USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 HIS : no HD1:sc= -0.273 K(o=-0.27,f=-1.1) USER MOD Single : A 7 HIS : no HD1:sc= -0.48 K(o=-0.48,f=-1!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 9 HIS : no HD1:sc= -0.0773 X(o=-0.077,f=-0.25) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -90:sc= -0.375 USER MOD Single : A 48 MET CE :methyl -105:sc= -7.15! (180deg=-11.8!) USER MOD Single : A 50 GLN : amide:sc= -0.329 X(o=-0.33,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.32 K(o=-0.32,f=-2.5!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.761 X(o=-0.76,f=-0.5) USER MOD Single : A 69 ASN : amide:sc= -0.463 K(o=-0.46,f=-1.2) USER MOD Single : A 76 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.08) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 79 TYR OH : rot 121:sc= -0.186 USER MOD Single : A 80 THR OG1 : rot -80:sc= -1.47 USER MOD Single : A 85 GLN : amide:sc= -0.0874 X(o=-0.087,f=0) USER MOD Single : A 86 GLN : amide:sc=-0.00909 K(o=-0.0091,f=-1.2) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -1.21 USER MOD Single : A 96 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.67) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N HIS A 6 -6.373 -10.321 -25.344 1.00 0.00 N ATOM 67 CA HIS A 6 -6.374 -10.701 -23.936 1.00 0.00 C ATOM 68 C HIS A 6 -5.535 -9.732 -23.109 1.00 0.00 C ATOM 69 O HIS A 6 -5.826 -9.488 -21.938 1.00 0.00 O ATOM 70 CB HIS A 6 -5.842 -12.126 -23.770 1.00 0.00 C ATOM 71 CG HIS A 6 -4.494 -12.338 -24.387 1.00 0.00 C ATOM 72 ND1 HIS A 6 -4.321 -12.332 -25.749 1.00 0.00 N ATOM 73 CD2 HIS A 6 -3.297 -12.555 -23.787 1.00 0.00 C ATOM 74 CE1 HIS A 6 -3.032 -12.544 -25.951 1.00 0.00 C ATOM 75 NE2 HIS A 6 -2.374 -12.684 -24.792 1.00 0.00 N ATOM 0 HA HIS A 6 -7.402 -10.660 -23.576 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.787 -12.363 -22.708 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.551 -12.824 -24.216 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -3.108 -12.614 -22.725 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -2.569 -12.598 -26.925 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -1.375 -12.854 -24.679 1.00 0.00 H new ATOM 83 N HIS A 7 -4.495 -9.183 -23.728 1.00 0.00 N ATOM 84 CA HIS A 7 -3.612 -8.239 -23.052 1.00 0.00 C ATOM 85 C HIS A 7 -3.226 -7.095 -23.982 1.00 0.00 C ATOM 86 O HIS A 7 -2.388 -7.260 -24.870 1.00 0.00 O ATOM 87 CB HIS A 7 -2.354 -8.951 -22.554 1.00 0.00 C ATOM 88 CG HIS A 7 -2.273 -9.055 -21.062 1.00 0.00 C ATOM 89 ND1 HIS A 7 -3.251 -8.526 -20.253 1.00 0.00 N ATOM 90 CD2 HIS A 7 -1.321 -9.631 -20.289 1.00 0.00 C ATOM 91 CE1 HIS A 7 -2.875 -8.789 -19.014 1.00 0.00 C ATOM 92 NE2 HIS A 7 -1.713 -9.457 -18.987 1.00 0.00 N ATOM 0 H HIS A 7 -4.243 -9.376 -24.697 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.149 -7.826 -22.198 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.321 -9.953 -22.982 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -1.476 -8.419 -22.921 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -0.427 -10.130 -20.632 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -3.433 -8.502 -18.135 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -1.215 -9.775 -18.156 1.00 0.00 H new ATOM 100 N HIS A 8 -3.840 -5.935 -23.773 1.00 0.00 N ATOM 101 CA HIS A 8 -3.560 -4.763 -24.594 1.00 0.00 C ATOM 102 C HIS A 8 -3.297 -3.538 -23.727 1.00 0.00 C ATOM 103 O HIS A 8 -3.513 -3.564 -22.515 1.00 0.00 O ATOM 104 CB HIS A 8 -4.730 -4.490 -25.543 1.00 0.00 C ATOM 105 CG HIS A 8 -4.425 -4.803 -26.974 1.00 0.00 C ATOM 106 ND1 HIS A 8 -4.465 -3.830 -27.945 1.00 0.00 N ATOM 107 CD2 HIS A 8 -4.084 -5.986 -27.545 1.00 0.00 C ATOM 108 CE1 HIS A 8 -4.149 -4.436 -29.077 1.00 0.00 C ATOM 109 NE2 HIS A 8 -3.911 -5.740 -28.882 1.00 0.00 N ATOM 0 H HIS A 8 -4.535 -5.782 -23.042 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.664 -4.967 -25.180 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -5.590 -5.080 -25.226 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.016 -3.441 -25.462 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.971 -6.936 -27.044 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.090 -3.943 -30.036 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.650 -6.421 -29.595 1.00 0.00 H new ATOM 117 N HIS A 9 -2.827 -2.464 -24.355 1.00 0.00 N ATOM 118 CA HIS A 9 -2.534 -1.227 -23.643 1.00 0.00 C ATOM 119 C HIS A 9 -3.819 -0.534 -23.202 1.00 0.00 C ATOM 120 O HIS A 9 -4.771 -0.423 -23.975 1.00 0.00 O ATOM 121 CB HIS A 9 -1.713 -0.289 -24.529 1.00 0.00 C ATOM 122 CG HIS A 9 -0.399 0.105 -23.930 1.00 0.00 C ATOM 123 ND1 HIS A 9 -0.298 0.494 -22.615 1.00 0.00 N ATOM 124 CD2 HIS A 9 0.830 0.154 -24.502 1.00 0.00 C ATOM 125 CE1 HIS A 9 0.979 0.768 -22.416 1.00 0.00 C ATOM 126 NE2 HIS A 9 1.698 0.577 -23.531 1.00 0.00 N ATOM 0 H HIS A 9 -2.641 -2.427 -25.357 1.00 0.00 H new ATOM 0 HA HIS A 9 -1.955 -1.477 -22.754 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -1.534 -0.774 -25.489 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -2.296 0.610 -24.729 1.00 0.00 H new ATOM 0 HD2 HIS A 9 1.076 -0.093 -25.524 1.00 0.00 H new ATOM 0 HE1 HIS A 9 1.391 1.103 -21.475 1.00 0.00 H new ATOM 0 HE2 HIS A 9 2.702 0.720 -23.636 1.00 0.00 H new ATOM 134 N HIS A 10 -3.836 -0.067 -21.958 1.00 0.00 N ATOM 135 CA HIS A 10 -5.005 0.616 -21.414 1.00 0.00 C ATOM 136 C HIS A 10 -4.718 2.099 -21.198 1.00 0.00 C ATOM 137 O HIS A 10 -5.142 2.685 -20.203 1.00 0.00 O ATOM 138 CB HIS A 10 -5.433 -0.034 -20.097 1.00 0.00 C ATOM 139 CG HIS A 10 -6.105 -1.359 -20.274 1.00 0.00 C ATOM 140 ND1 HIS A 10 -5.393 -2.535 -20.232 1.00 0.00 N ATOM 141 CD2 HIS A 10 -7.413 -1.640 -20.489 1.00 0.00 C ATOM 142 CE1 HIS A 10 -6.276 -3.500 -20.421 1.00 0.00 C ATOM 143 NE2 HIS A 10 -7.512 -3.004 -20.582 1.00 0.00 N ATOM 0 H HIS A 10 -3.054 -0.149 -21.308 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.817 0.526 -22.135 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.556 -0.163 -19.463 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.110 0.640 -19.572 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.221 -0.928 -20.571 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.034 -4.552 -20.443 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.364 -3.540 -20.743 1.00 0.00 H new ATOM 151 N SER A 11 -3.998 2.699 -22.142 1.00 0.00 N ATOM 152 CA SER A 11 -3.655 4.113 -22.058 1.00 0.00 C ATOM 153 C SER A 11 -4.721 4.971 -22.732 1.00 0.00 C ATOM 154 O SER A 11 -5.123 4.703 -23.865 1.00 0.00 O ATOM 155 CB SER A 11 -2.292 4.368 -22.708 1.00 0.00 C ATOM 156 OG SER A 11 -2.339 5.481 -23.582 1.00 0.00 O ATOM 0 H SER A 11 -3.642 2.227 -22.973 1.00 0.00 H new ATOM 0 HA SER A 11 -3.605 4.388 -21.004 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.544 4.542 -21.934 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.979 3.482 -23.260 1.00 0.00 H new ATOM 0 HG SER A 11 -1.455 5.621 -23.981 1.00 0.00 H new ATOM 162 N SER A 12 -5.178 6.000 -22.025 1.00 0.00 N ATOM 163 CA SER A 12 -6.202 6.894 -22.553 1.00 0.00 C ATOM 164 C SER A 12 -5.717 8.340 -22.551 1.00 0.00 C ATOM 165 O SER A 12 -6.213 9.172 -23.312 1.00 0.00 O ATOM 166 CB SER A 12 -7.485 6.775 -21.728 1.00 0.00 C ATOM 167 OG SER A 12 -8.566 6.325 -22.526 1.00 0.00 O ATOM 0 H SER A 12 -4.856 6.235 -21.086 1.00 0.00 H new ATOM 0 HA SER A 12 -6.409 6.601 -23.582 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.326 6.082 -20.901 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.730 7.743 -21.290 1.00 0.00 H new ATOM 0 HG SER A 12 -9.373 6.256 -21.975 1.00 0.00 H new ATOM 173 N GLY A 13 -4.743 8.631 -21.693 1.00 0.00 N ATOM 174 CA GLY A 13 -4.207 9.977 -21.608 1.00 0.00 C ATOM 175 C GLY A 13 -2.701 10.012 -21.777 1.00 0.00 C ATOM 176 O GLY A 13 -1.961 10.096 -20.795 1.00 0.00 O ATOM 0 H GLY A 13 -4.316 7.959 -21.056 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.670 10.598 -22.374 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.472 10.410 -20.643 1.00 0.00 H new ATOM 390 N ASP A 27 1.083 3.809 -4.223 1.00 0.00 N ATOM 391 CA ASP A 27 0.181 3.092 -5.116 1.00 0.00 C ATOM 392 C ASP A 27 -0.904 2.353 -4.341 1.00 0.00 C ATOM 393 O ASP A 27 -2.042 2.817 -4.268 1.00 0.00 O ATOM 394 CB ASP A 27 0.963 2.108 -5.989 1.00 0.00 C ATOM 395 CG ASP A 27 0.094 1.456 -7.047 1.00 0.00 C ATOM 396 OD1 ASP A 27 -0.377 2.174 -7.954 1.00 0.00 O ATOM 397 OD2 ASP A 27 -0.116 0.227 -6.968 1.00 0.00 O ATOM 0 HA ASP A 27 -0.304 3.830 -5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.788 2.632 -6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.402 1.336 -5.357 1.00 0.00 H new ATOM 402 N TYR A 28 -0.569 1.180 -3.800 1.00 0.00 N ATOM 403 CA TYR A 28 -1.559 0.384 -3.074 1.00 0.00 C ATOM 404 C TYR A 28 -1.012 -0.169 -1.760 1.00 0.00 C ATOM 405 O TYR A 28 0.194 -0.147 -1.514 1.00 0.00 O ATOM 406 CB TYR A 28 -2.058 -0.765 -3.950 1.00 0.00 C ATOM 407 CG TYR A 28 -3.558 -0.777 -4.132 1.00 0.00 C ATOM 408 CD1 TYR A 28 -4.166 