USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 145:sc= 1.36 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.03 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 158:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 154:sc= 1.04 USER MOD Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.214) USER MOD Single : A 1 MET N :NH3+ -157:sc= 2.13 (180deg=1.7) USER MOD Single : A 2 GLN : amide:sc= -0.0206 X(o=-0.021,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc=-0.00763 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= 1.08 (180deg=-0.415!) USER MOD Single : A 14 THR OG1 : rot -78:sc= 0.589 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -160:sc= 0.428 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 1.51 (180deg=0.875) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= -0.0485 (180deg=-0.869) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0449 K(o=-0.045,f=-0.62) USER MOD Single : A 41 GLN : amide:sc= 0.736 K(o=0.74,f=-4.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.87) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.962 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 85:sc= 1.23 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.315 -6.847 -4.953 1.00 9.67 N ATOM 2 CA MET A 1 11.354 -6.923 -3.489 1.00 10.38 C ATOM 3 C MET A 1 10.040 -7.454 -2.947 1.00 9.62 C ATOM 4 O MET A 1 8.926 -7.065 -3.326 1.00 9.62 O ATOM 5 CB MET A 1 11.680 -5.468 -2.941 1.00 13.77 C ATOM 6 CG MET A 1 11.564 -5.289 -1.370 1.00 16.29 C ATOM 7 SD MET A 1 12.215 -3.648 -0.840 1.00 17.17 S ATOM 8 CE MET A 1 10.792 -2.551 -1.081 1.00 16.11 C ATOM 0 H1 MET A 1 12.285 -6.867 -5.328 1.00 9.67 H new ATOM 0 H2 MET A 1 10.782 -7.657 -5.329 1.00 9.67 H new ATOM 0 H3 MET A 1 10.850 -5.963 -5.242 1.00 9.67 H new ATOM 0 HA MET A 1 12.126 -7.617 -3.156 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.692 -5.202 -3.246 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.006 -4.758 -3.421 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.522 -5.386 -1.066 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.118 -6.083 -0.868 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.115 -1.513 -1.002 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.363 -2.724 -2.068 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.041 -2.756 -0.318 1.00 16.11 H new ATOM 20 N GLN A 2 10.046 -8.395 -1.958 1.00 9.27 N ATOM 21 CA GLN A 2 8.761 -8.701 -1.284 1.00 9.07 C ATOM 22 C GLN A 2 8.285 -7.731 -0.174 1.00 8.72 C ATOM 23 O GLN A 2 9.143 -7.358 0.675 1.00 8.22 O ATOM 24 CB GLN A 2 8.911 -10.098 -0.594 1.00 14.46 C ATOM 25 CG GLN A 2 7.509 -10.643 -0.091 1.00 17.01 C ATOM 26 CD GLN A 2 7.665 -12.170 0.043 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.263 -12.711 1.005 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.055 -12.945 -0.879 1.00 19.49 N ATOM 0 H GLN A 2 10.861 -8.916 -1.633 1.00 9.27 H new ATOM 0 HA GLN A 2 8.019 -8.633 -2.080 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.350 -10.808 -1.295 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.597 -10.018 0.249 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.237 -10.194 0.864 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.718 -10.393 -0.798 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.567 -12.515 -1.664 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.083 -13.961 -0.790 1.00 19.49 H new ATOM 37 N ILE A 3 6.984 -7.381 -0.179 1.00 5.87 N ATOM 38 CA ILE A 3 6.312 -6.645 0.879 1.00 5.07 C ATOM 39 C ILE A 3 5.004 -7.337 1.265 1.00 4.01 C ATOM 40 O ILE A 3 4.407 -8.053 0.447 1.00 4.61 O ATOM 41 CB ILE A 3 6.178 -5.162 0.617 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.223 -4.906 -0.570 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.521 -4.411 0.486 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.736 -3.438 -0.619 1.00 10.83 C ATOM 0 H ILE A 3 6.362 -7.617 -0.952 1.00 5.87 H new ATOM 0 HA ILE A 3 6.961 -6.675 1.754 1.00 5.07 H new ATOM 0 HB ILE A 3 5.730 -4.729 1.512 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.731 -5.150 -1.503 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.363 -5.571 -0.492 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.330 -3.354 0.299 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.090 -4.519 1.409 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.092 -4.829 -0.343 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.067 -3.305 -1.469 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.204 -3.200 0.302 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.594 -2.773 -0.724 1.00 10.83 H new ATOM 56 N PHE A 4 4.545 -7.098 2.513 1.00 4.55 N ATOM 57 CA PHE A 4 3.341 -7.729 3.011 1.00 4.68 C ATOM 58 C PHE A 4 2.398 -6.532 3.242 1.00 5.30 C ATOM 59 O PHE A 4 2.823 -5.474 3.739 1.00 5.58 O ATOM 60 CB PHE A 4 3.530 -8.488 4.341 1.00 4.83 C ATOM 61 CG PHE A 4 4.492 -9.684 4.062 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.867 -9.589 4.221 1.00 8.34 C ATOM 63 CD2 PHE A 4 3.827 -10.935 3.953 1.00 6.69 C ATOM 64 CE1 PHE A 4 6.627 -10.808 4.189 1.00 10.61 C ATOM 65 CE2 PHE A 4 4.586 -12.088 3.886 1.00 9.10 C ATOM 66 CZ PHE A 4 5.917 -12.047 4.058 1.00 8.90 C ATOM 0 H PHE A 4 5.000 -6.473 3.178 1.00 4.55 H new ATOM 0 HA PHE A 4 2.982 -8.484 2.311 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.947 -7.830 5.103 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.572 -8.846 4.718 1.00 4.83 H new ATOM 0 HD1 PHE A 4 6.349 -8.633 4.364 1.00 8.34 H new ATOM 0 HD2 PHE A 4 2.749 -10.984 3.923 1.00 6.69 H new ATOM 0 HE1 PHE A 4 7.704 -10.792 4.262 1.00 10.61 H new ATOM 0 HE2 PHE A 4 4.102 -13.034 3.693 1.00 9.10 H new ATOM 0 HZ PHE A 4 6.469 -12.974 4.099 1.00 8.90 H new ATOM 76 N VAL A 5 1.092 -6.656 2.961 1.00 4.44 N ATOM 77 CA VAL A 5 0.012 -5.649 3.183 1.00 3.87 C ATOM 78 C VAL A 5 -1.002 -6.336 4.112 1.00 4.93 C ATOM 79 O VAL A 5 -1.331 -7.500 3.928 1.00 6.84 O ATOM 80 CB VAL A 5 -0.599 -5.025 1.925 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.688 -4.039 2.268 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.522 -4.314 0.987 1.00 9.13 C ATOM 0 H VAL A 5 0.726 -7.513 2.546 1.00 4.44 H new ATOM 0 HA VAL A 5 0.432 -4.754 3.642 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.039 -5.846 1.359 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.098 -3.616 1.351 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.479 -4.548 2.819 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.274 -3.239 2.883 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.042 -3.886 0.107 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.019 -3.524 1.550 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.258 -5.055 0.674 1.00 9.13 H new ATOM 92 N LYS A 6 -1.386 -5.728 5.211 1.00 6.04 N ATOM 93 CA LYS A 6 -2.228 -6.367 6.204 1.00 6.12 C ATOM 94 C LYS A 6 -3.544 -5.628 6.336 1.00 6.57 C ATOM 95 O LYS A 6 -3.535 -4.439 6.487 1.00 5.76 O ATOM 96 CB LYS A 6 -1.380 -6.322 7.519 1.00 7.45 C ATOM 97 CG LYS A 6 -1.928 -7.193 8.733 1.00 11.12 C ATOM 98 CD LYS A 6 -1.738 -8.741 8.660 1.00 14.54 C ATOM 99 CE LYS A 6 -0.368 -9.267 9.084 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.419 -10.761 9.176 1.00 20.55 N ATOM 0 H LYS A 6 -1.123 -4.771 5.445 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.499 -7.390 5.945 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.368 -6.655 7.287 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.308 -5.285 7.846 