USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=20 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 43 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.13) USER MOD Set 1.2: A 74 ASN : amide:sc= 0 K(o=-0.14,f=0.46) USER MOD Set 2.1: A 52 CYS SG : rot 70:sc= -1.16! USER MOD Set 2.2: A 59 MET CE :methyl 171:sc= 0 (180deg=-0.0708) USER MOD Set 3.1: A 42 THR OG1 : rot -178:sc= 0.582 USER MOD Set 3.2: A 46 LYS NZ :NH3+ -168:sc= 1.19 (180deg=0) USER MOD Set 4.1: A 32 SER OG : rot 174:sc= 1.29 USER MOD Set 4.2: A 55 GLN : amide:sc= 0.983 K(o=2.3,f=-1.2!) USER MOD Set 5.1: A 29 GLN : amide:sc= 0.373 K(o=0.44,f=-2.4!) USER MOD Set 5.2: A 51 TYR OH : rot -24:sc= 0.0723 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 148:sc= 1.25 (180deg=-0.275) USER MOD Single : A 31 SER OG : rot -52:sc= 0.931 USER MOD Single : A 35 HIS : no HD1:sc= 1.21 K(o=1.2,f=-4.1!) USER MOD Single : A 37 LYS NZ :NH3+ 146:sc= 1.26 (180deg=0.879) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -133:sc= -0.184 (180deg=-0.679) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.16) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 1.71 (180deg=1.53) USER MOD Single : A 50 SER OG : rot 113:sc= 1.2 USER MOD Single : A 53 GLN : amide:sc= -0.338 X(o=-0.34,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.247 X(o=0.25,f=-0.014) USER MOD Single : A 75 HIS : no HD1:sc= -0.45 K(o=-0.45,f=-2.2) USER MOD Single : A 76 THR OG1 : rot -139:sc= 1.31 USER MOD Single : A 78 LYS NZ :NH3+ -132:sc= 1.29 (180deg=0.185) USER MOD Single : A 82 MET CE :methyl 171:sc= 0 (180deg=-0.0295) USER MOD Single : A 91 TYR OH : rot -50:sc= 1.28 USER MOD Single : A 92 GLN : amide:sc= 0.354 X(o=0.35,f=0) USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 80.099 9.830 -12.968 1.00 0.00 N ATOM 291 CA TYR A 21 79.869 8.533 -12.334 1.00 0.00 C ATOM 292 C TYR A 21 78.989 8.684 -11.090 1.00 0.00 C ATOM 293 O TYR A 21 79.036 9.709 -10.406 1.00 0.00 O ATOM 294 CB TYR A 21 81.208 7.869 -11.973 1.00 0.00 C ATOM 295 CG TYR A 21 82.002 8.597 -10.905 1.00 0.00 C ATOM 296 CD1 TYR A 21 81.996 8.156 -9.586 1.00 0.00 C ATOM 297 CD2 TYR A 21 82.760 9.720 -11.216 1.00 0.00 C ATOM 298 CE1 TYR A 21 82.719 8.817 -8.610 1.00 0.00 C ATOM 299 CE2 TYR A 21 83.486 10.384 -10.246 1.00 0.00 C ATOM 300 CZ TYR A 21 83.462 9.927 -8.945 1.00 0.00 C ATOM 301 OH TYR A 21 84.185 10.586 -7.975 1.00 0.00 O ATOM 0 HA TYR A 21 79.345 7.893 -13.043 1.00 0.00 H new ATOM 0 HB2 TYR A 21 81.015 6.851 -11.634 1.00 0.00 H new ATOM 0 HB3 TYR A 21 81.817 7.795 -12.874 1.00 0.00 H new ATOM 0 HD1 TYR A 21 81.418 7.284 -9.320 1.00 0.00 H new ATOM 0 HD2 TYR A 21 82.782 10.080 -12.234 1.00 0.00 H new ATOM 0 HE1 TYR A 21 82.701 8.464 -7.589 1.00 0.00 H new ATOM 0 HE2 TYR A 21 84.069 11.256 -10.505 1.00 0.00 H new ATOM 0 HH TYR A 21 84.654 11.347 -8.377 1.00 0.00 H new ATOM 311 N ILE A 22 78.184 7.665 -10.803 1.00 0.00 N ATOM 312 CA ILE A 22 77.295 7.695 -9.642 1.00 0.00 C ATOM 313 C ILE A 22 77.594 6.542 -8.682 1.00 0.00 C ATOM 314 O ILE A 22 78.485 5.729 -8.926 1.00 0.00 O ATOM 315 CB ILE A 22 75.809 7.640 -10.058 1.00 0.00 C ATOM 316 CG1 ILE A 22 75.590 6.586 -11.148 1.00 0.00 C ATOM 317 CG2 ILE A 22 75.339 9.008 -10.533 1.00 0.00 C ATOM 318 CD1 ILE A 22 74.234 5.919 -11.077 1.00 0.00 C ATOM 0 H ILE A 22 78.128 6.810 -11.356 1.00 0.00 H new ATOM 0 HA ILE A 22 77.481 8.641 -9.133 1.00 0.00 H new ATOM 0 HB ILE A 22 75.219 7.356 -9.187 1.00 0.00 H new ATOM 0 HG12 ILE A 22 75.705 7.056 -12.125 1.00 0.00 H new ATOM 0 HG13 ILE A 22 76.366 5.824 -11.067 1.00 0.00 H new ATOM 0 HG21 ILE A 22 74.290 8.952 -10.823 1.00 0.00 H new ATOM 0 HG22 ILE A 22 75.455 9.733 -9.727 1.00 0.00 H new ATOM 0 HG23 ILE A 22 75.936 9.320 -11.390 1.00 0.00 H new ATOM 0 HD11 ILE A 22 74.147 5.185 -11.878 1.00 0.00 H new ATOM 0 HD12 ILE A 22 74.124 5.421 -10.114 1.00 0.00 H new ATOM 0 HD13 ILE A 22 73.453 6.671 -11.188 1.00 0.00 H new ATOM 330 N LYS A 23 76.842 6.477 -7.588 1.00 0.00 N ATOM 331 CA LYS A 23 77.031 5.425 -6.592 1.00 0.00 C ATOM 332 C LYS A 23 76.013 4.297 -6.772 1.00 0.00 C ATOM 333 O LYS A 23 74.852 4.421 -6.373 1.00 0.00 O ATOM 334 CB LYS A 23 76.924 5.997 -5.173 1.00 0.00 C ATOM 335 CG LYS A 23 77.726 7.273 -4.957 1.00 0.00 C ATOM 336 CD LYS A 23 77.306 7.984 -3.680 1.00 0.00 C ATOM 337 CE LYS A 23 78.029 9.311 -3.516 1.00 0.00 C ATOM 338 NZ LYS A 23 78.080 9.745 -2.091 1.00 0.00 N ATOM 0 H LYS A 23 76.097 7.138 -7.368 1.00 0.00 H new ATOM 0 HA LYS A 23 78.030 5.014 -6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 23 75.876 6.197 -4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 23 77.262 5.243 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 23 78.788 7.033 -4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 23 77.588 7.940 -5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 23 76.230 8.155 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 23 77.516 7.346 -2.822 1.00 0.00 H new ATOM 0 HE2 LYS A 23 79.043 9.222 -3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 23 77.526 10.074 -4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 78.581 10.654 -2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 77.112 9.855 -1.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 78.582 9.029 -1.528 1.00 0.00 H new ATOM 352 N LEU A 24 76.458 3.199 -7.376 1.00 0.00 N ATOM 353 CA LEU A 24 75.600 2.037 -7.599 1.00 0.00 C ATOM 354 C LEU A 24 75.408 1.265 -6.297 1.00 0.00 C ATOM 355 O LEU A 24 76.374 0.986 -5.586 1.00 0.00 O ATOM 356 CB LEU A 24 76.219 1.119 -8.661 1.00 0.00 C ATOM 357 CG LEU A 24 75.446 1.011 -9.980 1.00 0.00 C ATOM 358 CD1 LEU A 24 74.042 0.477 -9.742 1.00 0.00 C ATOM 359 CD2 LEU A 24 75.395 2.359 -10.683 1.00 0.00 C ATOM 0 H LEU A 24 77.411 3.088 -7.721 1.00 0.00 H new ATOM 0 HA LEU A 24 74.629 2.384 -7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 24 77.226 1.475 -8.880 1.00 0.00 H new ATOM 0 HB3 LEU A 24 76.319 0.120 -8.237 1.00 0.00 H new ATOM 0 HG LEU A 24 75.972 0.307 -10.625 1.00 0.00 H new ATOM 0 HD11 LEU A 24 73.513 0.409 -10.692 1.00 0.00 H new ATOM 0 HD12 LEU A 24 74.101 -0.512 -9.288 1.00 0.00 H new ATOM 0 HD13 LEU A 24 73.505 1.151 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 24 74.842 2.261 -11.617 1.00 0.00 H new ATOM 0 HD22 LEU A 24 74.897 3.086 -10.041 1.00 0.00 H new ATOM 0 HD23 LEU A 24 76.409 2.697 -10.895 1.00 0.00 H new ATOM 371 N LYS A 25 74.164 0.919 -5.984 1.00 0.00 N ATOM 372 CA LYS A 25 73.869 0.187 -4.755 1.00 0.00 C ATOM 373 C LYS A 25 73.315 -1.207 -5.037 1.00 0.00 C ATOM 374 O LYS A 25 72.255 -1.367 -5.649 1.00 0.00 O ATOM 375 CB LYS A 25 72.885 0.977 -3.891 1.00 0.00 C ATOM 376 CG LYS A 25 73.552 1.911 -2.896 1.00 0.00 C ATOM 377 CD LYS A 25 72.694 3.134 -2.612 1.00 0.00 C ATOM 378 CE LYS A 25 73.346 4.410 -3.128 1.00 0.00 C ATOM 379 NZ LYS A 25 72.904 4.741 -4.511 1.00 0.00 N ATOM 0 H LYS A 25 73.348 1.131 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 25 74.809 0.065 -4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 25 72.233 1.560 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 25 72.250 0.277 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 25 73.743 1.376 -1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 25 74.520 2.227 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 25 71.717 3.010 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 25 72.526 3.219 -1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 25 73.102 5.237 -2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 25 74.430 4.296 -3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 72.891 5.774 -4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 73.563 4.320 -5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 71.949 4.361 -4.671 1.00 0.00 H new ATOM 393 N VAL A 26 74.047 -2.215 -4.582 1.00 0.00 N ATOM 394 CA VAL A 26 73.649 -3.608 -4.755 1.00 0.00 C ATOM 395 C VAL A 26 73.317 -4.234 -3.397 1.00 0.00 C ATOM 396 O VAL A 26 74.071 -4.081 -2.434 1.00 0.00 O ATOM 397 CB VAL A 26 74.764 -4.433 -5.445 1.00 0.00 C ATOM 398 CG1 VAL A 26 74.418 -5.913 -5.479 1.00 0.00 C ATOM 399 CG2 VAL A 26 75.018 -3.917 -6.854 1.00 0.00 C ATOM 0 H VAL A 26 74.929 -2.093 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 26 72.765 -3.623 -5.393 1.00 0.00 H new ATOM 0 HB VAL A 26 75.675 -4.314 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 26 75.221 -6.463 -5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 26 74.295 -6.281 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 26 73.489 -6.057 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.804 -4.509 -7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 26 74.104 -3.999 -7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.328 -2.873 -6.809 1.00 0.00 H new ATOM 409 N ILE A 27 72.186 -4.932 -3.323 1.00 0.00 N ATOM 410 CA ILE A 27 71.762 -5.574 -2.080 1.00 0.00 C ATOM 411 C ILE A 27 72.080 -7.070 -2.108 1.00 0.00 C ATOM 412 O ILE A 27 71.505 -7.824 -2.896 1.00 0.00 O ATOM 413 CB ILE A 27 70.247 -5.384 -1.812 1.00 0.00 C ATOM 414 CG1 ILE A 27 69.834 -3.911 -1.952 1.00 0.00 C ATOM 415 CG2 ILE A 27 69.885 -5.897 -0.425 1.00 0.00 C ATOM 