0.004 -5.107 1.00 0.00 C ATOM 409 CD2 TYR A 28 -4.367 -1.571 -3.330 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.538 -0.005 -5.276 1.00 0.00 C ATOM 411 CE2 TYR A 28 -5.739 -1.588 -3.493 1.00 0.00 C ATOM 412 CZ TYR A 28 -6.319 -0.804 -4.468 1.00 0.00 C ATOM 413 OH TYR A 28 -7.685 -0.816 -4.634 1.00 0.00 O ATOM 0 H TYR A 28 0.362 0.767 -3.849 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.387 1.050 -2.830 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.582 -0.699 -4.928 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.746 -1.711 -3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.557 0.629 -5.743 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.916 -2.186 -2.565 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.996 0.610 -6.037 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.353 -2.212 -2.861 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.088 -1.432 -3.987 1.00 0.00 H new ATOM 423 N ARG A 29 -1.922 -0.660 -0.918 1.00 0.00 N ATOM 424 CA ARG A 29 -1.554 -1.242 0.370 1.00 0.00 C ATOM 425 C ARG A 29 -2.303 -2.553 0.612 1.00 0.00 C ATOM 426 O ARG A 29 -3.475 -2.684 0.258 1.00 0.00 O ATOM 427 CB ARG A 29 -1.849 -0.255 1.502 1.00 0.00 C ATOM 428 CG ARG A 29 -3.114 0.561 1.285 1.00 0.00 C ATOM 429 CD ARG A 29 -3.178 1.752 2.227 1.00 0.00 C ATOM 430 NE ARG A 29 -3.387 3.007 1.510 1.00 0.00 N ATOM 431 CZ ARG A 29 -4.556 3.379 0.998 1.00 0.00 C ATOM 432 NH1 ARG A 29 -5.618 2.595 1.121 1.00 0.00 N ATOM 433 NH2 ARG A 29 -4.663 4.537 0.360 1.00 0.00 N ATOM 0 H ARG A 29 -2.924 -0.665 -1.108 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.485 -1.455 0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.938 -0.805 2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.003 0.424 1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.150 0.910 0.253 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.988 -0.073 1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.987 1.605 2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.252 1.811 2.799 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.591 3.634 1.396 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.540 1.703 1.610 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.513 2.884 0.727 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.848 5.143 0.262 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.560 4.822 -0.033 1.00 0.00 H new ATOM 447 N LEU A 30 -1.620 -3.517 1.224 1.00 0.00 N ATOM 448 CA LEU A 30 -2.214 -4.815 1.528 1.00 0.00 C ATOM 449 C LEU A 30 -1.879 -5.236 2.958 1.00 0.00 C ATOM 450 O LEU A 30 -0.918 -5.969 3.189 1.00 0.00 O ATOM 451 CB LEU A 30 -1.709 -5.872 0.535 1.00 0.00 C ATOM 452 CG LEU A 30 -2.598 -7.112 0.366 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.337 -8.115 1.482 1.00 0.00 C ATOM 454 CD2 LEU A 30 -4.071 -6.727 0.328 1.00 0.00 C ATOM 0 H LEU A 30 -0.649 -3.422 1.521 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.297 -4.731 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.589 -5.399 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.719 -6.199 0.854 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.346 -7.580 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.977 -8.987 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.292 -8.424 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.555 -7.653 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.679 -7.624 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.341 -6.228 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.249 -6.053 -0.510 1.00 0.00 H new ATOM 466 N ASP A 31 -2.671 -4.760 3.917 1.00 0.00 N ATOM 467 CA ASP A 31 -2.437 -5.071 5.326 1.00 0.00 C ATOM 468 C ASP A 31 -3.428 -6.114 5.840 1.00 0.00 C ATOM 469 O ASP A 31 -4.318 -5.801 6.632 1.00 0.00 O ATOM 470 CB ASP A 31 -2.535 -3.797 6.169 1.00 0.00 C ATOM 471 CG ASP A 31 -3.743 -2.956 5.805 1.00 0.00 C ATOM 472 OD1 ASP A 31 -3.685 -2.248 4.778 1.00 0.00 O ATOM 473 OD2 ASP A 31 -4.747 -3.007 6.547 1.00 0.00 O ATOM 0 H ASP A 31 -3.478 -4.160 3.745 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.434 -5.488 5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.587 -4.066 7.224 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.630 -3.205 6.035 1.00 0.00 H new ATOM 478 N MET A 32 -3.290 -7.346 5.359 1.00 0.00 N ATOM 479 CA MET A 32 -4.168 -8.434 5.783 1.00 0.00 C ATOM 480 C MET A 32 -3.377 -9.718 6.052 1.00 0.00 C ATOM 481 O MET A 32 -2.662 -9.827 7.050 1.00 0.00 O ATOM 482 CB MET A 32 -5.249 -8.679 4.726 1.00 0.00 C ATOM 483 CG MET A 32 -6.593 -8.062 5.078 1.00 0.00 C ATOM 484 SD MET A 32 -7.592 -9.126 6.136 1.00 0.00 S ATOM 485 CE MET A 32 -9.240 -8.722 5.562 1.00 0.00 C ATOM 0 H MET A 32 -2.581 -7.616 4.677 1.00 0.00 H new ATOM 0 HA MET A 32 -4.646 -8.140 6.717 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.911 -8.274 3.772 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.376 -9.753 4.590 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.430 -7.108 5.579 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.142 -7.850 4.161 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.973 -9.302 6.123 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.427 -7.659 5.712 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.324 -8.959 4.501 1.00 0.00 H new ATOM 495 N VAL A 33 -3.530 -10.700 5.166 1.00 0.00 N ATOM 496 CA VAL A 33 -2.837 -11.974 5.299 1.00 0.00 C ATOM 497 C VAL A 33 -2.233 -12.395 3.961 1.00 0.00 C ATOM 498 O VAL A 33 -2.835 -12.179 2.908 1.00 0.00 O ATOM 499 CB VAL A 33 -3.788 -13.081 5.801 1.00 0.00 C ATOM 500 CG1 VAL A 33 -3.050 -14.402 5.952 1.00 0.00 C ATOM 501 CG2 VAL A 33 -4.437 -12.672 7.115 1.00 0.00 C ATOM 0 H VAL A 33 -4.132 -10.634 4.345 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.042 -11.839 6.032 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.574 -13.218 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.741 -15.166 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.641 -14.702 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.238 -14.285 6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.104 -13.465 7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.665 -12.503 7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.008 -11.755 6.969 1.00 0.00 H new ATOM 511 N GLY A 34 -1.044 -12.989 4.006 1.00 0.00 N ATOM 512 CA GLY A 34 -0.392 -13.430 2.784 1.00 0.00 C ATOM 513 C GLY A 34 -1.244 -14.412 2.002 1.00 0.00 C ATOM 514 O GLY A 34 -0.961 -14.707 0.842 1.00 0.00 O ATOM 0 H GLY A 34 -0.522 -13.173 4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.172 -12.565 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.562 -13.896 3.031 1.00 0.00 H new ATOM 518 N GLU A 35 -2.296 -14.912 2.644 1.00 0.00 N ATOM 519 CA GLU A 35 -3.211 -15.854 2.012 1.00 0.00 C ATOM 520 C GLU A 35 -3.895 -15.215 0.802 1.00 0.00 C ATOM 521 O GLU A 35 -3.950 -13.991 0.693 1.00 0.00 O ATOM 522 CB GLU A 35 -4.254 -16.324 3.037 1.00 0.00 C ATOM 523 CG GLU A 35 -5.632 -15.704 2.856 1.00 0.00 C ATOM 524 CD GLU A 35 -6.613 -16.142 3.926 1.00 0.00 C ATOM 525 OE1 GLU A 35 -6.275 -16.031 5.123 1.00 0.00 O ATOM 526 OE2 GLU A 35 -7.719 -16.595 3.567 1.00 0.00 O ATOM 0 H GLU A 35 -2.536 -14.678 3.607 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.644 -16.716 1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.345 -17.408 2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.892 -16.092 4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.543 -14.618 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.023 -15.977 1.876 1.00 0.00 H new ATOM 593 N PRO A 40 -6.008 -8.651 -3.043 1.00 0.00 N ATOM 594 CA PRO A 40 -4.637 -8.516 -2.567 1.00 0.00 C ATOM 595 C PRO A 40 -3.706 -7.891 -3.609 1.00 0.00 C ATOM 596 O PRO A 40 -3.970 -6.798 -4.111 1.00 0.00 O ATOM 597 CB PRO A 40 -4.260 -9.970 -2.298 1.00 0.00 C ATOM 598 CG PRO A 40 -4.985 -10.747 -3.352 1.00 0.00 C ATOM 599 CD PRO A 40 -6.201 -9.935 -3.741 1.00 0.00 C ATOM 0 HA PRO A 40 -4.548 -7.855 -1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.182 -10.120 -2.366 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.563 -10.280 -1.298 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.343 -10.918 -4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.280 -11.726 -2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.261 -9.798 -4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.124 -10.424 -3.430 1.00 0.00 H new ATOM 607 N ALA A 41 -2.630 -8.604 -3.944 1.00 0.00 N ATOM 608 CA ALA A 41 -1.650 -8.124 -4.917 1.00 0.00 C ATOM 609 C ALA A 41 -2.277 -7.832 -6.278 1.00 0.00 C ATOM 610 O ALA A 41 -1.594 -7.363 -7.188 1.00 0.00 O ATOM 611 CB ALA A 41 -0.531 -9.139 -5.079 1.00 0.00 C ATOM 0 H ALA A 41 -2.415 -9.521 -3.553 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.249 -7.187 -4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.192 -8.770 -5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.036 -9.291 -4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.945 -10.085 -5.427 1.00 0.00 H new ATOM 617 N VAL A 42 -3.565 -8.129 -6.423 1.00 0.00 N ATOM 618 CA VAL A 42 -4.267 -7.884 -7.677 1.00 0.00 C ATOM 619 C VAL A 42 -3.978 -6.477 -8.191 1.00 0.00 C ATOM 620 O VAL A 42 -3.899 -6.246 -9.398 1.00 0.00 O ATOM 621 CB VAL A 42 -5.790 -8.071 -7.517 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.400 -6.935 -6.708 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.460 -8.188 -8.877 1.00 0.00 C ATOM 0 H VAL A 42 -4.142 -8.539 -5.689 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.902 -8.614 -8.400 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.961 -8.998 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.474 -7.093 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.946 -6.909 -5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.217 -5.988 -7.215 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.534 -8.319 -8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.274 -7.282 -9.453 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.053 -9.047 -9.410 1.00 0.00 H new ATOM 633 N ALA A 43 -3.816 -5.546 -7.259 1.00 0.00 N ATOM 634 CA ALA A 43 -3.514 -4.160 -7.595 1.00 0.00 C ATOM 635 C ALA A 43 -2.075 -4.010 -8.080 1.00 0.00 C ATOM 636 O ALA A 43 -1.797 -3.249 -9.007 1.00 0.00 O ATOM 637 CB ALA A 43 -3.768 -3.262 -6.397 1.00 0.00 C ATOM 0 H ALA A 43 -3.889 -5.728 -6.258 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.173 -3.857 -8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.539 -2.230 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.814 -3.337 -6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.133 -3.574 -5.567 1.00 0.00 H new ATOM 643 N THR A 44 -1.161 -4.731 -7.435 1.00 0.00 N ATOM 644 CA THR A 44 0.252 -4.682 -7.798 1.00 0.00 C ATOM 645 C THR A 44 0.441 -4.966 -9.284 1.00 0.00 C ATOM 646 O THR A 44 1.050 -4.176 -10.009 1.00 0.00 O ATOM 647 CB THR A 44 1.045 -5.694 -6.970 1.00 0.00 C ATOM 648 OG1 THR A 44 0.354 -6.016 -5.777 1.00 0.00 O ATOM 649 CG2 THR A 44 2.423 -5.202 -6.586 1.00 0.00 C ATOM 0 H THR A 44 -1.374 -5.356 -6.658 1.00 0.00 H new ATOM 0 HA THR A 44 0.622 -3.679 -7.588 1.00 0.00 H new ATOM 0 HB THR A 44 1.155 -6.570 -7.610 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.625 -5.399 -5.065 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.932 -5.967 -6.000 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.999 -4.992 -7.487 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.332 -4.292 -5.993 1.00 0.00 H new ATOM 657 N LEU A 45 -0.098 -6.094 -9.737 1.00 0.00 N ATOM 658 CA LEU A 45 0.008 -6.482 -11.136 1.00 0.00 C ATOM 659 C LEU A 45 -0.675 -5.459 -12.038 1.00 0.00 C ATOM 660 O LEU A 45 -0.167 -5.127 -13.110 1.00 0.00 O ATOM 661 CB LEU A 45 -0.611 -7.865 -11.353 1.00 0.00 C ATOM 662 CG LEU A 45 0.198 -8.802 -12.252 1.00 0.00 C ATOM 663 CD1 LEU A 45 1.506 -9.192 -11.579 1.00 0.00 C ATOM 664 CD2 LEU A 45 -0.614 -10.041 -12.598 1.00 0.00 C ATOM 0 H LEU A 45 -0.612 -6.754 -9.154 1.00 0.00 H new ATOM 0 HA LEU A 45 1.066 -6.521 -11.397 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.745 -8.343 -10.383 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.604 -7.738 -11.785 1.00 0.00 H new ATOM 0 HG LEU A 45 0.432 -8.274 -13.176 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.067 -9.859 -12.234 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.095 -8.296 -11.382 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.294 -9.701 -10.639 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.023 -10.696 -13.238 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.878 -10.570 -11.682 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.523 -9.746 -13.122 1.00 0.00 H new ATOM 676 N GLU A 46 -1.828 -4.960 -11.599 1.00 0.00 N ATOM 677 CA GLU A 46 -2.574 -3.970 -12.370 1.00 0.00 C ATOM 678 C GLU A 46 -1.807 -2.652 -12.435 1.00 0.00 C ATOM 679 O GLU A 46 -2.052 -1.817 -13.309 1.00 0.00 O ATOM 680 CB GLU A 46 -3.967 -3.755 -11.762 1.00 0.00 C ATOM 681 CG GLU A 46 -4.055 -2.576 -10.803 1.00 0.00 C ATOM 682 CD GLU A 46 -4.779 -1.387 -11.404 1.00 0.00 C ATOM 683 OE1 GLU A 46 -4.707 -1.209 -12.638 1.00 0.00 O ATOM 684 OE2 GLU A 46 -5.417 -0.633 -10.639 1.00 0.00 O ATOM 0 H GLU A 46 -2.265 -5.224 -10.716 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.696 -4.345 -13.386 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.684 -3.606 -12.569 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.264 -4.661 -11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.570 -2.889 -9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.049 -2.274 -10.511 1.00 0.00 H new ATOM 691 N ALA A 47 -0.885 -2.469 -11.497 1.00 0.00 N ATOM 692 CA ALA A 47 -0.063 -1.267 -11.459 1.00 0.00 C ATOM 693 C ALA A 47 0.965 -1.284 -12.584 1.00 0.00 C ATOM 694 O ALA A 47 1.349 -0.235 -13.103 1.00 0.00 O ATOM 695 CB ALA A 47 0.621 -1.132 -10.109 1.00 0.00 C ATOM 0 H ALA A 47 -0.688 -3.138 -10.753 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.711 -0.403 -11.603 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.231 -0.229 -10.099 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.133 -1.070 -9.324 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.256 -2.000 -9.934 1.00 0.00 H new ATOM 701 N MET A 48 1.399 -2.488 -12.964 1.00 0.00 N ATOM 702 CA MET A 48 2.383 -2.648 -14.034 1.00 0.00 C ATOM 703 C MET A 48 1.995 -1.826 -15.267 1.00 0.00 C ATOM 704 O MET A 48 2.768 -0.981 -15.713 1.00 0.00 O ATOM 705 CB MET A 48 2.546 -4.124 -14.408 1.00 0.00 C ATOM 706 CG MET A 48 3.194 -4.959 -13.318 1.00 0.00 C ATOM 707 SD MET A 48 4.951 -4.608 -13.129 1.00 0.00 S ATOM 708 CE MET A 48 5.445 -5.950 -12.055 1.00 0.00 C ATOM 0 H MET A 48 1.085 -3.364 -12.547 1.00 0.00 H new ATOM 0 HA MET A 48 3.339 -2.277 -13.664 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.566 -4.542 -14.640 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.146 -4.196 -15.315 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.686 -4.772 -12.372 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.061 -6.016 -13.548 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.598 -5.570 -11.045 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.665 -6.712 -12.042 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.373 -6.387 -12.422 1.00 0.00 H new ATOM 718 N PRO A 49 0.785 -2.034 -15.831 1.00 0.00 N ATOM 719 CA PRO A 49 0.326 -1.263 -16.989 1.00 0.00 C ATOM 720 C PRO A 49 0.207 0.219 -16.655 1.00 0.00 C ATOM 721 O PRO A 49 0.629 1.079 -17.428 1.00 0.00 O ATOM 722 CB PRO A 49 -1.053 -1.853 -17.312 1.00 0.00 C ATOM 723 CG PRO A 49 -1.097 -3.163 -16.600 1.00 0.00 C ATOM 724 CD PRO A 49 -0.233 -3.000 -15.384 1.00 0.00 C ATOM 0 HA PRO A 49 1.021 -1.328 -17.826 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.852 -1.194 -16.973 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.183 -1.985 -18.386 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.118 -3.422 -16.321 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.727 -3.966 -17.237 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.800 -2.624 -14.533 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.214 -3.945 -15.077 1.00 0.00 H new ATOM 732 N GLN A 50 -0.365 0.507 -15.488 1.00 0.00 N ATOM 733 CA GLN A 50 -0.538 1.882 -15.031 1.00 0.00 C ATOM 734 C GLN A 50 0.791 2.500 -14.589 1.00 0.00 C ATOM 735 O GLN A 50 0.806 3.569 -13.979 1.00 0.00 O ATOM 736 CB GLN A 50 -1.542 1.932 -13.878 1.00 0.00 C ATOM 737 CG GLN A 50 -2.916 2.438 -14.290 1.00 0.00 C ATOM 738 CD GLN A 50 -4.042 1.723 -13.569 1.00 0.00 C ATOM 739 OE1 GLN A 50 -5.037 1.331 -14.181 1.00 0.00 O ATOM 740 NE2 GLN A 50 -3.892 1.550 -12.262 1.00 0.00 N ATOM 0 H GLN A 50 -0.718 -0.197 -14.840 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.918 2.464 -15.870 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.644 0.934 -13.452 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.148 2.575 -13.091 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.981 3.507 -14.087 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.039 2.309 -15.365 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.051 1.891 -11.796 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.617 1.076 -11.724 1.00 0.00 H new ATOM 749 N LEU A 51 1.898 1.832 -14.917 1.00 0.00 N ATOM 750 CA LEU A 51 3.227 2.292 -14.538 1.00 0.00 C ATOM 751 C LEU A 51 3.395 3.794 -14.697 1.00 0.00 C ATOM 752 O LEU A 51 2.813 4.409 -15.590 1.00 0.00 O ATOM 753 CB LEU A 51 4.283 1.581 -15.378 1.00 0.00 C ATOM 754 CG LEU A 51 5.323 0.841 -14.557 1.00 0.00 C ATOM 755 CD1 LEU A 51 5.666 -0.496 -15.197 1.00 0.00 C ATOM 756 CD2 LEU A 51 6.570 1.691 -14.378 1.00 0.00 C ATOM 0 H LEU A 51 1.895 0.962 -15.450 1.00 0.00 H new ATOM 0 HA LEU A 51 3.353 2.054 -13.482 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.788 0.873 -16.044 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.786 2.314 -16.009 1.00 0.00 H new