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.446 -6.839 9.644 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.994 -6.991 8.837 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.496 -9.210 9.287 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.928 -9.063 7.636 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.391 -8.961 8.364 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.084 -8.841 10.046 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.543 -11.147 9.092 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.825 -11.039 10.092 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.010 -11.136 8.407 1.00 20.55 H new ATOM 114 N THR A 7 -4.679 -6.341 6.307 1.00 7.41 N ATOM 115 CA THR A 7 -5.963 -5.656 6.322 1.00 7.48 C ATOM 116 C THR A 7 -6.563 -5.550 7.658 1.00 8.75 C ATOM 117 O THR A 7 -6.021 -6.117 8.600 1.00 8.58 O ATOM 118 CB THR A 7 -6.960 -6.309 5.343 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.430 -7.572 5.742 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.389 -6.367 3.927 1.00 9.17 C ATOM 0 H THR A 7 -4.728 -7.359 6.274 1.00 7.41 H new ATOM 0 HA THR A 7 -5.749 -4.639 5.994 1.00 7.48 H new ATOM 0 HB THR A 7 -7.833 -5.656 5.353 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.056 -7.915 5.071 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.115 -6.832 3.261 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.174 -5.356 3.580 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.470 -6.954 3.929 1.00 9.17 H new ATOM 128 N LEU A 8 -7.594 -4.679 7.793 1.00 9.84 N ATOM 129 CA LEU A 8 -8.373 -4.405 8.993 1.00 14.15 C ATOM 130 C LEU A 8 -8.778 -5.668 9.774 1.00 17.37 C ATOM 131 O LEU A 8 -8.763 -5.723 11.009 1.00 17.01 O ATOM 132 CB LEU A 8 -9.531 -3.450 8.670 1.00 16.63 C ATOM 133 CG LEU A 8 -10.423 -2.991 9.823 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.683 -2.019 10.731 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.690 -2.282 9.270 1.00 18.59 C ATOM 0 H LEU A 8 -7.913 -4.119 7.003 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.725 -3.886 9.700 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.110 -2.562 8.199 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.166 -3.934 7.928 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.706 -3.875 10.395 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.340 -1.708 11.543 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.801 -2.507 11.145 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.378 -1.145 10.156 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.318 -1.959 10.100 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.393 -1.414 8.681 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.249 -2.974 8.640 1.00 18.59 H new ATOM 147 N THR A 9 -9.245 -6.687 9.072 1.00 18.33 N ATOM 148 CA THR A 9 -9.820 -7.953 9.653 1.00 19.24 C ATOM 149 C THR A 9 -8.868 -9.099 9.622 1.00 19.48 C ATOM 150 O THR A 9 -9.166 -10.302 9.874 1.00 23.14 O ATOM 151 CB THR A 9 -11.172 -8.435 9.076 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.998 -8.414 7.643 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.271 -7.459 9.487 1.00 19.70 C ATOM 0 H THR A 9 -9.248 -6.686 8.052 1.00 18.33 H new ATOM 0 HA THR A 9 -10.013 -7.637 10.678 1.00 19.24 H new ATOM 0 HB THR A 9 -11.453 -9.425 9.435 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.824 -8.713 7.209 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.226 -7.795 9.082 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.332 -7.417 10.574 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.041 -6.467 9.098 1.00 19.70 H new ATOM 161 N GLY A 10 -7.623 -8.727 9.378 1.00 19.43 N ATOM 162 CA GLY A 10 -6.470 -9.618 9.542 1.00 18.74 C ATOM 163 C GLY A 10 -5.887 -10.428 8.410 1.00 17.62 C ATOM 164 O GLY A 10 -4.990 -11.239 8.553 1.00 19.74 O ATOM 0 H GLY A 10 -7.374 -7.791 9.057 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.658 -9.004 9.933 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.737 -10.328 10.324 1.00 18.74 H new ATOM 168 N LYS A 11 -6.438 -10.265 7.182 1.00 13.56 N ATOM 169 CA LYS A 11 -5.875 -10.874 5.970 1.00 11.91 C ATOM 170 C LYS A 11 -4.495 -10.379 5.638 1.00 10.18 C ATOM 171 O LYS A 11 -4.110 -9.250 5.910 1.00 9.10 O ATOM 172 CB LYS A 11 -6.695 -10.559 4.714 1.00 13.43 C ATOM 173 CG LYS A 11 -6.463 -11.446 3.513 1.00 16.69 C ATOM 174 CD LYS A 11 -7.536 -11.204 2.432 1.00 17.92 C ATOM 175 CE LYS A 11 -7.650 -12.325 1.413 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.582 -11.958 0.368 1.00 21.93 N ATOM 0 H LYS A 11 -7.278 -9.711 7.013 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.875 -11.937 6.211 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.752 -10.610 4.976 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.488 -9.529 4.422 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.474 -11.252 3.099 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.480 -12.492 3.820 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.502 -11.069 2.918 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.308 -10.274 1.910 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.672 -12.534 0.981 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.984 -13.239 1.903 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.315 -12.433 -0.518 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.542 -12.249 0.641 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.559 -10.928 0.229 1.00 21.93 H new ATOM 190 N THR A 12 -3.602 -11.207 4.998 1.00 9.63 N ATOM 191 CA THR A 12 -2.235 -10.793 4.652 1.00 9.85 C ATOM 192 C THR A 12 -2.054 -10.895 3.183 1.00 11.66 C ATOM 193 O THR A 12 -2.333 -11.929 2.533 1.00 12.33 O ATOM 194 CB THR A 12 -1.171 -11.660 5.372 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.390 -11.662 6.784 1.00 10.91 O ATOM 196 CG2 THR A 12 0.287 -11.215 5.066 1.00 9.63 C ATOM 0 H THR A 12 -3.825 -12.163 4.720 1.00 9.63 H new ATOM 0 HA THR A 12 -2.097 -9.763 4.981 1.00 9.85 H new ATOM 0 HB THR A 12 -1.288 -12.671 4.981 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.023 -12.484 7.171 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.984 -11.861 5.600 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.472 -11.288 3.994 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.428 -10.184 5.389 1.00 9.63 H new ATOM 204 N ILE A 13 -1.726 -9.810 2.476 1.00 10.42 N ATOM 205 CA ILE A 13 -1.497 -9.791 1.043 1.00 11.84 C ATOM 206 C ILE A 13 -0.055 -9.665 0.759 1.00 10.55 C ATOM 207 O ILE A 13 0.631 -8.786 1.276 1.00 11.92 O ATOM 208 CB ILE A 13 -2.308 -8.648 0.353 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.847 -8.762 0.673 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.160 -8.732 -1.171 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.505 -7.404 0.431 1.00 16.46 C ATOM 0 H ILE A 13 -1.611 -8.893 2.908 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.850 -10.735 0.628 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.913 -7.707 0.735 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.308 -9.522 0.042 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.995 -9.074 1.707 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.731 -7.929 -1.637 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.108 -8.633 -1.440 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.535 -9.694 -1.521 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.571 -7.472 0.650 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.048 -6.657 1.081 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.366 -7.113 -0.610 1.00 16.46 H new ATOM 223 N THR A 14 0.491 -10.613 0.026 1.00 9.39 N ATOM 224 CA THR A 14 1.897 -10.564 -0.209 1.00 9.63 C ATOM 225 C THR A 14 2.190 -10.085 -1.651 1.00 11.20 C ATOM 226 O THR A 14 1.593 -10.599 -2.570 1.00 11.63 O ATOM 227 CB THR A 14 2.550 -11.938 0.032 1.00 10.38 C ATOM 228 OG1 THR A 14 2.332 -12.370 1.364 1.00 16.30 O ATOM 229 CG2 THR A 14 4.088 -11.765 -0.069 1.00 11.66 C ATOM 0 H THR A 14 -0.006 -11.396 -0.399 1.00 9.39 H new ATOM 0 HA THR A 14 2.327 -9.852 0.496 1.00 9.63 H new ATOM 0 HB THR A 14 2.134 -12.641 -0.690 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.945 -11.898 1.965 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.574 -12.726 0.098 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.348 -11.395 -1.061 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.424 -11.052 0.684 1.00 11.66 H new ATOM 237 N LEU A 15 3.019 -9.057 -1.874 1.00 8.29 N ATOM 238 CA LEU A 15 3.255 -8.525 -3.199 1.00 9.03 C ATOM 239 C LEU A 15 4.724 -8.558 -3.505 1.00 8.59 C ATOM 240 O LEU A 15 5.590 -8.685 -2.654 1.00 7.79 O ATOM 241 CB LEU A 15 2.834 -7.019 -3.369 1.00 11.08 C ATOM 242 CG LEU A 15 1.342 -6.577 -3.106 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.939 -5.118 -3.594 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.411 -7.512 -3.814 1.00 15.27 C ATOM 0 H LEU A 15 3.538 -8.580 -1.136 1.00 8.29 H new ATOM 0 HA LEU A 15 2.654 -9.148 -3.861 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.467 -6.430 -2.706 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.082 -6.727 -4.389 1.00 11.08 H new ATOM 0 HG LEU A 15 1.261 -6.592 -2.019 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.109 -4.932 -3.358 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.562 -4.380 -3.088 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.087 -5.041 -4.671 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.619 -7.206 -3.632 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.614 -7.486 -4.885 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.560 -8.525 -3.441 1.00 15.27 H new ATOM 256 N GLU A 16 5.056 -8.421 -4.783 1.00 11.04 N ATOM 257 CA GLU A 16 6.440 -8.263 -5.268 1.00 11.50 C ATOM 258 C GLU A 16 6.539 -6.939 -5.966 1.00 10.13 C ATOM 259 O GLU A 16 5.795 -6.724 -6.940 1.00 9.83 O ATOM 260 CB GLU A 16 6.770 -9.397 -6.328 1.00 17.22 C ATOM 261 CG GLU A 16 7.991 -9.099 -7.174 1.00 23.33 C ATOM 262 CD GLU A 16 9.294 -9.197 -6.486 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.587 -10.111 -5.619 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.135 -8.308 -6.731 1.00 28.86 O ATOM 0 H GLU A 16 4.365 -8.415 -5.533 1.00 11.04 H new ATOM 0 HA GLU A 16 7.133 -8.327 -4.429 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.923 -10.340 -5.803 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.909 -9.533 -6.983 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.997 -9.784 -8.022 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.891 -8.092 -7.579 1.00 23.33 H new ATOM 271 N VAL A 17 7.468 -6.066 -5.515 1.00 8.99 N ATOM 272 CA VAL A 17 7.384 -4.655 -5.918 1.00 8.85 C ATOM 273 C VAL A 17 8.817 -4.169 -6.022 1.00 8.04 C ATOM 274 O VAL A 17 9.749 -4.834 -5.587 1.00 8.99 O ATOM 275 CB VAL A 17 6.713 -3.724 -4.896 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.303 -4.242 -4.710 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.455 -3.679 -3.566 1.00 10.54 C ATOM 0 H VAL A 17 8.247 -6.302 -4.901 1.00 8.99 H new ATOM 0 HA VAL A 17 6.791 -4.620 -6.832 1.00 8.85 H new ATOM 0 HB VAL A 17 6.722 -2.698 -5.265 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.777 -3.615 -3.990 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.778 -4.218 -5.665 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.338 -5.267 -4.341 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.937 -3.006 -2.883 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.489 -4.679 -3.134 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.471 -3.319 -3.728 1.00 10.54 H new ATOM 287 N GLU A 18 8.979 -3.003 -6.640 1.00 7.29 N ATOM 288 CA GLU A 18 10.302 -2.484 -6.836 1.00 7.08 C ATOM 289 C GLU A 18 10.496 -1.188 -6.078 1.00 6.45 C ATOM 290 O GLU A 18 9.495 -0.476 -5.905 1.00 5.28 O ATOM 291 CB GLU A 18 10.477 -2.149 -8.345 1.00 10.28 C ATOM 292 CG GLU A 18 11.701 -1.353 -8.796 1.00 12.65 C ATOM 293 CD GLU A 18 11.878 -1.607 -10.312 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.985 -1.291 -11.113 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.932 -2.119 -10.707 1.00 14.33 O ATOM 0 H GLU A 18 8.223 -2.422 -7.001 1.00 7.29 H new ATOM 0 HA GLU A 18 11.017 -3.229 -6.487 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.479 -3.092 -8.892 1.00 10.28 H new ATOM 0 HB3 GLU A 18 9.592 -1.598 -8.663 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.563 -0.290 -8.597 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.588 -1.668 -8.247 1.00 12.65 H new ATOM 302 N PRO A 19 11.698 -0.851 -5.503 1.00 7.24 N ATOM 303 CA PRO A 19 11.839 0.354 -4.821 1.00 7.07 C ATOM 304 C PRO A 19 11.443 1.650 -5.586 1.00 6.65 C ATOM 305 O PRO A 19 10.975 2.545 -4.916 1.00 6.37 O ATOM 306 CB PRO A 19 13.333 0.368 -4.366 1.00 7.61 C ATOM 307 CG PRO A 19 13.596 -1.083 -4.053 1.00 8.16 C ATOM 308 CD PRO A 19 12.757 -1.757 -5.124 1.00 7.49 C ATOM 0 HA PRO A 19 11.124 0.383 -3.999 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.992 0.739 -5.151 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.485 1.005 -3.494 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.653 -1.339 -4.133 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.278 -1.354 -3.046 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.372 -2.006 -5.989 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.341 -2.692 -4.749 1.00 7.49 H new ATOM 316 N SER A 20 11.631 1.737 -6.870 1.00 6.80 N ATOM 317 CA SER A 20 11.168 2.919 -7.592 1.00 6.28 C ATOM 318 C SER A 20 9.728 2.776 -8.016 1.00 8.45 C ATOM 319 O SER A 20 9.316 3.699 -8.744 1.00 7.26 O ATOM 320 CB SER A 20 11.964 3.159 -8.927 1.00 8.57 C ATOM 321 OG SER A 20 13.376 3.320 -8.632 1.00 11.13 O ATOM 0 H SER A 20 12.090 1.028 -7.442 1.00 6.80 H new ATOM 0 HA SER A 20 11.313 3.744 -6.894 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.818 2.318 -9.605 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.585 4.047 -9.433 1.00 8.57 H new ATOM 0 HG SER A 20 13.870 3.468 -9.466 1.00 11.13 H new ATOM 327 N ASP A 21 8.916 1.769 -7.586 1.00 7.50 N ATOM 328 CA ASP A 21 7.441 1.806 -7.634 1.00 7.70 C ATOM 329 C ASP A 21 6.904 2.962 -6.797 1.00 7.08 C ATOM 330 O ASP A 21 7.291 3.164 -5.635 1.00 8.11 O ATOM 331 CB ASP A 21 6.801 0.478 -7.320 1.00 11.00 C ATOM 332 CG ASP A 21 6.881 -0.589 -8.367 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.188 -0.345 -9.564 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.779 -1.787 -7.905 1.00 14.36 O ATOM 0 H ASP A 21 9.281 0.901 -7.193 1.00 7.50 H new ATOM 0 HA ASP A 21 7.150 2.000 -8.667 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.257 0.091 -6.409 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.748 0.655 -7.099 1.00 11.00 H new ATOM 339 N THR A 22 5.928 3.744 -7.313 1.00 5.37 N ATOM 340 CA THR A 22 4.995 4.531 -6.552 1.00 6.01 C ATOM 341 C THR A 22 4.062 3.762 -5.715 1.00 8.01 C ATOM 342 O THR A 22 3.793 2.596 -5.996 1.00 8.11 O ATOM 343 CB THR A 22 4.034 5.462 -7.314 1.00 8.92 C ATOM 344 