416 CD1 ILE A 27 68.755 -3.682 -2.989 1.00 0.00 C ATOM 0 H ILE A 27 71.548 -5.068 -4.107 1.00 0.00 H new ATOM 0 HA ILE A 27 72.317 -5.092 -1.275 1.00 0.00 H new ATOM 0 HB ILE A 27 69.703 -5.961 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 27 69.482 -3.547 -0.987 1.00 0.00 H new ATOM 0 HG13 ILE A 27 70.711 -3.319 -2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 27 68.818 -5.756 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 27 70.127 -6.957 -0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 27 70.450 -5.345 0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 27 68.513 -2.620 -3.034 1.00 0.00 H new ATOM 0 HD12 ILE A 27 69.111 -4.015 -3.964 1.00 0.00 H new ATOM 0 HD13 ILE A 27 67.863 -4.246 -2.717 1.00 0.00 H new ATOM 428 N GLY A 28 73.002 -7.488 -1.243 1.00 0.00 N ATOM 429 CA GLY A 28 73.391 -8.889 -1.180 1.00 0.00 C ATOM 430 C GLY A 28 72.355 -9.771 -0.495 1.00 0.00 C ATOM 431 O GLY A 28 71.395 -9.276 0.100 1.00 0.00 O ATOM 0 H GLY A 28 73.488 -6.881 -0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 28 73.560 -9.258 -2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 28 74.338 -8.972 -0.647 1.00 0.00 H new ATOM 435 N GLN A 29 72.573 -11.082 -0.555 1.00 0.00 N ATOM 436 CA GLN A 29 71.656 -12.053 0.048 1.00 0.00 C ATOM 437 C GLN A 29 71.680 -11.994 1.582 1.00 0.00 C ATOM 438 O GLN A 29 70.775 -12.493 2.246 1.00 0.00 O ATOM 439 CB GLN A 29 71.996 -13.471 -0.435 1.00 0.00 C ATOM 440 CG GLN A 29 73.210 -14.090 0.249 1.00 0.00 C ATOM 441 CD GLN A 29 74.512 -13.778 -0.466 1.00 0.00 C ATOM 442 OE1 GLN A 29 75.017 -12.661 -0.405 1.00 0.00 O ATOM 443 NE2 GLN A 29 75.065 -14.767 -1.147 1.00 0.00 N ATOM 0 H GLN A 29 73.380 -11.501 -1.017 1.00 0.00 H new ATOM 0 HA GLN A 29 70.647 -11.793 -0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 29 71.132 -14.116 -0.271 1.00 0.00 H new ATOM 0 HB3 GLN A 29 72.173 -13.444 -1.510 1.00 0.00 H new ATOM 0 HG2 GLN A 29 73.268 -13.726 1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 29 73.080 -15.171 0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 29 74.615 -15.682 -1.174 1.00 0.00 H new ATOM 0 HE22 GLN A 29 75.942 -14.615 -1.645 1.00 0.00 H new ATOM 452 N ASP A 30 72.721 -11.377 2.135 1.00 0.00 N ATOM 453 CA ASP A 30 72.855 -11.249 3.584 1.00 0.00 C ATOM 454 C ASP A 30 72.538 -9.822 4.046 1.00 0.00 C ATOM 455 O ASP A 30 73.031 -9.375 5.083 1.00 0.00 O ATOM 456 CB ASP A 30 74.272 -11.641 4.015 1.00 0.00 C ATOM 457 CG ASP A 30 74.325 -13.023 4.634 1.00 0.00 C ATOM 458 OD1 ASP A 30 74.487 -14.005 3.881 1.00 0.00 O ATOM 459 OD2 ASP A 30 74.204 -13.123 5.874 1.00 0.00 O ATOM 0 H ASP A 30 73.484 -10.958 1.603 1.00 0.00 H new ATOM 0 HA ASP A 30 72.137 -11.922 4.053 1.00 0.00 H new ATOM 0 HB2 ASP A 30 74.934 -11.607 3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 30 74.646 -10.910 4.732 1.00 0.00 H new ATOM 464 N SER A 31 71.715 -9.116 3.260 1.00 0.00 N ATOM 465 CA SER A 31 71.316 -7.732 3.561 1.00 0.00 C ATOM 466 C SER A 31 72.523 -6.785 3.546 1.00 0.00 C ATOM 467 O SER A 31 72.551 -5.776 4.255 1.00 0.00 O ATOM 468 CB SER A 31 70.593 -7.654 4.914 1.00 0.00 C ATOM 469 OG SER A 31 70.144 -6.336 5.179 1.00 0.00 O ATOM 0 H SER A 31 71.308 -9.485 2.401 1.00 0.00 H new ATOM 0 HA SER A 31 70.627 -7.412 2.779 1.00 0.00 H new ATOM 0 HB2 SER A 31 69.744 -8.338 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 31 71.265 -7.979 5.708 1.00 0.00 H new ATOM 0 HG SER A 31 70.891 -5.710 5.079 1.00 0.00 H new ATOM 475 N SER A 32 73.512 -7.115 2.723 1.00 0.00 N ATOM 476 CA SER A 32 74.723 -6.306 2.606 1.00 0.00 C ATOM 477 C SER A 32 74.574 -5.238 1.522 1.00 0.00 C ATOM 478 O SER A 32 74.203 -5.538 0.388 1.00 0.00 O ATOM 479 CB SER A 32 75.923 -7.204 2.286 1.00 0.00 C ATOM 480 OG SER A 32 75.504 -8.433 1.711 1.00 0.00 O ATOM 0 H SER A 32 73.500 -7.940 2.124 1.00 0.00 H new ATOM 0 HA SER A 32 74.886 -5.804 3.560 1.00 0.00 H new ATOM 0 HB2 SER A 32 76.594 -6.688 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 32 76.488 -7.399 3.197 1.00 0.00 H new ATOM 0 HG SER A 32 76.289 -8.947 1.430 1.00 0.00 H new ATOM 486 N GLU A 33 74.867 -3.991 1.883 1.00 0.00 N ATOM 487 CA GLU A 33 74.768 -2.876 0.942 1.00 0.00 C ATOM 488 C GLU A 33 76.155 -2.405 0.501 1.00 0.00 C ATOM 489 O GLU A 33 76.897 -1.811 1.283 1.00 0.00 O ATOM 490 CB GLU A 33 74.003 -1.713 1.584 1.00 0.00 C ATOM 491 CG GLU A 33 73.298 -0.814 0.579 1.00 0.00 C ATOM 492 CD GLU A 33 72.931 0.541 1.160 1.00 0.00 C ATOM 493 OE1 GLU A 33 73.760 1.475 1.059 1.00 0.00 O ATOM 494 OE2 GLU A 33 71.820 0.668 1.712 1.00 0.00 O ATOM 0 H GLU A 33 75.175 -3.726 2.819 1.00 0.00 H new ATOM 0 HA GLU A 33 74.227 -3.222 0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 33 73.265 -2.115 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 33 74.698 -1.112 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 33 73.942 -0.670 -0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.394 -1.310 0.226 1.00 0.00 H new ATOM 501 N ILE A 34 76.499 -2.668 -0.757 1.00 0.00 N ATOM 502 CA ILE A 34 77.800 -2.264 -1.292 1.00 0.00 C ATOM 503 C ILE A 34 77.655 -1.114 -2.286 1.00 0.00 C ATOM 504 O ILE A 34 76.745 -1.108 -3.117 1.00 0.00 O ATOM 505 CB ILE A 34 78.540 -3.440 -1.974 1.00 0.00 C ATOM 506 CG1 ILE A 34 78.262 -4.758 -1.238 1.00 0.00 C ATOM 507 CG2 ILE A 34 80.037 -3.162 -2.026 1.00 0.00 C ATOM 508 CD1 ILE A 34 79.016 -5.946 -1.800 1.00 0.00 C ATOM 0 H ILE A 34 75.900 -3.156 -1.423 1.00 0.00 H new ATOM 0 HA ILE A 34 78.393 -1.932 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 34 78.168 -3.536 -2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 34 78.524 -4.638 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 34 77.193 -4.967 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 34 80.546 -3.997 -2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 34 80.218 -2.250 -2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.420 -3.040 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 34 78.767 -6.839 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 34 78.736 -6.094 -2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 34 80.088 -5.760 -1.735 1.00 0.00 H new ATOM 520 N HIS A 35 78.556 -0.137 -2.190 1.00 0.00 N ATOM 521 CA HIS A 35 78.528 1.032 -3.074 1.00 0.00 C ATOM 522 C HIS A 35 79.609 0.936 -4.152 1.00 0.00 C ATOM 523 O HIS A 35 80.793 0.794 -3.847 1.00 0.00 O ATOM 524 CB HIS A 35 78.726 2.320 -2.265 1.00 0.00 C ATOM 525 CG HIS A 35 77.538 2.717 -1.439 1.00 0.00 C ATOM 526 ND1 HIS A 35 77.278 4.021 -1.072 1.00 0.00 N ATOM 527 CD2 HIS A 35 76.541 1.976 -0.897 1.00 0.00 C ATOM 528 CE1 HIS A 35 76.179 4.065 -0.343 1.00 0.00 C ATOM 529 NE2 HIS A 35 75.714 2.837 -0.222 1.00 0.00 N ATOM 0 H HIS A 35 79.316 -0.130 -1.509 1.00 0.00 H new ATOM 0 HA HIS A 35 77.553 1.055 -3.560 1.00 0.00 H new ATOM 0 HB2 HIS A 35 79.586 2.194 -1.607 1.00 0.00 H new ATOM 0 HB3 HIS A 35 78.966 3.133 -2.950 1.00 0.00 H new ATOM 0 HD2 HIS A 35 76.420 0.906 -0.981 1.00 0.00 H new ATOM 0 HE1 HIS A 35 75.736 4.954 0.082 1.00 0.00 H new ATOM 0 HE2 HIS A 35 74.874 2.570 0.291 1.00 0.00 H new ATOM 537 N PHE A 36 79.193 1.020 -5.411 1.00 0.00 N ATOM 538 CA PHE A 36 80.127 0.948 -6.535 1.00 0.00 C ATOM 539 C PHE A 36 80.135 2.252 -7.334 1.00 0.00 C ATOM 540 O PHE A 36 79.093 2.721 -7.785 1.00 0.00 O ATOM 541 CB PHE A 36 79.764 -0.225 -7.451 1.00 0.00 C ATOM 542 CG PHE A 36 79.859 -1.565 -6.780 1.00 0.00 C ATOM 543 CD1 PHE A 36 78.712 -2.266 -6.438 1.00 0.00 C ATOM 544 CD2 PHE A 36 81.093 -2.120 -6.484 1.00 0.00 C ATOM 545 CE1 PHE A 36 78.798 -3.498 -5.817 1.00 0.00 C ATOM 546 CE2 PHE A 36 81.184 -3.352 -5.864 1.00 0.00 C ATOM 547 CZ PHE A 36 80.035 -4.040 -5.529 1.00 0.00 C ATOM 0 H PHE A 36 78.217 1.138 -5.681 1.00 0.00 H new ATOM 0 HA PHE A 36 81.127 0.792 -6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 36 78.748 -0.085 -7.821 1.00 0.00 H new ATOM 0 HB3 PHE A 36 80.424 -0.215 -8.319 1.00 0.00 H new ATOM 0 HD1 PHE A 36 77.742 -1.845 -6.659 1.00 0.00 H new ATOM 0 HD2 PHE A 36 81.995 -1.584 -6.741 1.00 0.00 H new ATOM 0 HE1 PHE A 36 77.898 -4.036 -5.557 1.00 0.00 H new ATOM 0 HE2 PHE A 36 82.152 -3.776 -5.642 1.00 0.00 H new ATOM 0 HZ PHE A 36 80.104 -5.002 -5.042 1.00 0.00 H new ATOM 557 N LYS A 37 81.318 2.832 -7.508 1.00 0.00 N ATOM 558 CA LYS A 37 81.455 4.088 -8.253 1.00 0.00 C ATOM 559 C LYS A 37 81.597 3.825 -9.754 1.00 0.00 C ATOM 560 O LYS A 37 82.710 3.718 -10.278 1.00 0.00 O ATOM 561 CB LYS A 37 82.657 4.904 -7.749 1.00 0.00 C ATOM 562 CG LYS A 37 83.538 4.179 -6.735 1.00 0.00 C ATOM 563 CD LYS A 37 84.584 3.304 -7.417 1.00 0.00 C ATOM 564 CE LYS A 37 85.576 4.130 -8.224 1.00 0.00 C ATOM 565 NZ LYS A 37 85.379 3.955 -9.690 1.00 0.00 N ATOM 0 H LYS A 37 82.195 2.458 -7.147 1.00 0.00 H new ATOM 0 HA LYS A 37 80.547 4.667 -8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 37 83.270 5.189 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 37 82.290 5.826 -7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 37 84.035 4.910 -6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 37 82.915 3.563 -6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 37 85.120 2.726 