ATOM 0 HG LEU A 51 4.902 0.645 -13.571 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.413 -1.008 -14.591 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.768 -1.110 -15.261 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.063 -0.329 -16.198 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.303 1.142 -13.787 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.994 1.925 -15.354 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.309 2.616 -13.864 1.00 0.00 H new ATOM 768 N LYS A 52 4.227 4.369 -13.835 1.00 0.00 N ATOM 769 CA LYS A 52 4.504 5.791 -13.879 1.00 0.00 C ATOM 770 C LYS A 52 5.905 6.090 -13.355 1.00 0.00 C ATOM 771 O LYS A 52 6.672 5.177 -13.052 1.00 0.00 O ATOM 772 CB LYS A 52 3.465 6.553 -13.057 1.00 0.00 C ATOM 773 CG LYS A 52 2.831 7.712 -13.806 1.00 0.00 C ATOM 774 CD LYS A 52 1.794 8.428 -12.956 1.00 0.00 C ATOM 775 CE LYS A 52 0.535 8.730 -13.752 1.00 0.00 C ATOM 776 NZ LYS A 52 -0.698 8.522 -12.943 1.00 0.00 N ATOM 0 H LYS A 52 4.720 3.866 -13.097 1.00 0.00 H new ATOM 0 HA LYS A 52 4.450 6.117 -14.918 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.683 5.862 -12.744 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.937 6.931 -12.150 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.605 8.418 -14.108 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.363 7.343 -14.719 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.541 7.812 -12.093 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.215 9.357 -12.572 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.568 9.761 -14.105 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.502 8.091 -14.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.534 8.739 -13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.743 7.532 -12.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.679 9.150 -12.114 1.00 0.00 H new ATOM 790 N LYS A 53 6.232 7.375 -13.250 1.00 0.00 N ATOM 791 CA LYS A 53 7.541 7.793 -12.763 1.00 0.00 C ATOM 792 C LYS A 53 7.520 7.997 -11.251 1.00 0.00 C ATOM 793 O LYS A 53 8.225 8.856 -10.719 1.00 0.00 O ATOM 794 CB LYS A 53 7.979 9.084 -13.459 1.00 0.00 C ATOM 795 CG LYS A 53 9.428 9.069 -13.918 1.00 0.00 C ATOM 796 CD LYS A 53 9.624 8.166 -15.126 1.00 0.00 C ATOM 797 CE LYS A 53 10.894 7.340 -15.004 1.00 0.00 C ATOM 798 NZ LYS A 53 11.312 6.766 -16.312 1.00 0.00 N ATOM 0 H LYS A 53 5.608 8.144 -13.496 1.00 0.00 H new ATOM 0 HA LYS A 53 8.256 7.004 -12.994 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.336 9.258 -14.322 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.832 9.922 -12.778 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.742 10.083 -14.166 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.065 8.729 -13.102 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.766 7.502 -15.228 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.668 8.772 -16.031 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.696 7.964 -14.609 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.735 6.534 -14.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.182 6.210 -16.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.558 6.150 -16.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.489 7.536 -16.988 1.00 0.00 H new ATOM 812 N GLY A 54 6.709 7.197 -10.564 1.00 0.00 N ATOM 813 CA GLY A 54 6.610 7.303 -9.119 1.00 0.00 C ATOM 814 C GLY A 54 5.563 6.370 -8.541 1.00 0.00 C ATOM 815 O GLY A 54 4.366 6.657 -8.601 1.00 0.00 O ATOM 0 H GLY A 54 6.119 6.478 -10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.579 7.078 -8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.366 8.330 -8.849 1.00 0.00 H new ATOM 819 N GLU A 55 6.013 5.251 -7.980 1.00 0.00 N ATOM 820 CA GLU A 55 5.107 4.272 -7.389 1.00 0.00 C ATOM 821 C GLU A 55 5.632 3.780 -6.043 1.00 0.00 C ATOM 822 O GLU A 55 6.823 3.890 -5.753 1.00 0.00 O ATOM 823 CB GLU A 55 4.916 3.086 -8.335 1.00 0.00 C ATOM 824 CG GLU A 55 3.501 2.530 -8.334 1.00 0.00 C ATOM 825 CD GLU A 55 2.681 3.013 -9.517 1.00 0.00 C ATOM 826 OE1 GLU A 55 3.034 4.062 -10.097 1.00 0.00 O ATOM 827 OE2 GLU A 55 1.687 2.342 -9.861 1.00 0.00 O ATOM 0 H GLU A 55 7.000 5.000 -7.922 1.00 0.00 H new ATOM 0 HA GLU A 55 4.146 4.760 -7.227 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.176 3.394 -9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.609 2.293 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.543 1.441 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.002 2.819 -7.409 1.00 0.00 H new ATOM 834 N ILE A 56 4.726 3.252 -5.223 1.00 0.00 N ATOM 835 CA ILE A 56 5.078 2.748 -3.899 1.00 0.00 C ATOM 836 C ILE A 56 4.008 1.772 -3.396 1.00 0.00 C ATOM 837 O ILE A 56 2.864 1.802 -3.849 1.00 0.00 O ATOM 838 CB ILE A 56 5.263 3.913 -2.889 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.733 4.337 -2.836 1.00 0.00 C ATOM 840 CG2 ILE A 56 4.779 3.532 -1.497 1.00 0.00 C ATOM 841 CD1 ILE A 56 6.973 5.600 -2.036 1.00 0.00 C ATOM 0 H ILE A 56 3.737 3.162 -5.455 1.00 0.00 H new ATOM 0 HA ILE A 56 6.026 2.217 -3.982 1.00 0.00 H new ATOM 0 HB ILE A 56 4.657 4.751 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.320 3.527 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.096 4.487 -3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.925 4.372 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.720 3.277 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.345 2.673 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.037 5.838 -2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.414 6.424 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.642 5.448 -1.009 1.00 0.00 H new ATOM 853 N LEU A 57 4.387 0.898 -2.474 1.00 0.00 N ATOM 854 CA LEU A 57 3.449 -0.065 -1.918 1.00 0.00 C ATOM 855 C LEU A 57 3.777 -0.382 -0.483 1.00 0.00 C ATOM 856 O LEU A 57 4.918 -0.238 -0.043 1.00 0.00 O ATOM 857 CB LEU A 57 3.478 -1.366 -2.703 1.00 0.00 C ATOM 858 CG LEU A 57 2.119 -2.032 -2.918 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.396 -1.397 -4.093 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.287 -3.527 -3.137 1.00 0.00 C ATOM 0 H LEU A 57 5.333 0.836 -2.097 1.00 0.00 H new ATOM 0 HA LEU A 57 2.460 0.389 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.927 -1.173 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.130 -2.069 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 57 1.516 -1.883 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.430 -1.883 -4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.243 -0.336 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.995 -1.515 -4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.309 -3.985 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.908 -3.698 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.764 -3.971 -2.264 1.00 0.00 H new ATOM 872 N GLU A 58 2.782 -0.881 0.224 1.00 0.00 N ATOM 873 CA GLU A 58 2.981 -1.313 1.581 1.00 0.00 C ATOM 874 C GLU A 58 2.142 -2.550 1.862 1.00 0.00 C ATOM 875 O GLU A 58 0.982 -2.620 1.465 1.00 0.00 O ATOM 876 CB GLU A 58 2.635 -0.198 2.576 1.00 0.00 C ATOM 877 CG GLU A 58 2.515 1.182 1.945 1.00 0.00 C ATOM 878 CD GLU A 58 1.630 2.115 2.749 1.00 0.00 C ATOM 879 OE1 GLU A 58 1.915 2.318 3.948 1.00 0.00 O ATOM 880 OE2 GLU A 58 0.651 2.641 2.179 1.00 0.00 O ATOM 0 H GLU A 58 1.830 -0.995 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 58 4.035 -1.559 1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.694 -0.444 3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.401 -0.166 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.508 1.621 1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.112 1.083 0.937 1.00 0.00 H new ATOM 887 N VAL A 59 2.745 -3.540 2.507 1.00 0.00 N ATOM 888 CA VAL A 59 2.054 -4.789 2.802 1.00 0.00 C ATOM 889 C VAL A 59 2.287 -5.224 4.243 1.00 0.00 C ATOM 890 O VAL A 59 3.426 -5.397 4.676 1.00 0.00 O ATOM 891 CB VAL A 59 2.511 -5.924 1.863 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.686 -7.180 2.102 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.423 -5.488 0.409 1.00 0.00 C ATOM 0 H VAL A 59 3.710 -3.503 2.836 1.00 0.00 H new ATOM 0 HA VAL A 59 0.992 -4.600 2.647 1.00 0.00 H new ATOM 0 HB VAL A 59 3.553 -6.153 2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.023 -7.970 1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.809 -7.505 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.634 -6.966 1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.750 -6.304 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.392 -5.227 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.064 -4.621 0.250 1.00 0.00 H new ATOM 903 N VAL A 60 1.199 -5.418 4.973 1.00 0.00 N ATOM 904 CA VAL A 60 1.274 -5.885 6.350 1.00 0.00 C ATOM 905 C VAL A 60 0.379 -7.104 6.530 1.00 0.00 C ATOM 906 O VAL A 60 -0.829 -6.981 6.730 1.00 0.00 O ATOM 907 CB VAL A 60 0.868 -4.785 7.349 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.819 -5.335 8.768 1.00 0.00 C ATOM 909 CG2 VAL A 