OG1 THR A 22 3.208 4.811 -8.284 1.00 10.22 O ATOM 345 CG2 THR A 22 4.913 6.517 -8.050 1.00 9.65 C ATOM 0 H THR A 22 5.783 3.831 -8.319 1.00 5.37 H new ATOM 0 HA THR A 22 5.740 5.100 -5.996 1.00 6.01 H new ATOM 0 HB THR A 22 3.350 5.890 -6.581 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.874 5.472 -8.926 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.272 7.201 -8.606 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.496 7.078 -7.320 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.588 6.011 -8.740 1.00 9.65 H new ATOM 353 N ILE A 23 3.483 4.341 -4.635 1.00 8.32 N ATOM 354 CA ILE A 23 2.321 3.909 -3.841 1.00 9.92 C ATOM 355 C ILE A 23 1.082 3.707 -4.717 1.00 10.01 C ATOM 356 O ILE A 23 0.416 2.713 -4.473 1.00 8.71 O ATOM 357 CB ILE A 23 2.007 4.868 -2.678 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.175 5.060 -1.799 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.681 4.598 -1.958 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.640 3.756 -1.052 1.00 12.30 C ATOM 0 H ILE A 23 3.863 5.212 -4.265 1.00 8.32 H new ATOM 0 HA ILE A 23 2.595 2.949 -3.405 1.00 9.92 H new ATOM 0 HB ILE A 23 1.816 5.841 -3.130 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.005 5.440 -2.394 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.937 5.824 -1.059 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.548 5.324 -1.156 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.142 4.686 -2.667 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.693 3.592 -1.539 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.503 3.983 -0.427 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.827 3.385 -0.428 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.912 2.995 -1.783 1.00 12.30 H new ATOM 372 N GLU A 24 0.920 4.552 -5.774 1.00 9.54 N ATOM 373 CA GLU A 24 -0.138 4.379 -6.766 1.00 11.81 C ATOM 374 C GLU A 24 0.017 3.029 -7.419 1.00 11.14 C ATOM 375 O GLU A 24 -0.952 2.337 -7.684 1.00 10.62 O ATOM 376 CB GLU A 24 -0.221 5.564 -7.783 1.00 19.24 C ATOM 377 CG GLU A 24 -1.112 5.568 -9.043 1.00 27.76 C ATOM 378 CD GLU A 24 -1.106 6.772 -9.982 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.051 7.119 -10.623 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.211 7.357 -10.155 1.00 36.51 O ATOM 0 H GLU A 24 1.521 5.358 -5.946 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.104 4.403 -6.262 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.512 6.440 -7.204 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.797 5.736 -8.132 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.839 4.695 -9.635 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.140 5.420 -8.713 1.00 27.76 H new ATOM 387 N ASN A 25 1.267 2.625 -7.791 1.00 9.43 N ATOM 388 CA ASN A 25 1.536 1.279 -8.340 1.00 10.96 C ATOM 389 C ASN A 25 1.130 0.145 -7.366 1.00 9.68 C ATOM 390 O ASN A 25 0.391 -0.730 -7.779 1.00 9.33 O ATOM 391 CB ASN A 25 3.043 1.253 -8.798 1.00 16.78 C ATOM 392 CG ASN A 25 3.273 0.141 -9.831 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.568 -1.022 -9.446 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.101 0.426 -11.138 1.00 24.70 N ATOM 0 H ASN A 25 2.095 3.216 -7.718 1.00 9.43 H new ATOM 0 HA ASN A 25 0.908 1.081 -9.209 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.315 2.217 -9.227 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.689 1.094 -7.934 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.209 -0.307 -11.838 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.862 1.375 -11.426 1.00 24.70 H new ATOM 401 N VAL A 26 1.575 0.196 -6.083 1.00 6.52 N ATOM 402 CA VAL A 26 1.296 -0.817 -5.046 1.00 5.53 C ATOM 403 C VAL A 26 -0.217 -0.855 -4.896 1.00 4.42 C ATOM 404 O VAL A 26 -0.777 -1.959 -4.694 1.00 3.40 O ATOM 405 CB VAL A 26 1.997 -0.420 -3.688 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.575 -1.323 -2.520 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.530 -0.397 -3.804 1.00 8.12 C ATOM 0 H VAL A 26 2.151 0.964 -5.739 1.00 6.52 H new ATOM 0 HA VAL A 26 1.685 -1.797 -5.321 1.00 5.53 H new ATOM 0 HB VAL A 26 1.655 0.593 -3.473 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.087 -1.006 -1.611 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.497 -1.249 -2.374 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.841 -2.356 -2.744 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.963 -0.118 -2.843 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.888 -1.386 -4.091 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.827 0.330 -4.560 1.00 8.12 H new ATOM 417 N LYS A 27 -0.957 0.312 -4.834 1.00 2.64 N ATOM 418 CA LYS A 27 -2.436 0.229 -4.892 1.00 4.14 C ATOM 419 C LYS A 27 -3.121 -0.417 -6.046 1.00 5.58 C ATOM 420 O LYS A 27 -4.105 -1.180 -5.927 1.00 4.11 O ATOM 421 CB LYS A 27 -3.025 1.687 -4.768 1.00 3.97 C ATOM 422 CG LYS A 27 -2.987 2.185 -3.353 1.00 7.45 C ATOM 423 CD LYS A 27 -3.859 3.436 -3.311 1.00 9.02 C ATOM 424 CE LYS A 27 -3.797 4.328 -1.999 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.495 5.589 -2.205 1.00 15.47 N ATOM 0 H LYS A 27 -0.570 1.252 -4.750 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.642 -0.456 -4.069 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.458 2.364 -5.407 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.054 1.695 -5.129 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.362 1.427 -2.665 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.965 2.414 -3.049 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.586 4.065 -4.159 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.894 3.130 -3.461 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.246 3.789 -1.165 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.758 4.520 -1.732 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.036 6.335 -1.645 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.462 5.843 -3.213 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.486 5.490 -1.905 1.00 15.47 H new ATOM 439 N ALA A 28 -2.621 -0.180 -7.288 1.00 6.61 N ATOM 440 CA ALA A 28 -3.145 -0.764 -8.416 1.00 7.74 C ATOM 441 C ALA A 28 -2.887 -2.277 -8.479 1.00 9.17 C ATOM 442 O ALA A 28 -3.690 -3.085 -8.992 1.00 11.45 O ATOM 443 CB ALA A 28 -2.380 -0.055 -9.562 1.00 7.68 C ATOM 0 H ALA A 28 -1.832 0.440 -7.469 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.229 -0.658 -8.458 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.719 -0.445 -10.522 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.571 1.017 -9.518 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.311 -0.238 -9.454 1.00 7.68 H new ATOM 449 N LYS A 29 -1.767 -2.626 -7.853 1.00 8.96 N ATOM 450 CA LYS A 29 -1.364 -4.043 -7.681 1.00 7.90 C ATOM 451 C LYS A 29 -2.185 -4.715 -6.581 1.00 6.92 C ATOM 452 O LYS A 29 -2.452 -5.932 -6.561 1.00 6.87 O ATOM 453 CB LYS A 29 0.157 -4.184 -7.355 1.00 10.28 C ATOM 454 CG LYS A 29 0.678 -5.659 -7.567 1.00 14.94 C ATOM 455 CD LYS A 29 2.169 -5.823 -7.404 1.00 19.69 C ATOM 456 CE LYS A 29 3.024 -5.447 -8.719 1.00 22.63 C ATOM 457 NZ LYS A 29 3.144 -3.994 -8.957 1.00 24.98 N ATOM 0 H LYS A 29 -1.112 -1.955 -7.451 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.557 -4.541 -8.631 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.727 -3.505 -7.989 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.335 -3.882 -6.323 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.173 -6.315 -6.858 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.395 -5.991 -8.566 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.503 -5.198 -6.576 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.382 -6.856 -7.129 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.023 -5.874 -8.626 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.558 -5.911 -9.589 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.001 -3.803 -9.514 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.310 -3.658 -9.479 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.206 -3.497 -8.046 1.00 24.98 H new ATOM 471 N ILE A 30 -2.701 -3.961 -5.600 1.00 4.57 N ATOM 472 CA ILE A 30 -3.634 -4.611 -4.608 1.00 5.58 C ATOM 473 C ILE A 30 -4.929 -4.889 -5.286 1.00 7.26 C ATOM 474 O ILE A 30 -5.510 -5.923 -5.047 1.00 9.46 O ATOM 475 CB ILE A 30 -3.791 -3.659 -3.486 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.527 -3.647 -2.553 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.037 -4.002 -2.577 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.515 -2.521 -1.571 1.00 2.00 C ATOM 0 H ILE A 30 -2.519 -2.968 -5.457 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.251 -5.559 -4.229 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.930 -2.685 -3.955 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.478 -4.591 -2.010 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.631 -3.588 -3.171 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.109 -3.275 -1.768 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.946 -3.968 -3.178 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.917 -5.001 -2.157 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.613 -2.579 -0.962 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.532 -1.571 -2.106 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.392 -2.590 -0.927 1.00 2.00 H new ATOM 490 N GLN A 31 -5.416 -3.978 -6.163 1.00 7.06 N ATOM 491 CA GLN A 31 -6.637 -4.098 -6.927 1.00 8.67 C ATOM 492 C GLN A 31 -6.417 -5.341 -7.791 1.00 10.90 C ATOM 493 O GLN A 31 -7.378 -6.044 -8.076 1.00 9.63 O ATOM 494 CB GLN A 31 -6.871 -2.842 -7.860 1.00 9.12 C ATOM 495 CG GLN A 31 -8.167 -2.985 -8.692 1.00 10.76 C ATOM 496 CD GLN A 31 -8.268 -1.757 -9.608 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.341 -0.998 -9.957 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.555 -1.607 -10.074 1.00 14.76 N ATOM 0 H GLN A 31 -4.927 -3.103 -6.351 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.510 -4.165 -6.277 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.927 -1.940 -7.250 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.019 -2.722 -8.530 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.145 -3.902 -9.281 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.037 -3.048 -8.038 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.287 -2.247 -9.766 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.777 -0.856 -10.727 1.00 14.76 H new ATOM 507 N ASP A 32 -5.193 -5.582 -8.251 1.00 10.93 N ATOM 508 CA ASP A 32 -4.841 -6.742 -9.096 1.00 14.01 C ATOM 509 C ASP A 32 -5.069 -8.045 -8.295 1.00 14.04 C ATOM 510 O ASP A 32 -5.522 -9.055 -8.855 1.00 13.39 O ATOM 511 CB ASP A 32 -3.364 -6.659 -9.613 1.00 18.01 C ATOM 512 CG ASP A 32 -3.298 -7.315 -10.958 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.685 -8.491 -11.144 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.789 -6.690 -11.915 1.00 26.29 O ATOM 0 H ASP A 32 -4.399 -4.974 -8.050 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.485 -6.737 -9.975 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.044 -5.619 -9.682 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.689 -7.155 -8.915 1.00 18.01 H new ATOM 519 N LYS A 33 -4.801 -8.072 -6.972 1.00 14.22 N ATOM 520 CA LYS A 33 -5.099 -9.186 -6.110 1.00 14.00 C ATOM 521 C LYS A 33 -6.596 -9.211 -5.644 1.00 12.37 C ATOM 522 O LYS A 33 -7.267 -10.251 -5.634 1.00 12.17 O ATOM 523 CB LYS A 33 -4.137 -9.137 -4.939 1.00 18.62 C ATOM 524 CG LYS A 33 -2.664 -9.180 -5.343 1.00 24.00 C ATOM 525 CD LYS A 33 -2.072 -10.130 -6.382 1.00 27.61 C ATOM 526 CE LYS A 33 -0.714 -9.665 -6.996 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.329 -10.315 -8.236 1.00 30.06 N ATOM 0 H LYS A 33 -4.361 -7.292 -6.483 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.966 -10.115 -6.664 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.320 -8.226 -4.369 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.346 -9.976 -4.275 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.416 -8.174 -5.680 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.105 -9.355 -4.423 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.930 -11.107 -5.921 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.794 -10.259 -7.188 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.764 -8.590 -7.171 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.073 -9.832 -6.260 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.584 -9.936 -8.558 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.242 -11.339 -8.079 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.053 -10.136 -8.961 1.00 30.06 H new ATOM 541 N GLU A 34 -7.159 -8.036 -5.247 1.00 10.11 N ATOM 542 CA GLU A 34 -8.357 -8.101 -4.455 1.00 10.07 C ATOM 543 C GLU A 34 -9.558 -7.441 -5.146 1.00 9.32 C ATOM 544 O GLU A 34 -10.694 -7.526 -4.613 1.00 11.61 O ATOM 545 CB GLU A 34 -8.173 -7.534 -2.978 1.00 14.77 C ATOM 546 CG GLU A 34 -7.066 -8.192 -2.081 1.00 18.75 C ATOM 547 CD GLU A 34 -7.455 -9.569 -1.452 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.499 -9.605 -0.708 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.961 -10.667 -1.874 1.00 25.19 O ATOM 0 H GLU A 34 -6.809 -7.102 -5.460 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.570 -9.166 -4.360 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.956 -6.468 -3.052 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.127 -7.630 -2.460 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.166 -8.325 -2.681 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.814 -7.501 -1.277 1.00 18.75 H new ATOM 556 N GLY A 35 -9.437 -6.913 -6.391 1.00 7.22 N ATOM 557 CA GLY A 35 -10.510 -6.254 -7.128 1.00 6.29 C ATOM 558 C GLY A 35 -10.874 -4.922 -6.624 1.00 6.93 C ATOM 559 O GLY A 35 -11.924 -4.389 -6.968 1.00 7.41 O ATOM 0 H GLY A 35 -8.560 -6.942 -6.911 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.212 -6.163 -8.173 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.394 -6.891 -7.103 1.00 6.29 H new ATOM 563 N ILE A 36 -10.119 -4.288 -5.670 1.00 5.86 N ATOM 564 CA ILE A 36 -10.536 -3.007 -4.941 1.00 6.07 C ATOM 565 C ILE A 36 -10.019 -1.763 -5.586 1.00 6.36 C ATOM 566 O ILE A 36 -8.816 -1.660 -5.703 1.00 6.18 O ATOM 567 CB ILE A 36 -10.164 -3.041 -3.431 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.834 -4.197 -2.702 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.600 -1.730 -2.761 1.00 7.36 C ATOM 570 CD1 ILE A 36 -10.104 -4.560 -1.408 1.00 9.49 C ATOM 0 H ILE A 36 -9.207 -4.636 -5.375 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.623 -2.975 -5.021 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.084 -3.171 -3.369 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.866 -3.932 -2.473 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.866 -5.068 -3.356 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.338 -1.757 -1.703 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.094 -0.891 -3.239 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.678 -1.610 -2.865 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.617 -5.390 -0.921 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -9.079 -4.852 -1.638 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.095 -3.698 -0.741 1.00 9.49 H new ATOM 582 N PRO A 37 -10.755 -0.770 -6.101 1.00 8.65 N ATOM 583 CA PRO A 37 -10.289 0.488 -6.707 1.00 9.18 C ATOM 584 C PRO A 37 -9.228 1.198 -5.803 1.00 9.85 C ATOM 585 O PRO A 37 -9.546 1.281 -4.640 1.00 8.51 O ATOM 586 CB PRO A 37 -11.497 1.420 -6.833 1.00 11.42 C ATOM 587 CG PRO A 37 -12.614 0.363 -7.044 1.00 9.27 C ATOM 588 CD PRO A 37 -12.224 -0.803 -6.150 1.00 8.33 C ATOM 0 HA PRO A 37 -9.834 0.267 -7.673 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.655 2.024 -5.940 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.409 2.110 -7.673 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.591 0.761 -6.770 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.676 0.057 -8.088 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.655 -0.698 -5.154 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.584 -1.749 -6.555 1.00 8.33 H new ATOM 596 N PRO A 38 -8.128 1.754 -6.324 1.00 8.71 N ATOM 597 CA PRO A 38 -7.148 2.517 -5.514 1.00 9.08 C ATOM 598 C PRO A 38 -7.693 3.729 -4.691 1.00 9.28 C ATOM 599 O PRO A 38 -7.013 4.106 -3.717 1.00 6.50 O ATOM 600 CB PRO A 38 -6.155 2.954 -6.581 1.00 10.31 C ATOM 601 CG PRO A 38 -6.057 1.738 -7.526 1.00 10.81 C ATOM 602 CD PRO A 38 -7.568 1.296 -7.531 1.00 12.00 C ATOM 0 HA PRO A 38 -6.748 1.903 -4.707 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.503 3.842 -7.109 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.186 3.200 -6.147 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.695 2.006 -8.519 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.394 0.962 -7.144 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.093 1.721 -8.387 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.654 0.212 -7.611 1.00 12.00 H new ATOM 610 N ASP A 39 -8.833 4.323 -5.062 1.00 11.20 N ATOM 611 CA ASP A 39 -9.609 5.450 -4.443 1.00 14.96 C ATOM 612 C ASP A 39 -10.488 4.964 -3.333 1.00 13.99 C ATOM 613 O ASP A 39 -11.030 5.738 -2.551 1.00 13.75 O ATOM 614 CB ASP A 39 -10.480 6.116 -5.497 1.00 24.16 C ATOM 615 CG ASP A 39 -9.606 7.105 -6.273 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.956 6.676 -7.274 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.581 8.337 -5.985 1.00 35.55 O ATOM 0 H ASP A 39 -9.307 3.999 -5.905 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.890 6.162 -4.037 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.902 5.370 -6.170 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.318 6.633 -5.029 1.00 24.16 H new ATOM 622 N GLN A 40 -10.503 3.645 -3.067 1.00 11.60 N ATOM 623 CA GLN A 40 -11.103 3.073 -1.889 1.00 10.76 C ATOM 624 C GLN A 40 -9.955 2.643 -0.916 1.00 8.01 C ATOM 625 O GLN A 40 -10.130 2.387 0.248 1.00 8.96 O ATOM 626 CB GLN A 40 -11.954 1.911 -2.293 1.00 11.14 C ATOM 627 CG GLN A 40 -12.853 1.436 -1.148 1.00 14.85 C ATOM 628 CD GLN A 40 -13.766 0.277 -1.524 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.406 -0.846 -1.226 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.891 0.545 -2.260 1.00 18.16 N ATOM 0 H GLN A 40 -10.086 2.951 -3.687 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.742 3.792 -1.377 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.571 2.192 -3.146 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.316 1.089 -2.618 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.227 1.135 -0.308 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.464 2.272 -0.807 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.140 1.510 -2.478 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.479 -0.220 -2.590 1.00 18.16 H new ATOM 639 N GLN A 41 -8.686 2.657 -1.348 1.00 6.52 N ATOM 640 CA GLN A 41 -7.584 2.175 -0.609 1.00 3.87 C ATOM 641 C GLN A 41 -6.783 3.294 0.008 1.00 4.79 C ATOM 642 O GLN A 41 -6.566 4.356 -0.596 1.00 6.34 O ATOM 643 CB GLN A 41 -6.517 1.363 -1.458 1.00 4.20 C ATOM 644 CG GLN A 41 -7.117 0.124 -2.177 1.00 3.20 C ATOM 645 CD GLN A 41 -6.021 -0.582 -2.898 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.897 -0.539 -2.341 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.330 -1.154 -4.090 1.00 7.13 N ATOM 0 H GLN A 41 -8.423 3.026 -2.262 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.063 1.528 0.126 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.074 2.026 -2.201 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.711 1.038 -0.800 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.586 -0.543 -1.454 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.894 0.432 -2.877 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.288 -1.122 -4.438 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.604 -1.616 -4.638 1.00 7.13 H new ATOM 656 N ARG A 42 -6.236 3.044 1.253 1.00 5.73 N ATOM 657 CA ARG A 42 -5.278 3.950 1.865 1.00 6.97 C ATOM 658 C ARG A 42 -4.299 3.007 2.494 1.00 7.15 C ATOM 659 O ARG A 42 -4.720 2.000 3.127 1.00 7.33 O ATOM 660 CB ARG A 42 -5.904 4.952 2.815 1.00 13.23 C ATOM 661 CG ARG A 42 -4.877 5.706 3.728 1.00 21.27 C ATOM 662 CD ARG A 42 -5.460 6.772 4.682 1.00 26.14 C ATOM 663 NE ARG A 42 -6.056 7.843 3.801 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.344 8.157 3.814 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.228 7.690 4.696 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.786 8.999 2.810 1.00 36.39 N ATOM 0 H ARG A 42 -6.460 2.225 1.818 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.802 4.624 1.153 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.462 5.686 2.234 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.623 4.433 3.449 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.345 4.967 4.326 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.139 6.188 3.087 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.218 6.338 5.334 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.683 7.185 5.326 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.439 8.349 3.166 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.928 7.044 5.426 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.205 7.979 4.641 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.131 9.345 2.109 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.767 9.274 2.770 1.00 36.39 H new ATOM 680 N LEU A 43 -3.022 3.329 2.459 1.00 4.65 N ATOM 681 CA LEU A 43 -1.949 2.602 3.069 1.00 3.51 C ATOM 682 C LEU A 43 -1.135 3.416 4.012 1.00 5.56 C ATOM 683 O LEU A 43 -0.792 4.566 3.868 1.00 4.19 O ATOM 684 CB LEU A 43 -1.006 2.118 1.913 1.00 3.74 C ATOM 685 CG LEU A 43 -1.596 1.164 0.948 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.644 1.118 -0.287 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.762 -0.285 1.460 1.00 6.41 C ATOM 0 H LEU A 43 -2.694 4.162 1.969 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.385 1.787 3.647 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.661 2.993 1.363 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.126 1.655 2.359 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.602 1.524 0.734 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.042 0.424 -1.027 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.569 2.113 -0.726 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.345 0.785 0.028 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.202 -0.900 0.675 