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 37 84.087 2.590 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 37 85.467 5.183 -7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 37 86.592 3.840 -7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 85.595 4.848 -10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 86.013 3.208 -10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 84.392 3.687 -9.878 1.00 0.00 H new ATOM 579 N VAL A 38 80.463 3.727 -10.443 1.00 0.00 N ATOM 580 CA VAL A 38 80.453 3.469 -11.886 1.00 0.00 C ATOM 581 C VAL A 38 79.386 4.302 -12.599 1.00 0.00 C ATOM 582 O VAL A 38 78.696 5.116 -11.982 1.00 0.00 O ATOM 583 CB VAL A 38 80.208 1.975 -12.201 1.00 0.00 C ATOM 584 CG1 VAL A 38 81.523 1.214 -12.276 1.00 0.00 C ATOM 585 CG2 VAL A 38 79.277 1.342 -11.175 1.00 0.00 C ATOM 0 H VAL A 38 79.536 3.822 -10.027 1.00 0.00 H new ATOM 0 HA VAL A 38 81.439 3.754 -12.252 1.00 0.00 H new ATOM 0 HB VAL A 38 79.723 1.916 -13.176 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.324 0.166 -12.499 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.146 1.640 -13.062 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.042 1.290 -11.321 1.00 0.00 H new ATOM 0 HG21 VAL A 38 79.123 0.292 -11.422 1.00 0.00 H new ATOM 0 HG22 VAL A 38 79.722 1.420 -10.183 1.00 0.00 H new ATOM 0 HG23 VAL A 38 78.319 1.861 -11.184 1.00 0.00 H new ATOM 595 N LYS A 39 79.257 4.094 -13.906 1.00 0.00 N ATOM 596 CA LYS A 39 78.270 4.815 -14.704 1.00 0.00 C ATOM 597 C LYS A 39 77.015 3.961 -14.916 1.00 0.00 C ATOM 598 O LYS A 39 76.976 2.795 -14.526 1.00 0.00 O ATOM 599 CB LYS A 39 78.870 5.214 -16.056 1.00 0.00 C ATOM 600 CG LYS A 39 80.013 6.213 -15.944 1.00 0.00 C ATOM 601 CD LYS A 39 80.825 6.282 -17.227 1.00 0.00 C ATOM 602 CE LYS A 39 81.935 7.317 -17.129 1.00 0.00 C ATOM 603 NZ LYS A 39 82.920 7.183 -18.238 1.00 0.00 N ATOM 0 H LYS A 39 79.824 3.432 -14.435 1.00 0.00 H new ATOM 0 HA LYS A 39 77.986 5.717 -14.163 1.00 0.00 H new ATOM 0 HB2 LYS A 39 79.229 4.319 -16.563 1.00 0.00 H new ATOM 0 HB3 LYS A 39 78.085 5.641 -16.681 1.00 0.00 H new ATOM 0 HG2 LYS A 39 79.613 7.200 -15.713 1.00 0.00 H new ATOM 0 HG3 LYS A 39 80.663 5.931 -15.116 1.00 0.00 H new ATOM 0 HD2 LYS A 39 81.256 5.304 -17.439 1.00 0.00 H new ATOM 0 HD3 LYS A 39 80.169 6.529 -18.061 1.00 0.00 H new ATOM 0 HE2 LYS A 39 81.501 8.317 -17.148 1.00 0.00 H new ATOM 0 HE3 LYS A 39 82.448 7.210 -16.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.660 7.907 -18.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 83.353 6.238 -18.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 82.436 7.311 -19.150 1.00 0.00 H new ATOM 617 N MET A 40 75.992 4.543 -15.536 1.00 0.00 N ATOM 618 CA MET A 40 74.743 3.821 -15.784 1.00 0.00 C ATOM 619 C MET A 40 74.772 3.073 -17.124 1.00 0.00 C ATOM 620 O MET A 40 74.059 2.086 -17.306 1.00 0.00 O ATOM 621 CB MET A 40 73.556 4.787 -15.766 1.00 0.00 C ATOM 622 CG MET A 40 72.795 4.796 -14.447 1.00 0.00 C ATOM 623 SD MET A 40 71.219 3.915 -14.539 1.00 0.00 S ATOM 624 CE MET A 40 70.318 4.883 -15.753 1.00 0.00 C ATOM 0 H MET A 40 76.000 5.505 -15.874 1.00 0.00 H new ATOM 0 HA MET A 40 74.632 3.087 -14.986 1.00 0.00 H new ATOM 0 HB2 MET A 40 73.916 5.795 -15.975 1.00 0.00 H new ATOM 0 HB3 MET A 40 72.870 4.520 -16.570 1.00 0.00 H new ATOM 0 HG2 MET A 40 73.414 4.343 -13.673 1.00 0.00 H new ATOM 0 HG3 MET A 40 72.612 5.827 -14.146 1.00 0.00 H new ATOM 0 HE1 MET A 40 69.312 5.083 -15.385 1.00 0.00 H new ATOM 0 HE2 MET A 40 70.836 5.827 -15.923 1.00 0.00 H new ATOM 0 HE3 MET A 40 70.258 4.328 -16.689 1.00 0.00 H new ATOM 634 N THR A 41 75.593 3.545 -18.061 1.00 0.00 N ATOM 635 CA THR A 41 75.694 2.917 -19.379 1.00 0.00 C ATOM 636 C THR A 41 76.901 1.985 -19.485 1.00 0.00 C ATOM 637 O THR A 41 77.766 2.165 -20.342 1.00 0.00 O ATOM 638 CB THR A 41 75.782 3.974 -20.497 1.00 0.00 C ATOM 639 OG1 THR A 41 75.096 5.170 -20.105 1.00 0.00 O ATOM 640 CG2 THR A 41 75.182 3.436 -21.783 1.00 0.00 C ATOM 0 H THR A 41 76.196 4.357 -17.933 1.00 0.00 H new ATOM 0 HA THR A 41 74.786 2.327 -19.503 1.00 0.00 H new ATOM 0 HB THR A 41 76.833 4.207 -20.668 1.00 0.00 H new ATOM 0 HG1 THR A 41 75.160 5.834 -20.823 1.00 0.00 H new ATOM 0 HG21 THR A 41 75.252 4.195 -22.562 1.00 0.00 H new ATOM 0 HG22 THR A 41 75.727 2.545 -22.094 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.135 3.181 -21.617 1.00 0.00 H new ATOM 648 N THR A 42 76.961 0.991 -18.607 1.00 0.00 N ATOM 649 CA THR A 42 78.068 0.037 -18.613 1.00 0.00 C ATOM 650 C THR A 42 77.574 -1.400 -18.431 1.00 0.00 C ATOM 651 O THR A 42 76.466 -1.630 -17.948 1.00 0.00 O ATOM 652 CB THR A 42 79.104 0.378 -17.521 1.00 0.00 C ATOM 653 OG1 THR A 42 80.196 -0.549 -17.565 1.00 0.00 O ATOM 654 CG2 THR A 42 78.476 0.358 -16.135 1.00 0.00 C ATOM 0 H THR A 42 76.261 0.823 -17.884 1.00 0.00 H new ATOM 0 HA THR A 42 78.548 0.114 -19.588 1.00 0.00 H new ATOM 0 HB THR A 42 79.472 1.385 -17.718 1.00 0.00 H new ATOM 0 HG1 THR A 42 80.831 -0.341 -16.848 1.00 0.00 H new ATOM 0 HG21 THR A 42 79.232 0.602 -15.389 1.00 0.00 H new ATOM 0 HG22 THR A 42 77.671 1.092 -16.090 1.00 0.00 H new ATOM 0 HG23 THR A 42 78.074 -0.635 -15.932 1.00 0.00 H new ATOM 662 N HIS A 43 78.405 -2.363 -18.833 1.00 0.00 N ATOM 663 CA HIS A 43 78.065 -3.783 -18.721 1.00 0.00 C ATOM 664 C HIS A 43 78.006 -4.229 -17.258 1.00 0.00 C ATOM 665 O HIS A 43 78.775 -3.748 -16.424 1.00 0.00 O ATOM 666 CB HIS A 43 79.089 -4.633 -19.475 1.00 0.00 C ATOM 667 CG HIS A 43 78.855 -4.691 -20.953 1.00 0.00 C ATOM 668 ND1 HIS A 43 79.876 -4.702 -21.876 1.00 0.00 N ATOM 669 CD2 HIS A 43 77.709 -4.759 -21.672 1.00 0.00 C ATOM 670 CE1 HIS A 43 79.373 -4.772 -23.094 1.00 0.00 C ATOM 671 NE2 HIS A 43 78.056 -4.812 -23.001 1.00 0.00 N ATOM 0 H HIS A 43 79.323 -2.184 -19.241 1.00 0.00 H new ATOM 0 HA HIS A 43 77.078 -3.923 -19.163 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.086 -4.233 -19.290 1.00 0.00 H new ATOM 0 HB3 HIS A 43 79.072 -5.646 -19.074 1.00 0.00 H new ATOM 0 HD2 HIS A 43 76.705 -4.770 -21.274 1.00 0.00 H new ATOM 0 HE1 HIS A 43 79.942 -4.793 -24.012 1.00 0.00 H new ATOM 0 HE2 HIS A 43 77.405 -4.872 -23.784 1.00 0.00 H new ATOM 679 N LEU A 44 77.104 -5.162 -16.952 1.00 0.00 N ATOM 680 CA LEU A 44 76.948 -5.652 -15.582 1.00 0.00 C ATOM 681 C LEU A 44 78.138 -6.499 -15.105 1.00 0.00 C ATOM 682 O LEU A 44 78.282 -6.729 -13.907 1.00 0.00 O ATOM 683 CB LEU A 44 75.648 -6.448 -15.443 1.00 0.00 C ATOM 684 CG LEU A 44 74.568 -5.787 -14.576 1.00 0.00 C ATOM 685 CD1 LEU A 44 75.014 -5.711 -13.124 1.00 0.00 C ATOM 686 CD2 LEU A 44 74.230 -4.400 -15.102 1.00 0.00 C ATOM 0 H LEU A 44 76.474 -5.591 -17.629 1.00 0.00 H new ATOM 0 HA LEU A 44 76.910 -4.771 -14.942 1.00 0.00 H new ATOM 0 HB2 LEU A 44 75.238 -6.620 -16.438 1.00 0.00 H new ATOM 0 HB3 LEU A 44 75.882 -7.425 -15.021 1.00 0.00 H new ATOM 0 HG LEU A 44 73.670 -6.402 -14.627 1.00 0.00 H new ATOM 0 HD11 LEU A 44 74.233 -5.239 -12.528 1.00 0.00 H new ATOM 0 HD12 LEU A 44 75.200 -6.717 -12.747 1.00 0.00 H new ATOM 0 HD13 LEU A 44 75.929 -5.123 -13.055 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.462 -3.949 -14.473 1.00 0.00 H new ATOM 0 HD22 LEU A 44 75.124 -3.777 -15.086 1.00 0.00 H new ATOM 0 HD23 LEU A 44 73.861 -4.479 -16.125 1.00 0.00 H new ATOM 698 N LYS A 45 78.994 -6.957 -16.027 1.00 0.00 N ATOM 699 CA LYS A 45 80.156 -7.776 -15.663 1.00 0.00 C ATOM 700 C LYS A 45 81.085 -7.045 -14.680 1.00 0.00 C ATOM 701 O LYS A 45 81.731 -7.677 -13.847 1.00 0.00 O ATOM 702 CB LYS A 45 80.928 -8.202 -16.925 1.00 0.00 C ATOM 703 CG LYS A 45 81.911 -7.165 -17.453 1.00 0.00 C ATOM 704 CD LYS A 45 83.355 -7.596 -17.231 1.00 0.00 C ATOM 705 CE LYS A 45 83.767 -8.697 -18.194 1.00 0.00 C ATOM 706 NZ LYS A 45 84.643 -9.708 -17.539 1.00 0.00 N ATOM 0 H LYS A 45 78.904 -6.775 -17.027 1.00 0.00 H new ATOM 0 HA LYS A 45 79.786 -8.668 -15.158 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.473 -9.121 -16.708 1.00 0.00 H new ATOM 0 HB3 LYS A 45 80.210 -8.435 -17.711 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.737 -7.007 -18.517 1.00 0.00 H new ATOM 0 HG3 LYS A 45 81.735 -6.211 -16.957 1.00 0.00 H new ATOM 0 HD2 LYS A 45 84.015 -6.737 -17.356 1.00 0.00 H new ATOM 0 HD3 LYS A 45 83.477 -7.945 -16.206 1.00 0.00 H new ATOM 0 HE2 LYS A 45 82.877 -9.188 -18.587 1.00 0.00 H new ATOM 0 HE3 LYS A 45 84.290 -8.259 -19.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 84.874 -10.460 -18.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 85.520 -9.251 -17.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 84.147 -10.120 -16.723 1.00 0.00 H new ATOM 720 N LYS A 46 81.132 -5.715 -14.772 1.00 0.00 N ATOM 721 CA LYS A 46 81.973 -4.914 -13.887 1.00 0.00 C ATOM 722 C LYS A 46 81.398 -4.870 -12.469 1.00 0.00 C ATOM 723 O LYS A 46 82.142 -4.845 -11.489 1.00 0.00 O ATOM 724 CB LYS A 46 82.113 -3.491 -14.435 1.00 0.00 C ATOM 725 CG LYS A 46 82.984 -3.396 -15.680 1.00 0.00 C ATOM 726 CD LYS A 46 82.153 -3.123 -16.924 1.00 0.00 C ATOM 727 CE LYS A 46 83.006 -2.588 -18.063 1.00 0.00 C ATOM 728 NZ LYS A 46 82.797 -1.130 -18.278 1.00 0.00 N ATOM 0 H LYS A 46 80.598 -5.172 -15.450 1.00 0.00 H new ATOM 0 HA LYS A 46 82.956 -5.382 -13.844 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.122 -3.101 -14.666 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.534 -2.852 -13.659 1.00 0.00 H new ATOM 0 HG2 LYS A 46 83.719 -2.602 -15.551 1.00 0.00 H new ATOM 0 HG3 LYS A 46 83.539 -4.325 -15.809 1.00 0.00 H new ATOM 0 HD2 LYS A 46 81.658 -4.041 -17.240 1.00 0.00 H new ATOM 0 HD3 LYS A 46 81.369 -2.404 -16.687 1.00 0.00 H new ATOM 0 HE2 LYS A 46 84.058 -2.776 -17.847 1.00 0.00 H new ATOM 0 HE3 LYS A 46 82.767 -3.128 -18.