60 1.832 -3.612 7.260 1.00 0.00 C ATOM 0 H VAL A 60 0.250 -5.259 4.634 1.00 0.00 H new ATOM 0 HA VAL A 60 2.310 -6.154 6.555 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.131 -4.434 7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.530 -4.541 9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.090 -6.143 8.820 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.802 -5.715 9.045 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.534 -2.841 7.971 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.841 -3.952 7.495 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.813 -3.201 6.251 1.00 0.00 H new ATOM 919 N SER A 61 0.969 -8.283 6.398 1.00 0.00 N ATOM 920 CA SER A 61 0.207 -9.516 6.495 1.00 0.00 C ATOM 921 C SER A 61 0.918 -10.551 7.353 1.00 0.00 C ATOM 922 O SER A 61 2.089 -10.396 7.701 1.00 0.00 O ATOM 923 CB SER A 61 -0.043 -10.083 5.097 1.00 0.00 C ATOM 924 OG SER A 61 1.163 -10.174 4.358 1.00 0.00 O ATOM 0 H SER A 61 1.966 -8.410 6.225 1.00 0.00 H new ATOM 0 HA SER A 61 -0.744 -9.283 6.974 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.498 -11.070 5.178 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.751 -9.448 4.565 1.00 0.00 H new ATOM 0 HG SER A 61 0.975 -10.541 3.469 1.00 0.00 H new ATOM 930 N ASP A 62 0.202 -11.625 7.658 1.00 0.00 N ATOM 931 CA ASP A 62 0.748 -12.712 8.461 1.00 0.00 C ATOM 932 C ASP A 62 0.776 -14.006 7.654 1.00 0.00 C ATOM 933 O ASP A 62 -0.244 -14.434 7.116 1.00 0.00 O ATOM 934 CB ASP A 62 -0.088 -12.908 9.724 1.00 0.00 C ATOM 935 CG ASP A 62 0.741 -12.813 10.990 1.00 0.00 C ATOM 936 OD1 ASP A 62 1.140 -11.687 11.356 1.00 0.00 O ATOM 937 OD2 ASP A 62 0.989 -13.864 11.616 1.00 0.00 O ATOM 0 H ASP A 62 -0.763 -11.767 7.360 1.00 0.00 H new ATOM 0 HA ASP A 62 1.767 -12.452 8.746 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.877 -12.157 9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.576 -13.882 9.685 1.00 0.00 H new ATOM 942 N CYS A 63 1.955 -14.613 7.554 1.00 0.00 N ATOM 943 CA CYS A 63 2.112 -15.849 6.795 1.00 0.00 C ATOM 944 C CYS A 63 3.132 -16.775 7.453 1.00 0.00 C ATOM 945 O CYS A 63 4.314 -16.441 7.546 1.00 0.00 O ATOM 946 CB CYS A 63 2.546 -15.534 5.362 1.00 0.00 C ATOM 947 SG CYS A 63 2.605 -16.977 4.273 1.00 0.00 S ATOM 0 H CYS A 63 2.813 -14.271 7.987 1.00 0.00 H new ATOM 0 HA CYS A 63 1.149 -16.359 6.778 1.00 0.00 H new ATOM 0 HB2 CYS A 63 1.859 -14.801 4.939 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.532 -15.070 5.386 1.00 0.00 H new ATOM 0 HG CYS A 63 2.980 -16.608 3.084 1.00 0.00 H new ATOM 953 N PRO A 64 2.691 -17.961 7.914 1.00 0.00 N ATOM 954 CA PRO A 64 3.576 -18.935 8.562 1.00 0.00 C ATOM 955 C PRO A 64 4.724 -19.365 7.654 1.00 0.00 C ATOM 956 O PRO A 64 5.811 -19.693 8.126 1.00 0.00 O ATOM 957 CB PRO A 64 2.656 -20.126 8.857 1.00 0.00 C ATOM 958 CG PRO A 64 1.278 -19.559 8.849 1.00 0.00 C ATOM 959 CD PRO A 64 1.299 -18.443 7.845 1.00 0.00 C ATOM 0 HA PRO A 64 4.050 -18.520 9.451 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.766 -20.906 8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.892 -20.578 9.821 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.545 -20.318 8.575 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.001 -19.191 9.837 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.043 -18.794 6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.587 -17.658 8.099 1.00 0.00 H new ATOM 967 N GLN A 65 4.471 -19.361 6.349 1.00 0.00 N ATOM 968 CA GLN A 65 5.483 -19.751 5.373 1.00 0.00 C ATOM 969 C GLN A 65 6.488 -18.626 5.149 1.00 0.00 C ATOM 970 O GLN A 65 6.585 -17.699 5.953 1.00 0.00 O ATOM 971 CB GLN A 65 4.820 -20.135 4.049 1.00 0.00 C ATOM 972 CG GLN A 65 4.997 -21.601 3.683 1.00 0.00 C ATOM 973 CD GLN A 65 3.817 -22.157 2.911 1.00 0.00 C ATOM 974 OE1 GLN A 65 2.747 -21.548 2.863 1.00 0.00 O ATOM 975 NE2 GLN A 65 4.005 -23.321 2.300 1.00 0.00 N ATOM 0 H GLN A 65 3.575 -19.092 5.943 1.00 0.00 H new ATOM 0 HA GLN A 65 6.019 -20.615 5.766 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.755 -19.909 4.106 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.234 -19.517 3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.903 -21.716 3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.138 -22.184 4.593 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.908 -23.792 2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.247 -23.744 1.765 1.00 0.00 H new ATOM 984 N SER A 66 7.238 -18.716 4.055 1.00 0.00 N ATOM 985 CA SER A 66 8.245 -17.712 3.731 1.00 0.00 C ATOM 986 C SER A 66 7.939 -17.035 2.400 1.00 0.00 C ATOM 987 O SER A 66 8.379 -15.914 2.149 1.00 0.00 O ATOM 988 CB SER A 66 9.630 -18.355 3.676 1.00 0.00 C ATOM 989 OG SER A 66 9.902 -19.089 4.858 1.00 0.00 O ATOM 0 H SER A 66 7.167 -19.475 3.377 1.00 0.00 H new ATOM 0 HA SER A 66 8.228 -16.954 4.514 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.693 -19.016 2.812 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.387 -17.583 3.542 1.00 0.00 H new ATOM 0 HG SER A 66 10.793 -19.491 4.795 1.00 0.00 H new ATOM 995 N ILE A 67 7.195 -17.730 1.546 1.00 0.00 N ATOM 996 CA ILE A 67 6.840 -17.202 0.234 1.00 0.00 C ATOM 997 C ILE A 67 6.127 -15.858 0.354 1.00 0.00 C ATOM 998 O ILE A 67 5.099 -15.744 1.023 1.00 0.00 O ATOM 999 CB ILE A 67 5.940 -18.184 -0.542 1.00 0.00 C ATOM 1000 CG1 ILE A 67 6.597 -19.563 -0.609 1.00 0.00 C ATOM 1001 CG2 ILE A 67 5.656 -17.658 -1.942 1.00 0.00 C ATOM 1002 CD1 ILE A 67 5.901 -20.607 0.237 1.00 0.00 C ATOM 0 H ILE A 67 6.826 -18.661 1.739 1.00 0.00 H new ATOM 0 HA ILE A 67 7.772 -17.065 -0.314 1.00 0.00 H new ATOM 0 HB ILE A 67 4.991 -18.277 -0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.613 -19.899 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.635 -19.478 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.019 -18.365 -2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.150 -16.695 -1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.595 -17.537 -2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.422 -21.560 0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.908 -20.293 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.871 -20.721 -0.100 1.00 0.00 H new ATOM 1014 N ASN A 68 6.687 -14.842 -0.296 1.00 0.00 N ATOM 1015 CA ASN A 68 6.106 -13.503 -0.277 1.00 0.00 C ATOM 1016 C ASN A 68 4.953 -13.406 -1.270 1.00 0.00 C ATOM 1017 O ASN A 68 5.109 -13.737 -2.442 1.00 0.00 O ATOM 1018 CB ASN A 68 7.175 -12.459 -0.608 1.00 0.00 C ATOM 1019 CG ASN A 68 8.561 -13.060 -0.738 1.00 0.00 C ATOM 1020 OD1 ASN A 68 9.125 -13.118 -1.831 1.00 0.00 O ATOM 1021 ND2 ASN A 68 9.119 -13.511 0.380 1.00 0.00 N ATOM 0 H ASN A 68 7.544 -14.921 -0.843 1.00 0.00 H new ATOM 0 HA ASN A 68 5.719 -13.308 0.723 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.912 -11.959 -1.540 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.186 -11.697 0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.051 -13.925 0.354 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.616 -13.443 1.265 1.00 0.00 H new ATOM 1028 N ASN A 69 3.782 -13.007 -0.783 1.00 0.00 N ATOM 1029 CA ASN A 69 2.591 -12.915 -1.625 1.00 0.00 C ATOM 1030 C ASN A 69 2.629 -11.717 -2.575 1.00 0.00 C ATOM 1031 O ASN A 69 3.019 -11.846 -3.736 1.00 0.00 O ATOM 1032 CB ASN A 69 1.333 -12.848 -0.756 1.00 0.00 C ATOM 1033 CG ASN A 69 0.094 -13.300 -1.502 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -0.892 -12.568 -1.592 1.00 0.00 O ATOM 1035 ND2 ASN A 69 0.139 -14.511 -2.045 1.00 0.00 N ATOM 0 H ASN A 69 3.631 -12.742 0.190 1.00 0.00 H new ATOM 0 HA ASN A 69 2.570 -13.814 -2.240 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.471 -13.472 0.127 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.190 -11.826 -0.405 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.665 -14.868 -2.562 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.977 -15.084 -1.946 1.00 0.00 H new ATOM 1042 N ILE A 70 2.153 -10.569 -2.091 1.00 0.00 N ATOM 1043 CA ILE A 70 2.039 -9.361 -2.911 1.00 0.00 C ATOM 1044 C ILE A 70 3.301 -9.073 -3.734 1.00 0.00 C ATOM 1045 O ILE A 70 3.217 -8.894 -4.952 1.00 0.00 O ATOM 1046 CB ILE A 70 1.690 -8.117 -2.060 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.680 -8.472 -0.960 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.144 -7.005 -2.945 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.567 -9.163 -1.472 1.00 0.00 C ATOM 0 H ILE A 70 1.838 -10.450 -1.128 1.00 0.00 H new ATOM 0 HA ILE A 70 1.223 -9.563 -3.605 1.00 0.00 H new ATOM 0 HB ILE A 70 2.604 -7.765 -1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.166 -9.117 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.390 -7.560 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.903 -6.137 -2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.894 -6.729 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.244 -7.352 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.231 -9.381 -0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.078 -8.512 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.290 -10.093 -1.968 1.00 0.00 H new ATOM 1061 N PRO A 71 4.487 -8.995 -3.097 1.00 0.00 N ATOM 1062 CA PRO A 71 5.734 -8.689 -3.807 1.00 0.00 C ATOM 1063 C PRO A 71 6.060 -9.701 -4.903 1.00 0.00 C ATOM 1064 O PRO A 71 6.743 -9.371 -5.871 1.00 0.00 O ATOM 1065 CB PRO A 71 6.806 -8.721 -2.712 1.00 0.00 C ATOM 1066 CG PRO A 71 6.183 -9.453 -1.576 1.00 0.00 C ATOM 1067 CD PRO A 71 4.712 -9.170 -1.653 1.00 0.00 C ATOM 0 HA PRO A 71 5.666 -7.731 -4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.708 -9.226 -3.059 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.098 -7.713 -2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.378 -10.523 -1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.595 -9.118 -0.624 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.121 -9.991 -1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.442 -8.276 -1.091 1.00 0.00 H new ATOM 1075 N LEU A 72 5.571 -10.932 -4.754 1.00 0.00 N ATOM 1076 CA LEU A 72 5.823 -11.971 -5.751 1.00 0.00 C ATOM 1077 C LEU A 72 5.157 -11.624 -7.075 1.00 0.00 C ATOM 1078 O LEU A 72 5.716 -11.865 -8.145 1.00 0.00 O ATOM 1079 CB LEU A 72 5.315 -13.326 -5.258 1.00 0.00 C ATOM 1080 CG LEU A 72 5.616 -14.507 -6.184 1.00 0.00 C ATOM 1081 CD1 LEU A 72 7.025 -15.029 -5.944 1.00 0.00 C ATOM 1082 CD2 LEU A 72 4.595 -15.616 -5.982 1.00 0.00 C ATOM 0 H LEU A 72 5.004 -11.232 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 72 6.900 -12.031 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.755 -13.528 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.236 -13.262 -5.115 1.00 0.00 H new ATOM 0 HG LEU A 72 5.549 -14.161 -7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.221 -15.868 -6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.745 -14.235 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.120 -15.358 -4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.824 -16.448 -6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.630 -15.959 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.597 -15.237 -6.205 1.00 0.00 H new ATOM 1094 N ASP A 73 3.956 -11.061 -6.996 1.00 0.00 N ATOM 1095 CA ASP A 73 3.215 -10.673 -8.189 1.00 0.00 C ATOM 1096 C ASP A 73 3.996 -9.641 -8.994 1.00 0.00 C ATOM 1097 O ASP A 73 4.183 -9.794 -10.201 1.00 0.00 O ATOM 1098 CB ASP A 73 1.844 -10.111 -7.805 1.00 0.00 C ATOM 1099 CG ASP A 73 0.724 -11.103 -8.051 1.00 0.00 C ATOM 1100 OD1 ASP A 73 0.770 -12.206 -7.468 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.201 -10.775 -8.824 1.00 0.00 O ATOM 0 H ASP A 73 3.476 -10.864 -6.118 1.00 0.00 H new ATOM 0 HA ASP A 73 3.072 -11.560 -8.806 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.852 -9.829 -6.752 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.653 -9.203 -8.377 1.00 0.00 H new ATOM 1106 N ALA A 74 4.464 -8.601 -8.313 1.00 0.00 N ATOM 1107 CA ALA A 74 5.236 -7.550 -8.966 1.00 0.00 C ATOM 1108 C ALA A 74 6.625 -8.053 -9.351 1.00 0.00 C ATOM 1109 O ALA A 74 7.233 -7.564 -10.303 1.00 0.00 O ATOM 1110 CB ALA A 74 5.341 -6.333 -8.062 1.00 0.00 C ATOM 0 H ALA A 74 4.323 -8.463 -7.312 1.00 0.00 H new ATOM 0 HA ALA A 74 4.716 -7.262 -9.880 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.920 -5.557 -8.563 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.342 -5.956 -7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.836 -6.612 -7.132 1.00 0.00 H new ATOM 1116 N ARG A 75 7.116 -9.040 -8.607 1.00 0.00 N ATOM 1117 CA ARG A 75 8.431 -9.617 -8.867 1.00 0.00 C ATOM 1118 C ARG A 75 8.414 -10.463 -10.136 1.00 0.00 C ATOM 1119 O ARG A 75 9.399 -10.514 -10.873 1.00 0.00 O ATOM 1120 CB ARG A 75 8.873 -10.470 -7.675 1.00 0.00 C ATOM 1121 CG ARG A 75 10.149 -11.260 -7.923 1.00 0.00 C ATOM 1122 CD ARG A 75 11.013 -11.328 -6.675 1.00 0.00 C ATOM 1123 NE ARG A 75 11.831 -10.130 -6.510 1.00 0.00 N ATOM 1124 CZ ARG A 75 12.623 -9.914 -5.465 1.00 0.00 C ATOM 1125 NH1 ARG A 75 12.707 -10.813 -4.492 1.00 0.00 N ATOM 1126 NH2 ARG A 75 13.335 -8.797 -5.391 1.00 0.00 N ATOM 0 H ARG A 75 6.622 -9.457 -7.818 1.00 0.00 H new ATOM 0 HA ARG A 75 9.140 -8.802 -9.009 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.021 -9.822 -6.811 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.072 -11.163 -7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.896 -12.269 -8.247 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.713 -10.797 -8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.376 -11.455 -5.800 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.660 -12.204 -6.729 1.00 0.00 H new ATOM 0 HE ARG A 75 11.792 -9.418 -7.239 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.162 -11.674 -4.545 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.316 -10.643 -3.692 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.275 -8.103 -6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.943 -8.632 -4.589 1.00 0.00 H new ATOM 1140 N ASN A 76 7.291 -11.132 -10.378 1.00 0.00 N ATOM 1141 CA ASN A 76 7.145 -11.983 -11.553 1.00 0.00 C ATOM 1142 C ASN A 76 7.239 -11.164 -12.836 1.00 0.00 C ATOM 1143 O ASN A 76 8.162 -11.342 -13.631 1.00 0.00 O ATOM 1144 CB ASN A 76 5.807 -12.725 -11.503 1.00 0.00 C ATOM 1145 CG ASN A 76 5.877 -14.087 -12.167 1.00 0.00 C ATOM 1146 OD1 ASN A 76 5.053 -14.417 -13.020 1.00 0.00 O ATOM 1147 ND2 ASN A 76 6.864 -14.885 -11.777 1.00 0.00 N ATOM 0 H ASN A 76 6.469 -11.101 -9.775 1.00 0.00 H new ATOM 0 HA ASN A 76 7.958 -12.709 -11.550 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.500 -12.845 -10.464 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.042 -12.123 -11.994 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.962 -15.813 -12.188 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.524 -14.570 -11.066 1.00 0.00 H new ATOM 1154 N HIS A 77 6.280 -10.266 -13.029 1.00 0.00 N ATOM 1155 CA HIS A 77 6.254 -9.417 -14.214 1.00 0.00 C ATOM 1156 C HIS A 77 7.459 -8.481 -14.239 1.00 0.00 C ATOM 1157 O HIS A 77 7.943 -8.105 -15.308 1.00 0.00 O ATOM 1158 CB HIS A 77 4.961 -8.602 -14.251 1.00 0.00 C ATOM 1159 CG HIS A 77 4.461 -8.333 -15.636 1.00 0.00 C ATOM 1160 ND1 HIS A 77 4.705 -7.136 -16.265 1.00 0.00 N ATOM 1161 CD2 HIS A 77 3.740 -9.129 -16.463 1.00 0.00 C ATOM 1162 CE1 HIS A 77 4.133 -7.227 -17.453 1.00 0.00 C ATOM 1163 NE2 HIS A 77 3.538 -8.417 -17.616 1.00 0.00 N ATOM 0 H HIS A 77 5.510 -10.107 -12.380 1.00 0.00 H new ATOM 0 HA HIS A 77 6.298 -10.059 -15.093 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.190 -9.133 -13.692 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.126 -7.652 -13.742 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.392 -10.130 -16.254 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.144 -6.444 -18.196 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.031 -8.733 -18.443 1.00 0.00 H new ATOM 1171 N GLY A 78 7.937 -8.108 -13.055 1.00 0.00 N ATOM 1172 CA GLY A 78 9.084 -7.225 -12.961 1.00 0.00 C ATOM 1173 C GLY A 78 8.694 -5.759 -12.980 1.00 0.00 C ATOM 1174 O GLY A 78 8.497 -5.176 -14.047 1.00 0.00 O ATOM 0 H GLY A 78 7.549 -8.402 -12.159 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.629 -7.440 -12.042 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.763 -7.427 -13.789 1.00 0.00 H new ATOM 1178 N TYR A 79 8.587 -5.160 -11.797 1.00 0.00 N ATOM 1179 CA TYR A 79 8.226 -3.751 -11.682 1.00 0.00 C ATOM 1180 C TYR A 79 9.476 -2.874 -11.614 1.00 0.00 C ATOM 1181 O TYR A 79 10.137 -2.643 -12.628 1.00 0.00 O ATOM 1182 CB TYR A 79 7.345 -3.524 -10.448 1.00 0.00 C ATOM 1183 CG TYR A 79 6.342 -2.403 -10.610 1.00 0.00 C ATOM 1184 CD1 TYR A 79 6.736 -1.148 -11.061 1.00 0.00 C ATOM 1185 CD2 TYR A 79 5.002 -2.596 -10.301 1.00 0.00 C ATOM 1186 CE1 TYR A 79 5.822 -0.123 -11.207 1.00 0.00 C ATOM 1187 CE2 TYR A 79 4.081 -1.575 -10.444 1.00 0.00 C ATOM 1188 CZ TYR A 79 4.496 -0.341 -10.898 1.00 0.00 C ATOM 1189 OH TYR A 79 3.584 0.678 -11.042 1.00 0.00 O ATOM 0 H TYR A 79 8.745 -5.629 -10.905 1.00 0.00 H new ATOM 0 HA TYR A 79 7.660 -3.470 -12.570 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.811 -4.446 -10.220 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.984 -3.306 -9.592 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.774 -0.972 -11.301 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.674 -3.560 -9.943 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.144 0.845 -11.562 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.042 -1.743 -10.201 1.00 0.00 H new ATOM 0 HH TYR A 79 2.889 0.407 -11.677 1.00 0.00 H new ATOM 1199 N THR A 80 9.796 -2.388 -10.418 1.00 0.00 N ATOM 1200 CA THR A 80 10.968 -1.542 -10.224 1.00 0.00 C ATOM 1201 C THR A 80 11.769 -1.996 -9.009 1.00 0.00 C ATOM 1202 O THR A 80 12.879 -2.511 -9.143 1.00 0.00 O ATOM 1203 CB THR A 80 10.545 -0.081 -10.054 1.00 0.00 C ATOM 1204 OG1 THR A 80 9.544 0.265 -10.996 1.00 0.00 O ATOM 1205 CG2 THR A 80 11.687 0.897 -10.217 1.00 0.00 C ATOM 