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.787 -0.688 1.733 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.414 -0.290 2.334 1.00 6.41 H new ATOM 699 N ILE A 44 -0.865 2.762 5.193 1.00 4.58 N ATOM 700 CA ILE A 44 -0.110 3.147 6.333 1.00 5.55 C ATOM 701 C ILE A 44 1.159 2.287 6.419 1.00 5.46 C ATOM 702 O ILE A 44 1.227 1.083 6.185 1.00 6.04 O ATOM 703 CB ILE A 44 -0.946 2.993 7.624 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.248 3.916 7.449 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.181 3.413 8.895 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.286 3.839 8.608 1.00 13.90 C ATOM 0 H ILE A 44 -1.249 1.828 5.336 1.00 4.58 H new ATOM 0 HA ILE A 44 0.167 4.196 6.233 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.197 1.941 7.757 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.926 4.952 7.342 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.746 3.639 6.520 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.823 3.281 9.766 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.710 2.795 9.004 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.111 4.460 8.815 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.125 4.500 8.390 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.647 2.815 8.706 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.814 4.148 9.540 1.00 13.90 H new ATOM 718 N PHE A 45 2.297 2.948 6.771 1.00 6.75 N ATOM 719 CA PHE A 45 3.515 2.267 7.134 1.00 4.70 C ATOM 720 C PHE A 45 4.077 2.817 8.420 1.00 6.34 C ATOM 721 O PHE A 45 4.241 4.059 8.539 1.00 5.45 O ATOM 722 CB PHE A 45 4.577 2.273 6.034 1.00 5.51 C ATOM 723 CG PHE A 45 5.862 1.593 6.420 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.865 0.225 6.563 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.010 2.377 6.454 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.097 -0.404 6.818 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.193 1.722 6.721 1.00 6.64 C ATOM 728 CZ PHE A 45 8.279 0.353 6.933 1.00 6.84 C ATOM 0 H PHE A 45 2.368 3.965 6.803 1.00 6.75 H new ATOM 0 HA PHE A 45 3.239 1.223 7.281 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.171 1.784 5.149 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.793 3.305 5.757 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.952 -0.347 6.482 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.976 3.442 6.280 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.137 -1.478 6.927 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.101 2.305 6.768 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.221 -0.116 7.178 1.00 6.84 H new ATOM 738 N ALA A 46 4.345 2.004 9.462 1.00 6.53 N ATOM 739 CA ALA A 46 5.059 2.454 10.678 1.00 7.15 C ATOM 740 C ALA A 46 4.320 3.662 11.378 1.00 9.00 C ATOM 741 O ALA A 46 4.954 4.616 11.859 1.00 11.15 O ATOM 742 CB ALA A 46 6.521 2.864 10.404 1.00 8.99 C ATOM 0 H ALA A 46 4.075 1.021 9.486 1.00 6.53 H new ATOM 0 HA ALA A 46 5.062 1.588 11.340 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.990 3.184 11.335 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.067 2.013 9.996 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.540 3.685 9.687 1.00 8.99 H new ATOM 748 N GLY A 47 2.963 3.638 11.377 1.00 9.35 N ATOM 749 CA GLY A 47 2.242 4.740 11.962 1.00 11.68 C ATOM 750 C GLY A 47 2.101 6.061 11.159 1.00 11.14 C ATOM 751 O GLY A 47 1.642 7.067 11.697 1.00 13.93 O ATOM 0 H GLY A 47 2.387 2.890 10.989 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.237 4.388 12.195 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.723 4.981 12.910 1.00 11.68 H new ATOM 755 N LYS A 48 2.518 6.097 9.882 1.00 10.47 N ATOM 756 CA LYS A 48 2.388 7.210 8.992 1.00 8.82 C ATOM 757 C LYS A 48 1.624 6.803 7.654 1.00 7.68 C ATOM 758 O LYS A 48 1.842 5.697 7.164 1.00 6.47 O ATOM 759 CB LYS A 48 3.850 7.574 8.481 1.00 9.74 C ATOM 760 CG LYS A 48 4.824 7.742 9.647 1.00 14.14 C ATOM 761 CD LYS A 48 6.254 7.990 9.120 1.00 16.32 C ATOM 762 CE LYS A 48 6.876 6.741 8.553 1.00 20.04 C ATOM 763 NZ LYS A 48 8.327 7.013 8.485 1.00 23.92 N ATOM 0 H LYS A 48 2.975 5.298 9.443 1.00 10.47 H new ATOM 0 HA LYS A 48 1.864 8.004 9.524 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.210 6.790 7.815 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.815 8.495 7.899 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.511 8.577 10.274 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.810 6.850 10.273 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.227 8.762 8.351 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.877 8.369 9.930 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.669 5.878 9.186 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.473 6.516 7.566 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.818 6.182 8.098 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.498 7.834 7.869 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.687 7.215 9.439 1.00 23.92 H new ATOM 777 N GLN A 49 0.707 7.662 7.165 1.00 8.89 N ATOM 778 CA GLN A 49 0.066 7.533 5.912 1.00 7.18 C ATOM 779 C GLN A 49 1.056 7.746 4.701 1.00 8.23 C ATOM 780 O GLN A 49 1.978 8.545 4.743 1.00 9.70 O ATOM 781 CB GLN A 49 -1.197 8.414 5.849 1.00 11.67 C ATOM 782 CG GLN A 49 -2.369 7.726 6.679 1.00 15.82 C ATOM 783 CD GLN A 49 -3.383 8.760 7.074 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.918 9.355 6.117 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.669 9.054 8.372 1.00 20.67 N ATOM 0 H GLN A 49 0.405 8.488 7.682 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.272 6.502 5.810 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.983 9.403 6.254 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.505 8.553 4.813 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.843 6.948 6.081 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.963 7.242 7.568 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.208 8.542 9.124 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.344 9.786 8.592 1.00 20.67 H new ATOM 794 N LEU A 50 0.806 7.008 3.603 1.00 6.51 N ATOM 795 CA LEU A 50 1.595 6.978 2.409 1.00 7.41 C ATOM 796 C LEU A 50 0.833 7.532 1.267 1.00 8.27 C ATOM 797 O LEU A 50 -0.221 7.049 0.795 1.00 8.34 O ATOM 798 CB LEU A 50 2.008 5.522 2.044 1.00 7.13 C ATOM 799 CG LEU A 50 2.796 4.804 3.139 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.214 3.421 2.691 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.100 5.524 3.601 1.00 9.11 C ATOM 0 H LEU A 50 -0.004 6.390 3.547 1.00 6.51 H new ATOM 0 HA LEU A 50 2.485 7.578 2.600 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.110 4.946 1.821 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.608 5.543 1.134 1.00 7.13 H new ATOM 0 HG LEU A 50 2.098 4.784 3.976 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.773 2.933 3.490 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.328 2.831 2.456 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.843 3.500 1.804 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.585 4.935 4.379 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.776 5.632 2.753 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.852 6.510 3.994 1.00 9.11 H new ATOM 813 N GLU A 51 1.342 8.593 0.668 1.00 9.43 N ATOM 814 CA GLU A 51 0.758 9.253 -0.495 1.00 11.90 C ATOM 815 C GLU A 51 0.910 8.561 -1.844 1.00 11.49 C ATOM 816 O GLU A 51 1.951 8.071 -2.191 1.00 9.88 O ATOM 817 CB GLU A 51 1.422 10.649 -0.542 1.00 16.56 C ATOM 818 CG GLU A 51 0.800 11.622 -1.612 1.00 26.06 C