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 83.233 -0.846 -19.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 81.778 -0.926 -18.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 83.235 -0.598 -17.499 1.00 0.00 H new ATOM 742 N LEU A 47 80.073 -4.863 -12.375 1.00 0.00 N ATOM 743 CA LEU A 47 79.384 -4.825 -11.083 1.00 0.00 C ATOM 744 C LEU A 47 79.231 -6.225 -10.478 1.00 0.00 C ATOM 745 O LEU A 47 79.548 -6.445 -9.306 1.00 0.00 O ATOM 746 CB LEU A 47 78.006 -4.182 -11.252 1.00 0.00 C ATOM 747 CG LEU A 47 77.961 -2.672 -11.023 1.00 0.00 C ATOM 748 CD1 LEU A 47 77.463 -1.955 -12.269 1.00 0.00 C ATOM 749 CD2 LEU A 47 77.079 -2.346 -9.830 1.00 0.00 C ATOM 0 H LEU A 47 79.448 -4.883 -13.181 1.00 0.00 H new ATOM 0 HA LEU A 47 79.990 -4.231 -10.399 1.00 0.00 H new ATOM 0 HB2 LEU A 47 77.646 -4.392 -12.259 1.00 0.00 H new ATOM 0 HB3 LEU A 47 77.312 -4.659 -10.560 1.00 0.00 H new ATOM 0 HG LEU A 47 78.972 -2.324 -10.812 1.00 0.00 H new ATOM 0 HD11 LEU A 47 77.438 -0.881 -12.085 1.00 0.00 H new ATOM 0 HD12 LEU A 47 78.133 -2.165 -13.102 1.00 0.00 H new ATOM 0 HD13 LEU A 47 76.460 -2.304 -12.513 1.00 0.00 H new ATOM 0 HD21 LEU A 47 77.056 -1.267 -9.679 1.00 0.00 H new ATOM 0 HD22 LEU A 47 76.068 -2.708 -10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 47 77.479 -2.829 -8.939 1.00 0.00 H new ATOM 761 N LYS A 48 78.751 -7.166 -11.292 1.00 0.00 N ATOM 762 CA LYS A 48 78.526 -8.550 -10.862 1.00 0.00 C ATOM 763 C LYS A 48 79.804 -9.219 -10.342 1.00 0.00 C ATOM 764 O LYS A 48 79.802 -9.815 -9.266 1.00 0.00 O ATOM 765 CB LYS A 48 77.955 -9.362 -12.032 1.00 0.00 C ATOM 766 CG LYS A 48 76.855 -10.334 -11.638 1.00 0.00 C ATOM 767 CD LYS A 48 75.695 -10.288 -12.622 1.00 0.00 C ATOM 768 CE LYS A 48 76.124 -10.708 -14.019 1.00 0.00 C ATOM 769 NZ LYS A 48 75.417 -11.938 -14.475 1.00 0.00 N ATOM 0 H LYS A 48 78.507 -6.992 -12.267 1.00 0.00 H new ATOM 0 HA LYS A 48 77.816 -8.525 -10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 48 77.565 -8.673 -12.781 1.00 0.00 H new ATOM 0 HB3 LYS A 48 78.765 -9.919 -12.503 1.00 0.00 H new ATOM 0 HG2 LYS A 48 77.259 -11.346 -11.596 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.495 -10.093 -10.638 1.00 0.00 H new ATOM 0 HD2 LYS A 48 74.897 -10.944 -12.274 1.00 0.00 H new ATOM 0 HD3 LYS A 48 75.286 -9.278 -12.655 1.00 0.00 H new ATOM 0 HE2 LYS A 48 75.926 -9.896 -14.718 1.00 0.00 H new ATOM 0 HE3 LYS A 48 77.200 -10.883 -14.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 75.834 -12.266 -15.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 75.514 -12.682 -13.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 74.409 -11.726 -14.620 1.00 0.00 H new ATOM 783 N GLU A 49 80.896 -9.108 -11.099 1.00 0.00 N ATOM 784 CA GLU A 49 82.171 -9.718 -10.700 1.00 0.00 C ATOM 785 C GLU A 49 82.795 -9.002 -9.497 1.00 0.00 C ATOM 786 O GLU A 49 83.609 -9.583 -8.776 1.00 0.00 O ATOM 787 CB GLU A 49 83.152 -9.719 -11.875 1.00 0.00 C ATOM 788 CG GLU A 49 82.918 -10.854 -12.863 1.00 0.00 C ATOM 789 CD GLU A 49 84.025 -10.975 -13.895 1.00 0.00 C ATOM 790 OE1 GLU A 49 83.918 -10.337 -14.967 1.00 0.00 O ATOM 791 OE2 GLU A 49 85.002 -11.711 -13.635 1.00 0.00 O ATOM 0 H GLU A 49 80.927 -8.606 -11.986 1.00 0.00 H new ATOM 0 HA GLU A 49 81.961 -10.746 -10.403 1.00 0.00 H new ATOM 0 HB2 GLU A 49 83.076 -8.768 -12.402 1.00 0.00 H new ATOM 0 HB3 GLU A 49 84.169 -9.789 -11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 49 82.833 -11.793 -12.316 1.00 0.00 H new ATOM 0 HG3 GLU A 49 81.968 -10.695 -13.373 1.00 0.00 H new ATOM 798 N SER A 50 82.405 -7.750 -9.274 1.00 0.00 N ATOM 799 CA SER A 50 82.939 -6.968 -8.157 1.00 0.00 C ATOM 800 C SER A 50 82.253 -7.340 -6.843 1.00 0.00 C ATOM 801 O SER A 50 82.914 -7.526 -5.824 1.00 0.00 O ATOM 802 CB SER A 50 82.771 -5.471 -8.416 1.00 0.00 C ATOM 803 OG SER A 50 83.680 -5.018 -9.404 1.00 0.00 O ATOM 0 H SER A 50 81.723 -7.254 -9.849 1.00 0.00 H new ATOM 0 HA SER A 50 84.001 -7.200 -8.074 1.00 0.00 H new ATOM 0 HB2 SER A 50 81.749 -5.267 -8.737 1.00 0.00 H new ATOM 0 HB3 SER A 50 82.931 -4.919 -7.490 1.00 0.00 H new ATOM 0 HG SER A 50 83.184 -4.746 -10.204 1.00 0.00 H new ATOM 809 N TYR A 51 80.925 -7.443 -6.883 1.00 0.00 N ATOM 810 CA TYR A 51 80.128 -7.793 -5.694 1.00 0.00 C ATOM 811 C TYR A 51 80.594 -9.111 -5.057 1.00 0.00 C ATOM 812 O TYR A 51 80.712 -9.208 -3.833 1.00 0.00 O ATOM 813 CB TYR A 51 78.627 -7.871 -6.055 1.00 0.00 C ATOM 814 CG TYR A 51 77.838 -8.875 -5.240 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.477 -8.609 -3.925 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.463 -10.094 -5.789 1.00 0.00 C ATOM 817 CE1 TYR A 51 76.764 -9.529 -3.182 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.749 -11.020 -5.051 1.00 0.00 C ATOM 819 CZ TYR A 51 76.404 -10.732 -3.748 1.00 0.00 C ATOM 820 OH TYR A 51 75.691 -11.653 -3.012 1.00 0.00 O ATOM 0 H TYR A 51 80.371 -7.290 -7.726 1.00 0.00 H new ATOM 0 HA TYR A 51 80.277 -7.003 -4.958 1.00 0.00 H new ATOM 0 HB2 TYR A 51 78.182 -6.885 -5.923 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.533 -8.124 -7.111 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.759 -7.668 -3.477 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.733 -10.323 -6.809 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.490 -9.306 -2.161 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.463 -11.963 -5.493 1.00 0.00 H new ATOM 0 HH TYR A 51 75.851 -11.503 -2.057 1.00 0.00 H new ATOM 830 N CYS A 52 80.880 -10.115 -5.886 1.00 0.00 N ATOM 831 CA CYS A 52 81.310 -11.422 -5.384 1.00 0.00 C ATOM 832 C CYS A 52 82.718 -11.365 -4.793 1.00 0.00 C ATOM 833 O CYS A 52 83.004 -12.018 -3.788 1.00 0.00 O ATOM 834 CB CYS A 52 81.261 -12.476 -6.495 1.00 0.00 C ATOM 835 SG CYS A 52 79.749 -12.434 -7.487 1.00 0.00 S ATOM 0 H CYS A 52 80.823 -10.050 -6.902 1.00 0.00 H new ATOM 0 HA CYS A 52 80.617 -11.703 -4.591 1.00 0.00 H new ATOM 0 HB2 CYS A 52 82.118 -12.335 -7.153 1.00 0.00 H new ATOM 0 HB3 CYS A 52 81.362 -13.465 -6.048 1.00 0.00 H new ATOM 0 HG CYS A 52 79.745 -11.365 -8.227 1.00 0.00 H new ATOM 841 N GLN A 53 83.590 -10.575 -5.416 1.00 0.00 N ATOM 842 CA GLN A 53 84.968 -10.431 -4.950 1.00 0.00 C ATOM 843 C GLN A 53 85.034 -9.656 -3.625 1.00 0.00 C ATOM 844 O GLN A 53 85.936 -9.872 -2.818 1.00 0.00 O ATOM 845 CB GLN A 53 85.819 -9.746 -6.035 1.00 0.00 C ATOM 846 CG GLN A 53 86.305 -8.350 -5.668 1.00 0.00 C ATOM 847 CD GLN A 53 87.031 -7.662 -6.808 1.00 0.00 C ATOM 848 OE1 GLN A 53 88.135 -8.048 -7.183 1.00 0.00 O ATOM 849 NE2 GLN A 53 86.417 -6.633 -7.367 1.00 0.00 N ATOM 0 H GLN A 53 83.367 -10.024 -6.245 1.00 0.00 H new ATOM 0 HA GLN A 53 85.373 -11.425 -4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 53 86.684 -10.373 -6.250 1.00 0.00 H new ATOM 0 HB3 GLN A 53 85.234 -9.684 -6.953 1.00 0.00 H new ATOM 0 HG2 GLN A 53 85.453 -7.741 -5.366 1.00 0.00 H new ATOM 0 HG3 GLN A 53 86.970 -8.416 -4.807 1.00 0.00 H new ATOM 0 HE21 GLN A 53 85.500 -6.341 -7.029 1.00 0.00 H new ATOM 0 HE22 GLN A 53 86.860 -6.131 -8.137 1.00 0.00 H new ATOM 858 N ARG A 54 84.071 -8.758 -3.409 1.00 0.00 N ATOM 859 CA ARG A 54 84.018 -7.962 -2.183 1.00 0.00 C ATOM 860 C ARG A 54 83.588 -8.817 -0.990 1.00 0.00 C ATOM 861 O ARG A 54 84.187 -8.747 0.083 1.00 0.00 O ATOM 862 CB ARG A 54 83.053 -6.785 -2.355 1.00 0.00 C ATOM 863 CG ARG A 54 83.645 -5.616 -3.126 1.00 0.00 C ATOM 864 CD ARG A 54 83.973 -4.447 -2.211 1.00 0.00 C ATOM 865 NE ARG A 54 85.299 -4.575 -1.613 1.00 0.00 N ATOM 866 CZ ARG A 54 86.054 -3.548 -1.259 1.00 0.00 C ATOM 867 NH1 ARG A 54 85.631 -2.319 -1.434 1.00 0.00 N ATOM 868 NH2 ARG A 54 87.235 -3.750 -0.726 1.00 0.00 N ATOM 0 H ARG A 54 83.317 -8.564 -4.068 1.00 0.00 H new ATOM 0 HA ARG A 54 85.020 -7.579 -1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 54 82.158 -7.133 -2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 54 82.739 -6.438 -1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.550 -5.940 -3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 54 82.941 -5.292 -3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 54 83.919 -3.517 -2.777 1.00 0.00 H new ATOM 0 HD3 ARG A 54 83.224 -4.383 -1.422 1.00 0.00 H new ATOM 0 HE ARG A 54 85.666 -5.514 -1.459 1.00 0.00 H new ATOM 0 HH11 ARG A 54 84.713 -2.149 -1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 54 86.220 -1.533 -1.158 1.00 0.00 H new ATOM 0 HH21 ARG A 54 87.574 -4.701 -0.583 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.814 -2.956 -0.454 1.00 0.00 H new ATOM 882 N GLN A 55 82.540 -9.612 -1.182 1.00 0.00 N ATOM 883 CA GLN A 55 82.036 -10.489 -0.117 1.00 0.00 C ATOM 884 C GLN A 55 82.922 -11.728 0.068 1.00 0.00 C ATOM 885 O GLN A 55 83.173 -12.154 1.196 1.00 0.00 O ATOM 886 CB GLN A 55 80.589 -10.918 -0.401 1.00 0.00 C ATOM 887 CG GLN A 55 79.654 -9.759 -0.709 1.00 0.00 C ATOM 888 CD GLN A 55 78.784 -9.375 0.474 1.00 0.00 C ATOM 889 OE1 GLN A 55 77.559 -9.458 0.415 1.00 0.00 O ATOM 890 NE2 GLN A 55 79.409 -8.950 1.560 1.00 0.00 N ATOM 0 H GLN A 55 82.022 -9.671 -2.059 1.00 0.00 H new ATOM 0 HA GLN A 55 82.061 -9.915 0.809 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.584 -11.610 -1.243 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.205 -11.463 0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 55 80.243 -8.895 -1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.016 -10.027 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 55 80.427 -8.894 1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 55 78.872 -8.678 2.384 1.00 0.00 H new ATOM 899 N GLY A 56 83.389 -12.310 -1.037 1.00 0.00 N ATOM 900 CA GLY A 56 84.237 -13.489 -0.960 1.00 0.00 C ATOM 901 C GLY A 56 83.469 -14.782 -1.173 1.00 0.00 C ATOM 902 O GLY A 56 83.657 -15.752 -0.438 1.00 0.00 O ATOM 0 H GLY A 56 83.195 -11.985 -1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 56 85.026 -13.413 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 56 84.724 -13.517 0.015 1.00 0.00 H new ATOM 906 N VAL A 57 82.605 -14.799 -2.184 1.00 0.00 N ATOM 907 CA VAL A 57 81.798 -15.984 -2.484 1.00 0.00 C ATOM 908 C VAL A 57 81.817 -16.313 -3.980 1.00 0.00 C ATOM 909 O VAL A 57 81.866 -15.410 -4.820 1.00 0.00 O ATOM 910 CB VAL A 57 80.327 -15.809 -2.033 1.00 0.00 C ATOM 911 CG1 VAL A 57 80.075 -16.549 -0.729 1.00 0.00 C ATOM 912 CG2 VAL A 57 79.963 -14.336 -1.895 1.00 0.00 C ATOM 0 H VAL A 57 82.444 -14.009 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 57 82.247 -16.806 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 57 79.687 -16.240 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 57 79.036 -16.414 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 57 80.277 -17.611 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 57 80.731 -16.153 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 57 78.924 -14.246 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.611 -13.869 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 57 80.093 -13.838 -2.856 1.00 0.00 H new ATOM 922 N PRO A 58 81.793 -17.617 -4.335 1.00 0.00 N ATOM 923 CA PRO A 58 81.795 -18.062 -5.739 1.00 0.00 C ATOM 924 C PRO A 58 80.537 -17.626 -6.496 1.00 0.00 C ATOM 925 O PRO A 58 79.456 -17.515 -5.917 1.00 0.00 O ATOM 926 CB PRO A 58 81.855 -19.595 -5.638 1.00 0.00 C ATOM 927 CG PRO A 58 82.311 -19.880 -4.250 1.00 0.00 C ATOM 928 CD PRO A 58 81.785 -18.758 -3.405 1.00 0.00 C ATOM 0 HA PRO A 58 82.626 -17.627 -6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 58 80.879 -20.040 -5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 58 82.545 -20.011 -6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 58 81.931 -20.841 -3.904 1.00 0.00 H new ATOM 0 HG3 PRO A 58 83.399 -19.930 -4.199 1.00 0.00 H new ATOM 0 HD2 PRO A 58 80.783 -18.968 -3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 58 82.417 -18.576 -2.536 1.00 0.00 H new ATOM 936 N MET A 59 80.680 -17.414 -7.803 1.00 0.00 N ATOM 937 CA MET A 59 79.559 -16.974 -8.644 1.00 0.00 C ATOM 938 C MET A 59 78.692 -18.147 -9.122 1.00 0.00 C ATOM 939 O MET A 59 78.022 -18.054 -10.151 1.00 0.00 O ATOM 940 CB MET A 59 80.086 -16.195 -9.852 1.00 0.00 C ATOM 941 CG MET A 59 81.081 -15.103 -9.492 1.00 0.00 C ATOM 942 SD MET A 59 81.718 -14.237 -10.940 1.00 0.00 S ATOM 943 CE MET A 59 80.307 -13.226 -11.376 1.00 0.00 C ATOM 0 H MET A 59 81.559 -17.539 -8.306 1.00 0.00 H new ATOM 0 HA MET A 59 78.929 -16.330 -8.031 1.00 0.00 H new ATOM 0 HB2 MET A 59 80.560 -16.892 -10.543 1.00 0.00 H new ATOM 0 HB3 MET A 59 79.244 -15.747 -10.379 1.00 0.00 H new ATOM 0 HG2 MET A 59 80.602 -14.385 -8.826 1.00 0.00 H new ATOM 0 HG3 MET A 59 81.913 -15.542 -8.941 1.00 0.00 H new ATOM 0 HE1 MET A 59 80.594 -12.517 -12.152 1.00 0.00 H new ATOM 0 HE2 MET A 59 79.503 -13.863 -11.745 1.00 0.00 H new ATOM 0 HE3 MET A 59 79.963 -12.682 -10.496 1.00 0.00 H new ATOM 953 N ASN A 60 78.705 -19.245 -8.376 1.00 0.00 N ATOM 954 CA ASN A 60 77.914 -20.425 -8.731 1.00 0.00 C ATOM 955 C ASN A 60 76.905 -20.779 -7.632 1.00 0.00 C ATOM 956 O ASN A 60 76.317 -21.857 -7.642 1.00 0.00 O ATOM 957 CB ASN A 60 78.837 -21.620 -8.995 1.00 0.00 C ATOM 958 CG ASN A 60 79.834 -21.350 -10.104 1.00 0.00 C ATOM 959 OD1 ASN A 60 80.937 -20.866 -9.861 1.00 0.00 O ATOM 960 ND2 ASN A 60 79.456 -21.660 -11.333 1.00 0.00 N ATOM 0 H ASN A 60 79.253 -19.346 -7.522 1.00 0.00 H new ATOM 0 HA ASN A 60 77.356 -20.189 -9.637 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.375 -21.869 -8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.234 -22.490 -9.257 1.00 0.00 H new ATOM 0 HD21 ASN A 60 80.088 -21.499 -12.117 1.00 0.00 H new ATOM 0 HD22 ASN A 60 78.532 -22.060 -11.497 1.00 0.00 H new ATOM 967 N SER A 61 76.711 -19.861 -6.687 1.00 0.00 N ATOM 968 CA SER A 61 75.778 -20.082 -5.581 1.00 0.00 C ATOM 969 C SER A 61 74.750 -18.950 -5.476 1.00 0.00 C ATOM 970 O SER A 61 73.643 -19.145 -4.969 1.00 0.00 O ATOM 971 CB SER A 61 76.551 -20.226 -4.262 1.00 0.00 C ATOM 972 OG SER A 61 76.110 -19.293 -3.288 1.00 0.00 O ATOM 0 H SER A 61 77.186 -18.959 -6.664 1.00 0.00 H new ATOM 0 HA SER A 61 75.233 -21.005 -5.780 1.00 0.00 H new ATOM 0 HB2 SER A 61 76.428 -21.238 -3.877 1.00 0.00 H new ATOM 0 HB3 SER A 61 77.616 -20.082 -4.447 1.00 0.00 H new ATOM 0 HG SER A 61 76.623 -19.415 -2.462 1.00 0.00 H new ATOM 978 N LEU A 62 75.114 -17.769 -5.975 1.00 0.00 N ATOM 979 CA LEU A 62 74.225 -16.609 -5.930 1.00 0.00 C ATOM 980 C LEU A 62 73.817 -16.158 -7.336 1.00 0.00 C ATOM 981 O LEU A 62 74.542 -16.382 -8.307 1.00 0.00 O ATOM 982 CB LEU A 62 74.896 -15.448 -5.186 1.00 0.00 C ATOM 983 CG LEU A 62 76.414 -15.340 -5.370 1.00 0.00 C ATOM 984 CD1 LEU A 62 76.757 -14.416 -6.530 1.00 0.00 C ATOM 985 CD2 LEU A 62 77.069 -14.850 -4.090 1.00 0.00 C ATOM 0 H LEU A 62 76.017 -17.591 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 62 73.324 -16.907 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.440 -14.515 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.682 -15.548 -4.122 1.00 0.00 H new ATOM 0 HG LEU A 62 76.800 -16.333 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.840 -14.356 -6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 62 76.320 -14.808 -7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 62 76.357 -13.421 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 62 78.147 -14.779 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 62 76.672 -13.868 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 62 76.859 -15.551 -3.282 1.00 0.00 H new ATOM 997 N ARG A 63 72.653 -15.523 -7.435 1.00 0.00 N ATOM 998 CA ARG A 63 72.147 -15.032 -8.716 1.00 0.00 C ATOM 999 C ARG A 63 71.650 -13.587 -8.598 1.00 0.00 C ATOM 1000 O ARG A 63 70.997 -13.218 -7.620 1.00 0.00 O ATOM 1001 CB ARG A 63 71.021 -15.934 -9.238 1.00 0.00 C ATOM 1002 CG ARG A 63 70.102 -16.475 -8.150 1.00 0.00 C ATOM 1003 CD ARG A 63 68.708 -16.759 -8.686 1.00 0.00 C ATOM 1004 NE ARG A 63 67.791 -17.180 -7.629 1.00 0.00 N ATOM 1005 CZ ARG A 63 66.767 -17.999 -7.822 1.00 0.00 C ATOM 1006 NH1 ARG A 63 66.517 -18.487 -9.013 1.00 0.00 N ATOM 1007 NH2 ARG A 63 65.994 -18.331 -6.818 1.00 0.00 N ATOM 0 H ARG A 63 72.040 -15.335 -6.642 1.00 0.00 H new ATOM 0 HA ARG A 63 72.973 -15.054 -9.427 1.00 0.00 H new ATOM 0 HB2 ARG A 63 70.424 -15.373 -9.957 1.00 0.00 H new ATOM 0 HB3 ARG A 63 71.462 -16.773 -9.776 1.00 0.00 H new ATOM 0 HG2 ARG A 63 70.527 -17.389 -7.736 1.00 0.00 H new ATOM 0 HG3 ARG A 63 70.039 -15.755 -7.334 1.00 0.00 H new ATOM 0 HD2 ARG A 63 68.317 -15.865 -9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 63 68.764 -17.536 -9.448 1.00 0.00 H new ATOM 0 HE ARG A 63 67.948 -16.822 -6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 63 67.113 -18.237 -9.802 1.00 0.00 H new ATOM 0 HH12 ARG A 63 65.726 -19.117 -9.151 1.00 0.00 H new ATOM 0 HH21 ARG A 63 66.180 -17.959 -5.887 1.00 0.00 H new ATOM 0 HH22 ARG A 63 65.206 -18.961 -6.968 1.00 0.00 H new ATOM 1021 N LEU A 64 71.969 -12.775 -9.602 1.00 0.00 N ATOM 1022 CA LEU A 64 71.556 -11.368 -9.621 1.00 0.00 C ATOM 1023 C LEU A 64 70.316 -11.185 -10.500 1.00 0.00 C ATOM 1024 O LEU A 64 70.313 -11.567 -11.673 1.00 0.00 O ATOM 1025 CB LEU A 64 72.708 -10.476 -10.115 1.00 0.00 C ATOM 1026 CG LEU A 64 73.664 -9.990 -9.020 1.00 0.00 C ATOM 1027 CD1 LEU A 64 74.753 -11.020 -8.756 1.00 0.00 C ATOM 1028 CD2 LEU A 64 74.278 -8.652 -9.403 1.00 0.00 C ATOM 0 H LEU A 64 72.512 -13.064 -10.415 1.00 0.00 H new ATOM 0 HA LEU A 64 71.302 -11.068 -8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 64 73.282 -11.028 -10.859 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.285 -9.607 -10.619 1.00 0.00 H new ATOM 0 HG LEU A 64 73.091 -9.858 -8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 64 75.419 -10.653 -7.975 1.00 0.00 H new ATOM 0 HD12 LEU