0 H THR A 80 9.260 -2.566 -9.569 1.00 0.00 H new ATOM 0 HA THR A 80 11.600 -1.629 -11.108 1.00 0.00 H new ATOM 0 HB THR A 80 10.169 -0.007 -9.033 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.961 0.452 -11.863 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.317 1.914 -10.084 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.453 0.689 -9.470 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.115 0.794 -11.214 1.00 0.00 H new ATOM 1213 N VAL A 81 11.198 -1.804 -7.824 1.00 0.00 N ATOM 1214 CA VAL A 81 11.860 -2.195 -6.585 1.00 0.00 C ATOM 1215 C VAL A 81 10.963 -3.099 -5.744 1.00 0.00 C ATOM 1216 O VAL A 81 9.865 -2.712 -5.352 1.00 0.00 O ATOM 1217 CB VAL A 81 12.267 -0.968 -5.748 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.384 -1.331 -4.781 1.00 0.00 C ATOM 1219 CG2 VAL A 81 12.687 0.184 -6.648 1.00 0.00 C ATOM 0 H VAL A 81 10.279 -1.380 -7.696 1.00 0.00 H new ATOM 0 HA VAL A 81 12.759 -2.742 -6.868 1.00 0.00 H new ATOM 0 HB VAL A 81 11.402 -0.646 -5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.660 -0.453 -4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.043 -2.120 -4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.251 -1.681 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.970 1.040 -6.035 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.537 -0.122 -7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.856 0.461 -7.296 1.00 0.00 H new ATOM 1229 N LEU A 82 11.454 -4.301 -5.463 1.00 0.00 N ATOM 1230 CA LEU A 82 10.715 -5.278 -4.670 1.00 0.00 C ATOM 1231 C LEU A 82 11.536 -5.709 -3.456 1.00 0.00 C ATOM 1232 O LEU A 82 12.491 -6.475 -3.584 1.00 0.00 O ATOM 1233 CB LEU A 82 10.387 -6.516 -5.521 1.00 0.00 C ATOM 1234 CG LEU A 82 9.258 -6.347 -6.547 1.00 0.00 C ATOM 1235 CD1 LEU A 82 7.996 -5.830 -5.880 1.00 0.00 C ATOM 1236 CD2 LEU A 82 9.688 -5.424 -7.677 1.00 0.00 C ATOM 0 H LEU A 82 12.369 -4.625 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 82 9.789 -4.812 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.290 -6.818 -6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.122 -7.334 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 82 9.039 -7.326 -6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.210 -5.718 -6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.673 -6.537 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.198 -4.864 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.872 -5.319 -8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.942 -4.445 -7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.559 -5.845 -8.180 1.00 0.00 H new ATOM 1248 N ASP A 83 11.166 -5.211 -2.280 1.00 0.00 N ATOM 1249 CA ASP A 83 11.878 -5.549 -1.052 1.00 0.00 C ATOM 1250 C ASP A 83 10.906 -5.927 0.060 1.00 0.00 C ATOM 1251 O ASP A 83 9.737 -5.543 0.030 1.00 0.00 O ATOM 1252 CB ASP A 83 12.751 -4.375 -0.602 1.00 0.00 C ATOM 1253 CG ASP A 83 12.020 -3.049 -0.674 1.00 0.00 C ATOM 1254 OD1 ASP A 83 11.844 -2.529 -1.795 1.00 0.00 O ATOM 1255 OD2 ASP A 83 11.625 -2.531 0.391 1.00 0.00 O ATOM 0 H ASP A 83 10.380 -4.574 -2.151 1.00 0.00 H new ATOM 0 HA ASP A 83 12.514 -6.409 -1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.086 -4.547 0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.643 -4.329 -1.227 1.00 0.00 H new ATOM 1260 N ILE A 84 11.392 -6.686 1.037 1.00 0.00 N ATOM 1261 CA ILE A 84 10.558 -7.116 2.154 1.00 0.00 C ATOM 1262 C ILE A 84 11.313 -7.047 3.477 1.00 0.00 C ATOM 1263 O ILE A 84 12.515 -6.783 3.509 1.00 0.00 O ATOM 1264 CB ILE A 84 10.036 -8.553 1.951 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.189 -9.557 2.018 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.299 -8.669 0.626 1.00 0.00 C ATOM 1267 CD1 ILE A 84 10.736 -10.997 2.116 1.00 0.00 C ATOM 0 H ILE A 84 12.356 -7.015 1.078 1.00 0.00 H new ATOM 0 HA ILE A 84 9.712 -6.429 2.188 1.00 0.00 H new ATOM 0 HB ILE A 84 9.336 -8.783 2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.812 -9.441 1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 84 11.814 -9.322 2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.937 -9.689 0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.454 -7.981 0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.977 -8.420 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.607 -11.650 2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 84 10.138 -11.130 3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 84 10.136 -11.250 1.242 1.00 0.00 H new ATOM 1279 N GLN A 85 10.590 -7.286 4.567 1.00 0.00 N ATOM 1280 CA GLN A 85 11.168 -7.268 5.904 1.00 0.00 C ATOM 1281 C GLN A 85 10.357 -8.151 6.845 1.00 0.00 C ATOM 1282 O GLN A 85 9.213 -8.496 6.551 1.00 0.00 O ATOM 1283 CB GLN A 85 11.217 -5.836 6.445 1.00 0.00 C ATOM 1284 CG GLN A 85 12.474 -5.077 6.054 1.00 0.00 C ATOM 1285 CD GLN A 85 12.710 -3.855 6.918 1.00 0.00 C ATOM 1286 OE1 GLN A 85 13.829 -3.604 7.366 1.00 0.00 O ATOM 1287 NE2 GLN A 85 11.655 -3.087 7.158 1.00 0.00 N ATOM 0 H GLN A 85 9.592 -7.496 4.548 1.00 0.00 H new ATOM 0 HA GLN A 85 12.184 -7.657 5.844 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.346 -5.290 6.082 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.144 -5.865 7.532 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.334 -5.742 6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.399 -4.771 5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.746 -3.333 6.766 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.753 -2.251 7.734 1.00 0.00 H new ATOM 1296 N GLN A 86 10.950 -8.511 7.977 1.00 0.00 N ATOM 1297 CA GLN A 86 10.274 -9.356 8.957 1.00 0.00 C ATOM 1298 C GLN A 86 10.648 -8.946 10.378 1.00 0.00 C ATOM 1299 O GLN A 86 11.752 -8.459 10.622 1.00 0.00 O ATOM 1300 CB GLN A 86 10.632 -10.825 8.727 1.00 0.00 C ATOM 1301 CG GLN A 86 9.525 -11.792 9.116 1.00 0.00 C ATOM 1302 CD GLN A 86 9.797 -13.210 8.651 1.00 0.00 C ATOM 1303 OE1 GLN A 86 10.778 -13.470 7.954 1.00 0.00 O ATOM 1304 NE2 GLN A 86 8.928 -14.136 9.035 1.00 0.00 N ATOM 0 H GLN A 86 11.895 -8.232 8.240 1.00 0.00 H new ATOM 0 HA GLN A 86 9.199 -9.227 8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 86 10.876 -10.970 7.675 1.00 0.00 H new ATOM 0 HB3 GLN A 86 11.529 -11.065 9.298 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.407 -11.786 10.200 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.582 -11.449 8.690 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.128 -13.877 9.613 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.060 -15.107 8.753 1.00 0.00 H new ATOM 1313 N ASP A 87 9.721 -9.141 11.312 1.00 0.00 N ATOM 1314 CA ASP A 87 9.962 -8.795 12.707 1.00 0.00 C ATOM 1315 C ASP A 87 9.889 -10.033 13.593 1.00 0.00 C ATOM 1316 O ASP A 87 10.915 -10.618 13.944 1.00 0.00 O ATOM 1317 CB ASP A 87 8.945 -7.752 13.179 1.00 0.00 C ATOM 1318 CG ASP A 87 9.279 -6.356 12.693 1.00 0.00 C ATOM 1319 OD1 ASP A 87 10.353 -5.839 13.066 1.00 0.00 O ATOM 1320 OD2 ASP A 87 8.467 -5.778 11.940 1.00 0.00 O ATOM 0 H ASP A 87 8.799 -9.536 11.127 1.00 0.00 H new ATOM 0 HA ASP A 87 10.964 -8.374 12.784 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.953 -8.030 12.823 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.905 -7.754 14.268 1.00 0.00 H new ATOM 1325 N GLY A 88 8.672 -10.426 13.952 1.00 0.00 N ATOM 1326 CA GLY A 88 8.485 -11.596 14.788 1.00 0.00 C ATOM 1327 C GLY A 88 7.295 -12.430 14.355 1.00 0.00 C ATOM 1328 O GLY A 88 7.440 -13.347 13.546 1.00 0.00 O ATOM 0 H GLY A 88 7.810 -9.954 13.678 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.386 -12.209 14.757 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.348 -11.282 15.823 1.00 0.00 H new ATOM 1332 N PRO A 89 6.090 -12.125 14.868 1.00 0.00 N ATOM 1333 CA PRO A 89 4.877 -12.867 14.532 1.00 0.00 C ATOM 1334 C PRO A 89 4.216 -12.374 13.247 1.00 0.00 C ATOM 1335 O PRO A 89 3.189 -12.907 12.827 1.00 0.00 O ATOM 1336 CB PRO A 89 3.977 -12.589 15.733 1.00 0.00 C ATOM 1337 CG PRO A 89 4.355 -11.216 16.170 1.00 0.00 C ATOM 1338 CD PRO A 89 5.821 -11.053 15.849 1.00 0.00 C ATOM 0 HA PRO A 89 5.078 -13.923 14.349 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.923 -12.643 15.461 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.139 -13.317 16.528 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.758 -10.466 15.651 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.174 -11.085 17.237 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.032 -10.068 15.433 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.440 -11.162 16.740 1.00 0.00 H new ATOM 1346 N THR A 90 4.798 -11.345 12.632 1.00 0.00 N ATOM 1347 CA THR A 90 4.248 -10.784 11.401 1.00 0.00 C ATOM 1348 C THR A 90 5.349 -10.503 10.383 1.00 0.00 C ATOM 1349 O THR A 90 6.535 -10.662 10.674 1.00 0.00 O ATOM 1350 CB THR A 90 3.480 -9.492 11.692 1.00 0.00 C ATOM 1351 OG1 THR A 90 4.367 -8.389 11.762 1.00 0.00 O ATOM 1352 CG2 THR A 90 2.693 -9.531 12.985 1.00 0.00 C ATOM 0 H THR A 90 5.646 -10.886 12.965 1.00 0.00 