A 64 74.298 -11.956 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 64 75.323 -11.189 -9.670 1.00 0.00 H new ATOM 0 HD21 LEU A 64 74.954 -8.323 -8.614 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.833 -8.760 -10.335 1.00 0.00 H new ATOM 0 HD23 LEU A 64 73.487 -7.913 -9.535 1.00 0.00 H new ATOM 1040 N LEU A 65 69.262 -10.604 -9.929 1.00 0.00 N ATOM 1041 CA LEU A 65 68.011 -10.399 -10.667 1.00 0.00 C ATOM 1042 C LEU A 65 67.361 -9.043 -10.354 1.00 0.00 C ATOM 1043 O LEU A 65 67.629 -8.430 -9.319 1.00 0.00 O ATOM 1044 CB LEU A 65 67.033 -11.585 -10.430 1.00 0.00 C ATOM 1045 CG LEU A 65 66.167 -11.607 -9.144 1.00 0.00 C ATOM 1046 CD1 LEU A 65 66.935 -11.160 -7.910 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.900 -10.778 -9.319 1.00 0.00 C ATOM 0 H LEU A 65 69.246 -10.268 -8.966 1.00 0.00 H new ATOM 0 HA LEU A 65 68.257 -10.375 -11.729 1.00 0.00 H new ATOM 0 HB2 LEU A 65 66.355 -11.626 -11.283 1.00 0.00 H new ATOM 0 HB3 LEU A 65 67.621 -12.503 -10.445 1.00 0.00 H new ATOM 0 HG LEU A 65 65.883 -12.647 -8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 65 66.279 -11.196 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.785 -11.823 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 65 67.292 -10.140 -8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 65 64.313 -10.812 -8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 65 65.169 -9.745 -9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 65 64.311 -11.183 -10.142 1.00 0.00 H new ATOM 1059 N PHE A 66 66.517 -8.575 -11.272 1.00 0.00 N ATOM 1060 CA PHE A 66 65.824 -7.300 -11.097 1.00 0.00 C ATOM 1061 C PHE A 66 64.375 -7.382 -11.584 1.00 0.00 C ATOM 1062 O PHE A 66 64.122 -7.737 -12.734 1.00 0.00 O ATOM 1063 CB PHE A 66 66.563 -6.182 -11.842 1.00 0.00 C ATOM 1064 CG PHE A 66 65.931 -4.828 -11.674 1.00 0.00 C ATOM 1065 CD1 PHE A 66 65.845 -4.238 -10.422 1.00 0.00 C ATOM 1066 CD2 PHE A 66 65.420 -4.149 -12.769 1.00 0.00 C ATOM 1067 CE1 PHE A 66 65.258 -2.998 -10.266 1.00 0.00 C ATOM 1068 CE2 PHE A 66 64.832 -2.908 -12.618 1.00 0.00 C ATOM 1069 CZ PHE A 66 64.751 -2.331 -11.365 1.00 0.00 C ATOM 0 H PHE A 66 66.297 -9.058 -12.143 1.00 0.00 H new ATOM 0 HA PHE A 66 65.813 -7.073 -10.031 1.00 0.00 H new ATOM 0 HB2 PHE A 66 67.593 -6.140 -11.488 1.00 0.00 H new ATOM 0 HB3 PHE A 66 66.601 -6.427 -12.903 1.00 0.00 H new ATOM 0 HD1 PHE A 66 66.241 -4.754 -9.560 1.00 0.00 H new ATOM 0 HD2 PHE A 66 65.482 -4.595 -13.751 1.00 0.00 H new ATOM 0 HE1 PHE A 66 65.195 -2.550 -9.286 1.00 0.00 H new ATOM 0 HE2 PHE A 66 64.436 -2.389 -13.479 1.00 0.00 H new ATOM 0 HZ PHE A 66 64.292 -1.361 -11.245 1.00 0.00 H new ATOM 1079 N GLU A 67 63.440 -7.059 -10.681 1.00 0.00 N ATOM 1080 CA GLU A 67 61.988 -7.064 -10.954 1.00 0.00 C ATOM 1081 C GLU A 67 61.490 -8.344 -11.658 1.00 0.00 C ATOM 1082 O GLU A 67 60.520 -8.309 -12.417 1.00 0.00 O ATOM 1083 CB GLU A 67 61.570 -5.798 -11.737 1.00 0.00 C ATOM 1084 CG GLU A 67 61.929 -5.801 -13.221 1.00 0.00 C ATOM 1085 CD GLU A 67 60.727 -5.553 -14.115 1.00 0.00 C ATOM 1086 OE1 GLU A 67 59.832 -4.779 -13.712 1.00 0.00 O ATOM 1087 OE2 GLU A 67 60.687 -6.128 -15.224 1.00 0.00 O ATOM 0 H GLU A 67 63.669 -6.783 -9.726 1.00 0.00 H new ATOM 0 HA GLU A 67 61.500 -7.055 -9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 67 60.492 -5.671 -11.641 1.00 0.00 H new ATOM 0 HB3 GLU A 67 62.036 -4.931 -11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 67 62.681 -5.035 -13.410 1.00 0.00 H new ATOM 0 HG3 GLU A 67 62.378 -6.760 -13.480 1.00 0.00 H new ATOM 1094 N GLY A 68 62.140 -9.473 -11.383 1.00 0.00 N ATOM 1095 CA GLY A 68 61.728 -10.733 -11.989 1.00 0.00 C ATOM 1096 C GLY A 68 62.599 -11.173 -13.158 1.00 0.00 C ATOM 1097 O GLY A 68 62.587 -12.345 -13.535 1.00 0.00 O ATOM 0 H GLY A 68 62.941 -9.540 -10.755 1.00 0.00 H new ATOM 0 HA2 GLY A 68 61.741 -11.512 -11.227 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.698 -10.639 -12.332 1.00 0.00 H new ATOM 1101 N GLN A 69 63.358 -10.247 -13.735 1.00 0.00 N ATOM 1102 CA GLN A 69 64.226 -10.572 -14.866 1.00 0.00 C ATOM 1103 C GLN A 69 65.650 -10.883 -14.401 1.00 0.00 C ATOM 1104 O GLN A 69 66.128 -10.326 -13.409 1.00 0.00 O ATOM 1105 CB GLN A 69 64.223 -9.425 -15.894 1.00 0.00 C ATOM 1106 CG GLN A 69 65.347 -8.412 -15.716 1.00 0.00 C ATOM 1107 CD GLN A 69 65.099 -7.118 -16.466 1.00 0.00 C ATOM 1108 OE1 GLN A 69 65.066 -7.096 -17.694 1.00 0.00 O ATOM 1109 NE2 GLN A 69 64.923 -6.032 -15.733 1.00 0.00 N ATOM 0 H GLN A 69 63.391 -9.271 -13.442 1.00 0.00 H new ATOM 0 HA GLN A 69 63.833 -11.468 -15.347 1.00 0.00 H new ATOM 0 HB2 GLN A 69 64.291 -9.851 -16.895 1.00 0.00 H new ATOM 0 HB3 GLN A 69 63.268 -8.903 -15.834 1.00 0.00 H new ATOM 0 HG2 GLN A 69 65.468 -8.194 -14.655 1.00 0.00 H new ATOM 0 HG3 GLN A 69 66.283 -8.852 -16.060 1.00 0.00 H new ATOM 0 HE21 GLN A 69 64.958 -6.092 -14.715 1.00 0.00 H new ATOM 0 HE22 GLN A 69 64.752 -5.134 -16.185 1.00 0.00 H new ATOM 1118 N ARG A 70 66.319 -11.786 -15.112 1.00 0.00 N ATOM 1119 CA ARG A 70 67.690 -12.166 -14.775 1.00 0.00 C ATOM 1120 C ARG A 70 68.683 -11.121 -15.290 1.00 0.00 C ATOM 1121 O ARG A 70 68.434 -10.457 -16.300 1.00 0.00 O ATOM 1122 CB ARG A 70 68.022 -13.554 -15.343 1.00 0.00 C ATOM 1123 CG ARG A 70 68.208 -13.587 -16.853 1.00 0.00 C ATOM 1124 CD ARG A 70 67.598 -14.841 -17.465 1.00 0.00 C ATOM 1125 NE ARG A 70 68.113 -15.100 -18.808 1.00 0.00 N ATOM 1126 CZ ARG A 70 68.125 -16.296 -19.375 1.00 0.00 C ATOM 1127 NH1 ARG A 70 67.665 -17.344 -18.735 1.00 0.00 N ATOM 1128 NH2 ARG A 70 68.602 -16.445 -20.587 1.00 0.00 N ATOM 0 H ARG A 70 65.936 -12.269 -15.925 1.00 0.00 H new ATOM 0 HA ARG A 70 67.774 -12.211 -13.689 1.00 0.00 H new ATOM 0 HB2 ARG A 70 68.933 -13.919 -14.869 1.00 0.00 H new ATOM 0 HB3 ARG A 70 67.223 -14.245 -15.072 1.00 0.00 H new ATOM 0 HG2 ARG A 70 67.748 -12.704 -17.296 1.00 0.00 H new ATOM 0 HG3 ARG A 70 69.271 -13.546 -17.090 1.00 0.00 H new ATOM 0 HD2 ARG A 70 67.809 -15.697 -16.824 1.00 0.00 H new ATOM 0 HD3 ARG A 70 66.514 -14.734 -17.507 1.00 0.00 H new ATOM 0 HE ARG A 70 68.485 -14.313 -19.340 1.00 0.00 H new ATOM 0 HH11 ARG A 70 67.293 -17.242 -17.791 1.00 0.00 H new ATOM 0 HH12 ARG A 70 67.679 -18.261 -19.182 1.00 0.00 H new ATOM 0 HH21 ARG A 70 68.965 -15.638 -21.095 1.00 0.00 H new ATOM 0 HH22 ARG A 70 68.610 -17.368 -21.022 1.00 0.00 H new ATOM 1142 N ILE A 71 69.804 -10.969 -14.596 1.00 0.00 N ATOM 1143 CA ILE A 71 70.806 -9.985 -14.996 1.00 0.00 C ATOM 1144 C ILE A 71 72.021 -10.645 -15.658 1.00 0.00 C ATOM 1145 O ILE A 71 72.759 -11.419 -15.036 1.00 0.00 O ATOM 1146 CB ILE A 71 71.252 -9.105 -13.796 1.00 0.00 C ATOM 1147 CG1 ILE A 71 70.303 -7.916 -13.626 1.00 0.00 C ATOM 1148 CG2 ILE A 71 72.678 -8.600 -13.976 1.00 0.00 C ATOM 1149 CD1 ILE A 71 70.005 -7.585 -12.182 1.00 0.00 C ATOM 0 H ILE A 71 70.042 -11.507 -13.763 1.00 0.00 H new ATOM 0 HA ILE A 71 70.333 -9.338 -15.735 1.00 0.00 H new ATOM 0 HB ILE A 71 71.219 -9.727 -12.901 1.00 0.00 H new ATOM 0 HG12 ILE A 71 70.739 -7.041 -14.109 1.00 0.00 H new ATOM 0 HG13 ILE A 71 69.367 -8.131 -14.142 1.00 0.00 H new ATOM 0 HG21 ILE A 71 72.958 -7.988 -13.119 1.00 0.00 H new ATOM 0 HG22 ILE A 71 73.358 -9.449 -14.053 1.00 0.00 H new ATOM 0 HG23 ILE A 71 72.740 -8.002 -14.885 1.00 0.00 H new ATOM 0 HD11 ILE A 71 69.327 -6.733 -12.137 1.00 0.00 H new ATOM 0 HD12 ILE A 71 69.540 -8.445 -11.700 1.00 0.00 H new ATOM 0 HD13 ILE A 71 70.933 -7.338 -11.666 1.00 0.00 H new ATOM 1161 N ALA A 72 72.195 -10.355 -16.941 1.00 0.00 N ATOM 1162 CA ALA A 72 73.322 -10.878 -17.707 1.00 0.00 C ATOM 1163 C ALA A 72 74.492 -9.886 -17.713 1.00 0.00 C ATOM 1164 O ALA A 72 74.304 -8.685 -17.519 1.00 0.00 O ATOM 1165 CB ALA A 72 72.892 -11.201 -19.132 1.00 0.00 C ATOM 0 H ALA A 72 71.566 -9.757 -17.477 1.00 0.00 H new ATOM 0 HA ALA A 72 73.660 -11.796 -17.227 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.744 -11.590 -19.690 1.00 0.00 H new ATOM 0 HB2 ALA A 72 72.099 -11.949 -19.112 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.525 -10.296 -19.615 1.00 0.00 H new ATOM 1171 N ASP A 73 75.692 -10.403 -17.962 1.00 0.00 N ATOM 1172 CA ASP A 73 76.911 -9.596 -17.987 1.00 0.00 C ATOM 1173 C ASP A 73 76.941 -8.624 -19.175 1.00 0.00 C ATOM 1174 O ASP A 73 77.673 -7.634 -19.157 1.00 0.00 O ATOM 1175 CB ASP A 73 78.133 -10.518 -18.042 1.00 0.00 C ATOM 1176 CG ASP A 73 78.229 -11.438 -16.839 1.00 0.00 C ATOM 1177 OD1 ASP A 73 77.366 -12.337 -16.707 1.00 0.00 O ATOM 1178 OD2 ASP A 73 79.166 -11.266 -16.033 1.00 0.00 O ATOM 0 H ASP A 73 75.848 -11.393 -18.152 1.00 0.00 H new ATOM 0 HA ASP A 73 76.930 -8.998 -17.076 1.00 0.00 H new ATOM 0 HB2 ASP A 73 78.089 -11.119 -18.951 1.00 0.00 H new ATOM 0 HB3 ASP A 73 79.037 -9.912 -18.104 1.00 0.00 H new ATOM 1183 N ASN A 74 76.136 -8.905 -20.198 1.00 0.00 N ATOM 1184 CA ASN A 74 76.089 -8.050 -21.389 1.00 0.00 C ATOM 1185 C ASN A 74 74.901 -7.084 -21.345 1.00 0.00 C ATOM 1186 O ASN A 74 74.401 -6.648 -22.381 1.00 0.00 O ATOM 1187 CB ASN A 74 76.033 -8.893 -22.671 1.00 0.00 C ATOM 1188 CG ASN A 74 77.320 -8.807 -23.468 1.00 0.00 C ATOM 1189 OD1 ASN A 74 77.800 -7.721 -23.781 1.00 0.00 O