H new ATOM 0 HA THR A 90 3.564 -11.522 10.982 1.00 0.00 H new ATOM 0 HB THR A 90 2.776 -9.386 10.866 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.859 -7.572 11.947 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.175 -8.582 13.125 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.963 -10.340 12.943 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.373 -9.699 13.820 1.00 0.00 H new ATOM 1360 N ILE A 91 4.942 -10.068 9.195 1.00 0.00 N ATOM 1361 CA ILE A 91 5.881 -9.756 8.126 1.00 0.00 C ATOM 1362 C ILE A 91 5.364 -8.601 7.271 1.00 0.00 C ATOM 1363 O ILE A 91 4.162 -8.482 7.033 1.00 0.00 O ATOM 1364 CB ILE A 91 6.141 -10.986 7.238 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.022 -10.608 6.044 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.825 -11.588 6.771 1.00 0.00 C ATOM 1367 CD1 ILE A 91 7.860 -11.753 5.518 1.00 0.00 C ATOM 0 H ILE A 91 3.963 -9.923 8.949 1.00 0.00 H new ATOM 0 HA ILE A 91 6.821 -9.459 8.591 1.00 0.00 H new ATOM 0 HB ILE A 91 6.670 -11.736 7.826 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.388 -10.235 5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.682 -9.791 6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.025 -12.457 6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.237 -11.893 7.637 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.269 -10.847 6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.457 -11.409 4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.521 -12.113 6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.207 -12.563 5.194 1.00 0.00 H new ATOM 1379 N ARG A 92 6.280 -7.748 6.818 1.00 0.00 N ATOM 1380 CA ARG A 92 5.913 -6.588 6.016 1.00 0.00 C ATOM 1381 C ARG A 92 6.647 -6.586 4.675 1.00 0.00 C ATOM 1382 O ARG A 92 7.853 -6.815 4.613 1.00 0.00 O ATOM 1383 CB ARG A 92 6.225 -5.303 6.791 1.00 0.00 C ATOM 1384 CG ARG A 92 6.482 -4.091 5.911 1.00 0.00 C ATOM 1385 CD ARG A 92 7.238 -3.009 6.663 1.00 0.00 C ATOM 1386 NE ARG A 92 6.402 -1.842 6.930 1.00 0.00 N ATOM 1387 CZ ARG A 92 6.888 -0.629 7.177 1.00 0.00 C ATOM 1388 NH1 ARG A 92 8.198 -0.425 7.191 1.00 0.00 N ATOM 1389 NH2 ARG A 92 6.062 0.383 7.410 1.00 0.00 N ATOM 0 H ARG A 92 7.281 -7.840 6.994 1.00 0.00 H new ATOM 0 HA ARG A 92 4.844 -6.638 5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.392 -5.083 7.458 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.099 -5.474 7.419 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.053 -4.392 5.033 1.00 0.00 H new ATOM 0 HG3 ARG A 92 5.533 -3.692 5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.608 -3.413 7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.109 -2.706 6.083 1.00 0.00 H new ATOM 0 HE ARG A 92 5.389 -1.964 6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.837 -1.200 7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.567 0.507 7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.053 0.231 7.400 1.00 0.00 H new ATOM 0 HH22 ARG A 92 6.436 1.313 7.599 1.00 0.00 H new ATOM 1403 N TYR A 93 5.906 -6.299 3.610 1.00 0.00 N ATOM 1404 CA TYR A 93 6.463 -6.239 2.264 1.00 0.00 C ATOM 1405 C TYR A 93 6.179 -4.870 1.651 1.00 0.00 C ATOM 1406 O TYR A 93 5.139 -4.277 1.922 1.00 0.00 O ATOM 1407 CB TYR A 93 5.859 -7.336 1.377 1.00 0.00 C ATOM 1408 CG TYR A 93 5.610 -8.659 2.080 1.00 0.00 C ATOM 1409 CD1 TYR A 93 4.637 -8.782 3.066 1.00 0.00 C ATOM 1410 CD2 TYR A 93 6.318 -9.797 1.717 1.00 0.00 C ATOM 1411 CE1 TYR A 93 4.406 -9.992 3.694 1.00 0.00 C ATOM 1412 CE2 TYR A 93 6.087 -11.011 2.335 1.00 0.00 C ATOM 1413 CZ TYR A 93 5.129 -11.104 3.319 1.00 0.00 C ATOM 1414 OH TYR A 93 4.901 -12.313 3.935 1.00 0.00 O ATOM 0 H TYR A 93 4.906 -6.102 3.655 1.00 0.00 H new ATOM 0 HA TYR A 93 7.540 -6.397 2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.915 -6.975 0.968 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.526 -7.509 0.533 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.052 -7.918 3.346 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.063 -9.732 0.938 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.663 -10.065 4.474 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.656 -11.883 2.047 1.00 0.00 H new ATOM 0 HH TYR A 93 5.494 -12.992 3.552 1.00 0.00 H new ATOM 1424 N LEU A 94 7.100 -4.357 0.843 1.00 0.00 N ATOM 1425 CA LEU A 94 6.909 -3.042 0.236 1.00 0.00 C ATOM 1426 C LEU A 94 7.684 -2.899 -1.068 1.00 0.00 C ATOM 1427 O LEU A 94 8.757 -3.475 -1.238 1.00 0.00 O ATOM 1428 CB LEU A 94 7.339 -1.946 1.215 1.00 0.00 C ATOM 1429 CG LEU A 94 8.713 -2.152 1.854 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.443 -0.824 1.987 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.574 -2.826 3.211 1.00 0.00 C ATOM 0 H LEU A 94 7.974 -4.822 0.595 1.00 0.00 H new ATOM 0 HA LEU A 94 5.849 -2.938 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.339 -0.991 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.594 -1.875 2.007 1.00 0.00 H new ATOM 0 HG LEU A 94 9.301 -2.803 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.419 -0.989 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.575 -0.381 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.859 -0.149 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.561 -2.965 3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.969 -2.201 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.092 -3.796 3.088 1.00 0.00 H new ATOM 1443 N ILE A 95 7.127 -2.107 -1.982 1.00 0.00 N ATOM 1444 CA ILE A 95 7.761 -1.851 -3.271 1.00 0.00 C ATOM 1445 C ILE A 95 7.773 -0.351 -3.560 1.00 0.00 C ATOM 1446 O ILE A 95 6.972 0.399 -3.005 1.00 0.00 O ATOM 1447 CB ILE A 95 7.053 -2.615 -4.420 1.00 0.00 C ATOM 1448 CG1 ILE A 95 6.069 -1.711 -5.179 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.321 -3.830 -3.869 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.653 -1.085 -6.427 1.00 0.00 C ATOM 0 H ILE A 95 6.235 -1.630 -1.852 1.00 0.00 H new ATOM 0 HA ILE A 95 8.787 -2.216 -3.217 1.00 0.00 H new ATOM 0 HB ILE A 95 7.820 -2.941 -5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.191 -2.296 -5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.729 -0.919 -4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.828 -4.358 -4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.035 -4.496 -3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.575 -3.507 -3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.899 -0.461 -6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.513 -0.472 -6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.967 -1.870 -7.115 1.00 0.00 H new ATOM 1462 N GLN A 96 8.690 0.085 -4.416 1.00 0.00 N ATOM 1463 CA GLN A 96 8.790 1.500 -4.759 1.00 0.00 C ATOM 1464 C GLN A 96 9.280 1.683 -6.192 1.00 0.00 C ATOM 1465 O GLN A 96 9.563 0.712 -6.892 1.00 0.00 O ATOM 1466 CB GLN A 96 9.735 2.215 -3.790 1.00 0.00 C ATOM 1467 CG GLN A 96 11.174 1.738 -3.882 1.00 0.00 C ATOM 1468 CD GLN A 96 11.817 1.554 -2.521 1.00 0.00 C ATOM 1469 OE1 GLN A 96 11.179 1.084 -1.579 1.00 0.00 O ATOM 1470 NE2 GLN A 96 13.087 1.924 -2.414 1.00 0.00 N ATOM 0 H GLN A 96 9.370 -0.515 -4.882 1.00 0.00 H new ATOM 0 HA GLN A 96 7.795 1.937 -4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.703 3.286 -3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.377 2.068 -2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.205 0.793 -4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.755 2.457 -4.460 1.00 0.00 H new ATOM 0 HE21 GLN A 96 13.576 2.309 -3.222 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.574 1.824 -1.524 1.00 0.00 H new ATOM 1479 N LYS A 97 9.382 2.939 -6.616 1.00 0.00 N ATOM 1480 CA LYS A 97 9.846 3.259 -7.960 1.00 0.00 C ATOM 1481 C LYS A 97 10.792 4.456 -7.933 1.00 0.00 C ATOM 1482 O LYS A 97 11.838 4.399 -8.614 1.00 0.00 O ATOM 1483 CB LYS A 97 8.652 3.545 -8.879 1.00 0.00 C ATOM 1484 CG LYS A 97 9.006 4.341 -10.128 1.00 0.00 C ATOM 1485 CD LYS A 97 9.214 3.433 -11.329 1.00 0.00 C ATOM 1486 CE LYS A 97 10.144 4.065 -12.353 1.00 0.00 C ATOM 1487 NZ LYS A 97 10.127 3.331 -13.648 1.00 0.00 N ATOM 1488 OXT LYS A 97 10.479 5.440 -7.230 1.00 0.00 O ATOM 0 H LYS A 97 9.149 3.752 -6.046 1.00 0.00 H new ATOM 0 HA LYS A 97 10.392 2.400 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.203 2.598 -9.180 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.896 4.091 -8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.210 5.054 -10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.912 4.919 -9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.629 2.481 -10.999 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.252 3.218 -11.794 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.850 5.101 -12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.160 4.082 -11.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.774 3.794 -14.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.432 2.349 -13.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.163 3.337 -14.038 1.00 0.00 H new