ATOM 1190 ND2 ASN A 74 77.888 -9.956 -23.799 1.00 0.00 N ATOM 0 H ASN A 74 75.511 -9.711 -20.230 1.00 0.00 H new ATOM 0 HA ASN A 74 77.006 -7.461 -21.396 1.00 0.00 H new ATOM 0 HB2 ASN A 74 75.837 -9.933 -22.412 1.00 0.00 H new ATOM 0 HB3 ASN A 74 75.201 -8.556 -23.290 1.00 0.00 H new ATOM 0 HD21 ASN A 74 78.757 -9.960 -24.334 1.00 0.00 H new ATOM 0 HD22 ASN A 74 77.457 -10.837 -23.519 1.00 0.00 H new ATOM 1197 N HIS A 75 74.451 -6.752 -20.137 1.00 0.00 N ATOM 1198 CA HIS A 75 73.324 -5.837 -19.959 1.00 0.00 C ATOM 1199 C HIS A 75 73.751 -4.564 -19.232 1.00 0.00 C ATOM 1200 O HIS A 75 74.803 -4.522 -18.597 1.00 0.00 O ATOM 1201 CB HIS A 75 72.214 -6.512 -19.154 1.00 0.00 C ATOM 1202 CG HIS A 75 71.341 -7.432 -19.953 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.589 -8.437 -19.383 1.00 0.00 N ATOM 1204 CD2 HIS A 75 71.085 -7.489 -21.284 1.00 0.00 C ATOM 1205 CE1 HIS A 75 69.908 -9.070 -20.321 1.00 0.00 C ATOM 1206 NE2 HIS A 75 70.193 -8.515 -21.485 1.00 0.00 N ATOM 0 H HIS A 75 74.849 -7.103 -19.266 1.00 0.00 H new ATOM 0 HA HIS A 75 72.959 -5.574 -20.952 1.00 0.00 H new ATOM 0 HB2 HIS A 75 72.666 -7.077 -18.338 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.590 -5.741 -18.701 1.00 0.00 H new ATOM 0 HD2 HIS A 75 71.504 -6.847 -22.045 1.00 0.00 H new ATOM 0 HE1 HIS A 75 69.234 -9.899 -20.163 1.00 0.00 H new ATOM 0 HE2 HIS A 75 69.813 -8.801 -22.387 1.00 0.00 H new ATOM 1214 N THR A 76 72.923 -3.527 -19.336 1.00 0.00 N ATOM 1215 CA THR A 76 73.187 -2.250 -18.672 1.00 0.00 C ATOM 1216 C THR A 76 71.971 -1.829 -17.845 1.00 0.00 C ATOM 1217 O THR A 76 70.835 -2.124 -18.222 1.00 0.00 O ATOM 1218 CB THR A 76 73.514 -1.120 -19.679 1.00 0.00 C ATOM 1219 OG1 THR A 76 72.303 -0.538 -20.181 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.355 -1.632 -20.841 1.00 0.00 C ATOM 0 H THR A 76 72.058 -3.546 -19.877 1.00 0.00 H new ATOM 0 HA THR A 76 74.056 -2.400 -18.031 1.00 0.00 H new ATOM 0 HB THR A 76 74.091 -0.363 -19.148 1.00 0.00 H new ATOM 0 HG1 THR A 76 72.397 -0.363 -21.141 1.00 0.00 H new ATOM 0 HG21 THR A 76 74.565 -0.812 -21.527 1.00 0.00 H new ATOM 0 HG22 THR A 76 75.293 -2.036 -20.461 1.00 0.00 H new ATOM 0 HG23 THR A 76 73.810 -2.415 -21.368 1.00 0.00 H new ATOM 1228 N PRO A 77 72.183 -1.145 -16.701 1.00 0.00 N ATOM 1229 CA PRO A 77 71.079 -0.681 -15.839 1.00 0.00 C ATOM 1230 C PRO A 77 70.084 0.204 -16.593 1.00 0.00 C ATOM 1231 O PRO A 77 68.877 0.153 -16.345 1.00 0.00 O ATOM 1232 CB PRO A 77 71.787 0.127 -14.750 1.00 0.00 C ATOM 1233 CG PRO A 77 73.186 -0.386 -14.733 1.00 0.00 C ATOM 1234 CD PRO A 77 73.500 -0.782 -16.151 1.00 0.00 C ATOM 0 HA PRO A 77 70.489 -1.514 -15.455 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.761 1.194 -14.971 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.305 -0.010 -13.782 1.00 0.00 H new ATOM 0 HG2 PRO A 77 73.878 0.379 -14.379 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.281 -1.238 -14.060 1.00 0.00 H new ATOM 0 HD2 PRO A 77 73.956 0.038 -16.706 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.197 -1.619 -16.190 1.00 0.00 H new ATOM 1242 N LYS A 78 70.607 1.004 -17.522 1.00 0.00 N ATOM 1243 CA LYS A 78 69.784 1.902 -18.333 1.00 0.00 C ATOM 1244 C LYS A 78 68.818 1.118 -19.232 1.00 0.00 C ATOM 1245 O LYS A 78 67.667 1.514 -19.416 1.00 0.00 O ATOM 1246 CB LYS A 78 70.692 2.799 -19.183 1.00 0.00 C ATOM 1247 CG LYS A 78 69.944 3.717 -20.138 1.00 0.00 C ATOM 1248 CD LYS A 78 70.898 4.458 -21.062 1.00 0.00 C ATOM 1249 CE LYS A 78 71.330 3.592 -22.236 1.00 0.00 C ATOM 1250 NZ LYS A 78 70.275 3.501 -23.284 1.00 0.00 N ATOM 0 H LYS A 78 71.604 1.048 -17.733 1.00 0.00 H new ATOM 0 HA LYS A 78 69.184 2.518 -17.664 1.00 0.00 H new ATOM 0 HB2 LYS A 78 71.307 3.407 -18.520 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.370 2.169 -19.759 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.242 3.132 -20.732 1.00 0.00 H new ATOM 0 HG3 LYS A 78 69.356 4.436 -19.567 1.00 0.00 H new ATOM 0 HD2 LYS A 78 70.416 5.362 -21.434 1.00 0.00 H new ATOM 0 HD3 LYS A 78 71.777 4.774 -20.500 1.00 0.00 H new ATOM 0 HE2 LYS A 78 72.240 4.003 -22.673 1.00 0.00 H new ATOM 0 HE3 LYS A 78 71.572 2.591 -21.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 70.141 2.506 -23.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 69.382 3.881 -22.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 70.565 4.052 -24.117 1.00 0.00 H new ATOM 1264 N GLU A 79 69.289 0.000 -19.782 1.00 0.00 N ATOM 1265 CA GLU A 79 68.465 -0.828 -20.661 1.00 0.00 C ATOM 1266 C GLU A 79 67.603 -1.815 -19.866 1.00 0.00 C ATOM 1267 O GLU A 79 66.529 -2.212 -20.317 1.00 0.00 O ATOM 1268 CB GLU A 79 69.350 -1.587 -21.654 1.00 0.00 C ATOM 1269 CG GLU A 79 69.359 -0.980 -23.050 1.00 0.00 C ATOM 1270 CD GLU A 79 70.576 -0.113 -23.309 1.00 0.00 C ATOM 1271 OE1 GLU A 79 71.661 -0.429 -22.766 1.00 0.00 O ATOM 1272 OE2 GLU A 79 70.448 0.885 -24.051 1.00 0.00 O ATOM 0 H GLU A 79 70.235 -0.353 -19.635 1.00 0.00 H new ATOM 0 HA GLU A 79 67.794 -0.164 -21.207 1.00 0.00 H new ATOM 0 HB2 GLU A 79 70.370 -1.613 -21.272 1.00 0.00 H new ATOM 0 HB3 GLU A 79 69.007 -2.620 -21.718 1.00 0.00 H new ATOM 0 HG2 GLU A 79 69.326 -1.781 -23.789 1.00 0.00 H new ATOM 0 HG3 GLU A 79 68.458 -0.382 -23.187 1.00 0.00 H new ATOM 1279 N LEU A 80 68.080 -2.212 -18.687 1.00 0.00 N ATOM 1280 CA LEU A 80 67.342 -3.150 -17.832 1.00 0.00 C ATOM 1281 C LEU A 80 66.125 -2.498 -17.159 1.00 0.00 C ATOM 1282 O LEU A 80 65.267 -3.194 -16.612 1.00 0.00 O ATOM 1283 CB LEU A 80 68.271 -3.733 -16.764 1.00 0.00 C ATOM 1284 CG LEU A 80 69.218 -4.831 -17.256 1.00 0.00 C ATOM 1285 CD1 LEU A 80 70.078 -5.348 -16.117 1.00 0.00 C ATOM 1286 CD2 LEU A 80 68.433 -5.970 -17.890 1.00 0.00 C ATOM 0 H LEU A 80 68.971 -1.902 -18.300 1.00 0.00 H new ATOM 0 HA LEU A 80 66.972 -3.946 -18.478 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.866 -2.924 -16.342 1.00 0.00 H new ATOM 0 HB3 LEU A 80 67.661 -4.136 -15.955 1.00 0.00 H new ATOM 0 HG LEU A 80 69.874 -4.401 -18.013 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.743 -6.127 -16.488 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.670 -4.530 -15.708 1.00 0.00 H new ATOM 0 HD13 LEU A 80 69.439 -5.759 -15.336 1.00 0.00 H new ATOM 0 HD21 LEU A 80 69.123 -6.741 -18.234 1.00 0.00 H new ATOM 0 HD22 LEU A 80 67.751 -6.396 -17.154 1.00 0.00 H new ATOM 0 HD23 LEU A 80 67.862 -5.591 -18.737 1.00 0.00 H new ATOM 1298 N GLY A 81 66.053 -1.167 -17.194 1.00 0.00 N ATOM 1299 CA GLY A 81 64.927 -0.466 -16.598 1.00 0.00 C ATOM 1300 C GLY A 81 65.165 -0.026 -15.161 1.00 0.00 C ATOM 1301 O GLY A 81 64.229 0.020 -14.363 1.00 0.00 O ATOM 0 H GLY A 81 66.754 -0.563 -17.624 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.696 0.411 -17.203 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.051 -1.114 -16.629 1.00 0.00 H new ATOM 1305 N MET A 82 66.408 0.305 -14.820 1.00 0.00 N ATOM 1306 CA MET A 82 66.718 0.757 -13.462 1.00 0.00 C ATOM 1307 C MET A 82 66.719 2.283 -13.400 1.00 0.00 C ATOM 1308 O MET A 82 67.580 2.940 -13.986 1.00 0.00 O ATOM 1309 CB MET A 82 68.076 0.211 -13.012 1.00 0.00 C ATOM 1310 CG MET A 82 67.978 -0.924 -12.007 1.00 0.00 C ATOM 1311 SD MET A 82 69.552 -1.764 -11.760 1.00 0.00 S ATOM 1312 CE MET A 82 69.340 -3.199 -12.809 1.00 0.00 C ATOM 0 H MET A 82 67.207 0.271 -15.453 1.00 0.00 H new ATOM 0 HA MET A 82 65.950 0.377 -12.788 1.00 0.00 H new ATOM 0 HB2 MET A 82 68.625 -0.137 -13.887 1.00 0.00 H new ATOM 0 HB3 MET A 82 68.656 1.023 -12.574 1.00 0.00 H new ATOM 0 HG2 MET A 82 67.626 -0.531 -11.053 1.00 0.00 H new ATOM 0 HG3 MET A 82 67.235 -1.645 -12.349 1.00 0.00 H new ATOM 0 HE1 MET A 82 70.286 -3.734 -12.889 1.00 0.00 H new ATOM 0 HE2 MET A 82 68.586 -3.857 -12.377 1.00 0.00 H new ATOM 0 HE3 MET A 82 69.018 -2.881 -13.801 1.00 0.00 H new ATOM 1322 N GLU A 83 65.751 2.843 -12.676 1.00 0.00 N ATOM 1323 CA GLU A 83 65.625 4.297 -12.554 1.00 0.00 C ATOM 1324 C GLU A 83 65.336 4.731 -11.120 1.00 0.00 C ATOM 1325 O GLU A 83 64.700 3.996 -10.362 1.00 0.00 O ATOM 1326 CB GLU A 83 64.530 4.828 -13.488 1.00 0.00 C ATOM 1327 CG GLU A 83 64.839 4.607 -14.956 1.00 0.00 C ATOM 1328 CD GLU A 83 64.270 5.694 -15.847 1.00 0.00 C ATOM 1329 OE1 GLU A 83 63.118 5.544 -16.307 1.00 0.00 O ATOM 1330 OE2 GLU A 83 64.977 6.698 -16.085 1.00 0.00 O ATOM 0 H GLU A 83 65.043 2.315 -12.166 1.00 0.00 H new ATOM 0 HA GLU A 83 66.585 4.723 -12.845 1.00 0.00 H new ATOM 0 HB2 GLU A 83 63.586 4.341 -13.245 1.00 0.00 H new ATOM 0 HB3 GLU A 83 64.394 5.894 -13.308 1.00 0.00 H new ATOM 0 HG2 GLU A 83 65.919 4.561 -15.092 1.00 0.00 H new ATOM 0 HG3 GLU A 83 64.437 3.642 -15.266 1.00 0.00 H new ATOM 1337 N GLU A 84 65.796 5.941 -10.776 1.00 0.00 N ATOM 1338 CA GLU A 84 65.605 6.551 -9.445 1.00 0.00 C ATOM 1339 C GLU A 84 66.299 5.780 -8.321 1.00 0.00 C ATOM 1340 O GLU A 84 67.094 6.349 -7.573 1.00 0.00 O ATOM 1341 CB GLU A 84 64.112 6.708 -9.130 1.00 0.00 C ATOM 1342 CG GLU A 84 63.477 7.938 -9.763 1.00 0.00 C ATOM 1343 CD GLU A 84 62.292 7.595 -10.645 1.00 0.00 C ATOM 1344 OE1 GLU A 84 62.514 7.165 -11.798 1.00 0.00 O ATOM 1345 OE2 GLU A 84 61.143 7.755 -10.184 1.00 0.00 O ATOM 0 H GLU A 84 66.319 6.535 -11.420 1.00 0.00 H new ATOM 0 HA GLU A 84 66.075 7.533 -9.492 1.00 0.00 H new ATOM 0 HB2 GLU A 84 63.582 5.820 -9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 84 63.982 6.759 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 84 63.154 8.621 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 84 64.225 8.465 -10.355 1.00 0.00 H new ATOM 1352 N GLU A 85 66.003 4.495 -8.199 1.00 0.00 N ATOM 1353 CA GLU A 85 66.621 3.671 -7.173 1.00 0.00 C ATOM 1354 C GLU A 85 67.892 3.023 -7.712 1.00 0.00 C ATOM 1355 O GLU A 85 68.900 2.952 -7.010 1.00 0.00 O ATOM 1356 CB GLU A 85 65.651 2.593 -6.678 1.00 0.00 C ATOM 1357 CG GLU A 85 64.914 2.975 -5.402 1.00 0.00 C ATOM 1358 CD GLU A 85 63.976 1.887 -4.920 1.00 0.00 C ATOM 1359 OE1 GLU A 85 62.831 1.827 -5.414 1.00 0.00 O ATOM 1360 OE2 GLU A 85 64.388 1.091 -4.048 1.00 0.00 O ATOM 0 H GLU A 85 65.340 4.001 -8.797 1.00 0.00 H new ATOM 0 HA GLU A 85 66.878 4.314 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 85 64.921 2.386 -7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 85 66.204 1.670 -6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 85 65.641 3.195 -4.620 1.00 0.00 H new ATOM 0 HG3 GLU A 85 64.345 3.889 -5.575 1.00 0.00 H new ATOM 1367 N ASP A 86 67.842 2.586 -8.982 1.00 0.00 N ATOM 1368 CA ASP A 86 68.990 1.938 -9.639 1.00 0.00 C ATOM 1369 C ASP A 86 69.586 0.777 -8.805 1.00 0.00 C ATOM 1370 O ASP A 86 70.722 0.364 -9.032 1.00 0.00 O ATOM 1371 CB ASP A 86 70.059 2.989 -9.957 1.00 0.00 C ATOM 1372 CG ASP A 86 71.001 2.564 -11.067 1.00 0.00 C ATOM 1373 OD1 ASP A 86 70.616 1.697 -11.877 1.00 0.00 O ATOM 1374 OD2 ASP A 86 72.123 3.107 -11.131 1.00 0.00 O ATOM 0 H ASP A 86 67.017 2.670 -9.575 1.00 0.00 H new ATOM 0 HA ASP A 86 68.629 1.490 -10.565 1.00 0.00 H new ATOM 0 HB2 ASP A 86 69.570 3.921 -10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 86 70.638 3.194 -9.056 1.00 0.00 H new ATOM 1379 N VAL A 87 68.816 0.261 -7.845 1.00 0.00 N ATOM 1380 CA VAL A 87 69.286 -0.816 -6.967 1.00 0.00 C ATOM 1381 C VAL A 87 69.187 -2.196 -7.625 1.00 0.00 C ATOM 1382 O VAL A 87 68.292 -2.463 -8.429 1.00 0.00 O ATOM 1383 CB VAL A 87 68.483 -0.844 -5.640 1.00 0.00 C ATOM 1384 CG1 VAL A 87 68.576 0.492 -4.917 1.00 0.00 C ATOM 1385 CG2 VAL A 87 67.025 -1.209 -5.886 1.00 0.00 C ATOM 0 H VAL A 87 67.863 0.571 -7.655 1.00 0.00 H new ATOM 0 HA VAL A 87 70.336 -0.601 -6.766 1.00 0.00 H new ATOM 0 HB VAL A 87 68.926 -1.612 -5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 87 68.004 0.445 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 87 69.619 0.710 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 87 68.171 1.279 -5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 87 66.488 -1.221 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 87 66.573 -0.473 -6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 87 66.970 -2.195 -6.346 1.00 0.00 H new ATOM 1395 N ILE A 88 70.135 -3.061 -7.279 1.00 0.00 N ATOM 1396 CA ILE A 88 70.179 -4.426 -7.802 1.00 0.00 C ATOM 1397 C ILE A 88 70.030 -5.434 -6.654 1.00 0.00 C ATOM 1398 O ILE A 88 70.617 -5.251 -5.586 1.00 0.00 O ATOM 1399 CB ILE A 88 71.498 -4.688 -8.570 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.674 -3.641 -9.679 1.00 0.00 C ATOM 1401 CG2 ILE A 88 71.516 -6.092 -9.154 1.00 0.00 C ATOM 1402 CD1 ILE A 88 73.067 -3.584 -10.272 1.00 0.00 C ATOM 0 H ILE A 88 70.892 -2.839 -6.632 1.00 0.00 H new ATOM 0 HA ILE A 88 69.350 -4.549 -8.499 1.00 0.00 H new ATOM 0 HB ILE A 88 72.330 -4.605 -7.870 1.00 0.00 H new ATOM 0 HG12 ILE A 88 70.961 -3.851 -10.477 1.00 0.00 H new ATOM 0 HG13 ILE A 88 71.423 -2.659 -9.278 1.00 0.00 H new ATOM 0 HG21 ILE A 88 72.452 -6.252 -9.689 1.00 0.00 H new ATOM 0 HG22 ILE A 88 71.428 -6.822 -8.349 1.00 0.00 H new ATOM 0 HG23 ILE A 88 70.680 -6.210 -9.843 1.00 0.00 H new ATOM 0 HD11 ILE A 88 73.102 -2.818 -11.047 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.786 -3.341 -9.490 1.00 0.00 H new ATOM 0 HD13 ILE A 88 73.317 -4.552 -10.707 1.00 0.00 H new ATOM 1414 N GLU A 89 69.253 -6.492 -6.874 1.00 0.00 N ATOM 1415 CA GLU A 89 69.027 -7.494 -5.824 1.00 0.00 C ATOM 1416 C GLU A 89 69.715 -8.825 -6.132 1.00 0.00 C ATOM 1417 O GLU A 89 69.698 -9.309 -7.266 1.00 0.00 O ATOM 1418 CB GLU A 89 67.524 -7.724 -5.604 1.00 0.00 C ATOM 1419 CG GLU A 89 67.192 -8.260 -4.219 1.00 0.00 C ATOM 1420 CD GLU A 89 65.809 -7.852 -3.746 1.00 0.00 C ATOM 1421 OE1 GLU A 89 64.842 -8.591 -4.028 1.00 0.00 O ATOM 1422 OE2 GLU A 89 65.693 -6.797 -3.092 1.00 0.00 O ATOM 0 H GLU A 89 68.774 -6.680 -7.754 1.00 0.00 H new ATOM 0 HA GLU A 89 69.469 -7.095 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 89 66.994 -6.784 -5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 89 67.157 -8.424 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.261 -9.348 -4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.935 -7.900 -3.507 1.00 0.00 H new ATOM 1429 N VAL A 90 70.330 -9.408 -5.105 1.00 0.00 N ATOM 1430 CA VAL A 90 71.016 -10.691 -5.238 1.00 0.00 C ATOM 1431 C VAL A 90 70.388 -11.749 -4.325 1.00 0.00 C ATOM 1432 O VAL A 90 70.130 -11.493 -3.149 1.00 0.00 O ATOM 1433 CB VAL A 90 72.518 -10.577 -4.894 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.264 -11.832 -5.323 1.00 0.00 C ATOM 1435 CG2 VAL A 90 73.137 -9.343 -5.535 1.00 0.00 C ATOM 0 H VAL A 90 70.367 -9.009 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 90 70.910 -10.991 -6.281 1.00 0.00 H new ATOM 0 HB VAL A 90 72.606 -10.474 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.320 -11.731 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 90 72.849 -12.697 -4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 90 73.158 -11.968 -6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 90 74.194 -9.290 -5.275 1.00 0.00 H new ATOM 0 HG22 VAL A 90 73.032 -9.404 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.628 -8.450 -5.171 1.00 0.00 H new ATOM 1445 N TYR A 91 70.141 -12.933 -4.875 1.00 0.00 N ATOM 1446 CA TYR A 91 69.557 -14.033 -4.103 1.00 0.00 C ATOM 1447 C TYR A 91 70.462 -15.261 -4.155 1.00 0.00 C ATOM 1448 O TYR A 91 71.226 -15.439 -5.104 1.00 0.00 O ATOM 1449 CB TYR A 91 68.158 -14.398 -4.621 1.00 0.00 C ATOM 1450 CG TYR A 91 67.070 -13.450 -4.164 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.127 -12.967 -5.061 1.00 0.00 C ATOM 1452 CD2 TYR A 91 66.983 -13.041 -2.838 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.131 -12.102 -4.654 1.00 0.00 C ATOM 1454 CE2 TYR A 91 65.986 -12.175 -2.423 1.00 0.00 C ATOM 1455 CZ TYR A 91 65.064 -11.709 -3.335 1.00 0.00 C ATOM 1456 OH TYR A 91 64.072 -10.845 -2.927 1.00 0.00 O ATOM 0 H TYR A 91 70.334 -13.159 -5.851 1.00 0.00 H new ATOM 0 HA TYR A 91 69.464 -13.698 -3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.178 -14.415 -5.711 1.00 0.00 H new ATOM 0 HB3 TYR A 91 67.910 -15.407 -4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.173 -13.273 -6.096 1.00 0.00 H new ATOM 0 HD2 TYR A 91 67.704 -13.404 -2.121 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.407 -11.735 -5.367 1.00 0.00 H new ATOM 0 HE2 TYR A 91 65.931 -11.866 -1.390 1.00 0.00 H new ATOM 0 HH TYR A 91 64.049 -10.068 -3.524 1.00 0.00 H new ATOM 1466 N GLN A 92 70.383 -16.103 -3.133 1.00 0.00 N ATOM 1467 CA GLN A 92 71.208 -17.308 -3.080 1.00 0.00 C ATOM 1468 C GLN A 92 70.392 -18.561 -3.406 1.00 0.00 C ATOM 1469 O GLN A 92 69.258 -18.717 -2.950 1.00 0.00 O ATOM 1470 CB GLN A 92 71.875 -17.443 -1.705 1.00 0.00 C ATOM 1471 CG GLN A 92 70.897 -17.466 -0.536 1.00 0.00 C ATOM 1472 CD GLN A 92 70.849 -18.818 0.154 1.00 0.00 C ATOM 1473 OE1 GLN A 92 71.657 -19.112 1.031 1.00 0.00 O ATOM 1474 NE2 GLN A 92 69.902 -19.650 -0.245 1.00 0.00 N ATOM 0 H GLN A 92 69.762 -15.978 -2.334 1.00 0.00 H new ATOM 0 HA GLN A 92 71.985 -17.212 -3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 92 72.465 -18.359 -1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.569 -16.614 -1.567 1.00 0.00 H new ATOM 0 HG2 GLN A 92 71.182 -16.702 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 92 69.900 -17.209 -0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 92 69.250 -19.367 -0.977 1.00 0.00 H new ATOM 0 HE22 GLN A 92 69.823 -20.574 0.179 1.00 0.00 H new ATOM 1483 N GLU A 93 70.981 -19.456 -4.194 1.00 0.00 N ATOM 1484 CA GLU A 93 70.315 -20.700 -4.579 1.00 0.00 C ATOM 1485 C GLU A 93 70.992 -21.902 -3.914 1.00 0.00 C ATOM 1486 O GLU A 93 71.289 -22.905 -4.562 1.00 0.00 O ATOM 1487 CB GLU A 93 70.328 -20.861 -6.101 1.00 0.00 C ATOM 1488 CG GLU A 93 68.948 -20.774 -6.734 1.00 0.00 C ATOM 1489 CD GLU A 93 68.974 -20.989 -8.234 1.00 0.00 C ATOM 1490 OE1 GLU A 93 69.793 -20.335 -8.916 1.00 0.00 O ATOM 1491 OE2 GLU A 93 68.175 -21.812 -8.732 1.00 0.00 O ATOM 0 H GLU A 93 71.919 -19.344 -4.579 1.00 0.00 H new ATOM 0 HA GLU A 93 69.280 -20.655 -4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 93 70.966 -20.091 -6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 93 70.774 -21.823 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 93 68.296 -21.518 -6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 93 68.516 -19.797 -6.519 1.00 0.00 H new