ATOM 819 CD GLU A 51 1.230 13.074 -1.401 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.905 13.685 -0.365 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.950 13.700 -2.274 1.00 32.13 O ATOM 0 H GLU A 51 2.203 9.038 0.986 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.323 9.257 -0.357 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.343 11.110 0.442 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.485 10.527 -0.752 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.098 11.299 -2.609 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.287 11.558 -1.568 1.00 26.06 H new ATOM 828 N ASP A 52 -0.179 8.612 -2.668 1.00 12.71 N ATOM 829 CA ASP A 52 -0.237 7.865 -3.932 1.00 16.56 C ATOM 830 C ASP A 52 0.986 8.112 -4.859 1.00 15.83 C ATOM 831 O ASP A 52 1.525 7.209 -5.465 1.00 17.21 O ATOM 832 CB ASP A 52 -1.499 8.204 -4.650 1.00 21.05 C ATOM 833 CG ASP A 52 -2.816 7.940 -3.873 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.101 8.681 -2.919 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.518 6.935 -4.254 1.00 28.37 O ATOM 0 H ASP A 52 -1.015 9.162 -2.469 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.213 6.806 -3.674 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.466 9.259 -4.922 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.529 7.636 -5.580 1.00 21.05 H new ATOM 840 N GLY A 53 1.416 9.373 -4.945 1.00 15.00 N ATOM 841 CA GLY A 53 2.484 9.832 -5.816 1.00 11.77 C ATOM 842 C GLY A 53 3.852 9.958 -5.174 1.00 11.10 C ATOM 843 O GLY A 53 4.552 10.945 -5.447 1.00 11.25 O ATOM 0 H GLY A 53 1.011 10.125 -4.387 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.561 9.144 -6.658 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.203 10.804 -6.222 1.00 11.77 H new ATOM 847 N ARG A 54 4.232 8.958 -4.344 1.00 8.53 N ATOM 848 CA ARG A 54 5.552 8.954 -3.786 1.00 9.05 C ATOM 849 C ARG A 54 6.037 7.564 -3.921 1.00 8.96 C ATOM 850 O ARG A 54 5.209 6.675 -3.990 1.00 11.60 O ATOM 851 CB ARG A 54 5.549 9.262 -2.253 1.00 7.97 C ATOM 852 CG ARG A 54 4.806 10.591 -1.791 1.00 9.62 C ATOM 853 CD ARG A 54 5.577 11.877 -2.002 1.00 12.20 C ATOM 854 NE ARG A 54 4.642 12.885 -1.479 1.00 18.23 N ATOM 855 CZ ARG A 54 4.871 13.790 -0.473 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.036 13.896 0.178 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.845 14.551 -0.128 1.00 23.38 N ATOM 0 H ARG A 54 3.641 8.174 -4.067 1.00 8.53 H new ATOM 0 HA ARG A 54 6.156 9.706 -4.294 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.089 8.419 -1.738 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.584 9.316 -1.915 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.860 10.663 -2.328 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.565 10.502 -0.732 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.523 11.879 -1.461 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.811 12.044 -3.053 1.00 12.20 H new ATOM 0 HE ARG A 54 3.719 12.915 -1.913 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.814 13.283 -0.066 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.145 14.589 0.918 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.949 14.445 -0.603 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.950 15.244 0.613 1.00 23.38 H new ATOM 871 N THR A 55 7.376 7.335 -4.036 1.00 9.05 N ATOM 872 CA THR A 55 7.914 5.921 -4.209 1.00 9.03 C ATOM 873 C THR A 55 8.218 5.287 -2.931 1.00 8.15 C ATOM 874 O THR A 55 8.515 5.930 -1.923 1.00 5.91 O ATOM 875 CB THR A 55 9.126 5.895 -5.141 1.00 11.15 C ATOM 876 OG1 THR A 55 10.192 6.744 -4.723 1.00 11.95 O ATOM 877 CG2 THR A 55 8.663 6.337 -6.566 1.00 11.71 C ATOM 0 H THR A 55 8.089 8.064 -4.016 1.00 9.05 H new ATOM 0 HA THR A 55 7.120 5.337 -4.675 1.00 9.03 H new ATOM 0 HB THR A 55 9.514 4.876 -5.130 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.050 6.324 -4.942 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.515 6.325 -7.246 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.899 5.650 -6.930 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.251 7.345 -6.518 1.00 11.71 H new ATOM 885 N LEU A 56 8.171 3.967 -2.904 1.00 6.91 N ATOM 886 CA LEU A 56 8.824 3.090 -1.901 1.00 8.29 C ATOM 887 C LEU A 56 10.291 3.468 -1.533 1.00 8.05 C ATOM 888 O LEU A 56 10.704 3.359 -0.390 1.00 10.17 O ATOM 889 CB LEU A 56 8.817 1.634 -2.329 1.00 6.60 C ATOM 890 CG LEU A 56 7.336 1.101 -2.500 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.227 -0.229 -3.191 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.569 1.141 -1.197 1.00 8.64 C ATOM 0 H LEU A 56 7.657 3.435 -3.606 1.00 6.91 H new ATOM 0 HA LEU A 56 8.213 3.245 -1.012 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.358 1.525 -3.269 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.341 1.031 -1.588 1.00 6.60 H new ATOM 0 HG LEU A 56 6.858 1.802 -3.184 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.178 -0.516 -3.264 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.654 -0.155 -4.191 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.770 -0.982 -2.619 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.558 0.767 -1.358 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.073 0.517 -0.459 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.522 2.168 -0.834 1.00 8.64 H new ATOM 904 N SER A 57 11.116 3.910 -2.519 1.00 8.92 N ATOM 905 CA SER A 57 12.449 4.528 -2.354 1.00 9.00 C ATOM 906 C SER A 57 12.399 5.784 -1.441 1.00 9.44 C ATOM 907 O SER A 57 13.097 5.914 -0.400 1.00 10.91 O ATOM 908 CB SER A 57 13.313 4.751 -3.679 1.00 10.32 C ATOM 909 OG SER A 57 12.608 5.562 -4.638 1.00 13.59 O ATOM 0 H SER A 57 10.850 3.839 -3.501 1.00 8.92 H new ATOM 0 HA SER A 57 13.021 3.756 -1.839 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.259 5.229 -3.422 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.554 3.786 -4.124 1.00 10.32 H new ATOM 0 HG SER A 57 13.163 5.681 -5.437 1.00 13.59 H new ATOM 915 N ASP A 58 11.532 6.788 -1.796 1.00 9.11 N ATOM 916 CA ASP A 58 11.242 8.019 -1.020 1.00 7.91 C ATOM 917 C ASP A 58 10.664 7.757 0.378 1.00 9.12 C ATOM 918 O ASP A 58 11.148 8.353 1.363 1.00 8.61 O ATOM 919 CB ASP A 58 10.241 8.785 -1.865 1.00 8.41 C ATOM 920 CG ASP A 58 10.293 10.230 -1.517 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.320 10.920 -1.632 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.248 10.734 -1.096 1.00 10.05 O ATOM 0 H ASP A 58 11.001 6.749 -2.666 1.00 9.11 H new ATOM 0 HA ASP A 58 12.167 8.564 -0.834 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.463 8.648 -2.923 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.236 8.397 -1.697 1.00 8.41 H new ATOM 927 N TYR A 59 9.828 6.687 0.513 1.00 7.97 N ATOM 928 CA TYR A 59 9.308 6.309 1.832 1.00 8.45 C ATOM 929 C TYR A 59 10.214 5.295 2.627 1.00 10.98 C ATOM 930 O TYR A 59 9.860 4.817 3.681 1.00 12.95 O ATOM 931 CB TYR A 59 7.897 5.704 1.730 1.00 7.94 C ATOM 932 CG TYR A 59 6.824 6.779 1.696 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.747 7.778 2.725 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.782 6.766 0.754 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.791 8.799 2.694 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.826 7.804 0.722 1.00 6.52 C ATOM 937 CZ TYR A 59 4.803 8.792 1.692 1.00 6.76 C ATOM 938 OH TYR A 59 3.730 9.682 1.721 1.00 7.63 O ATOM 0 H TYR A 59 9.516 6.096 -0.258 1.00 7.97 H new ATOM 0 HA TYR A 59 9.293 7.247 2.386 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.828 5.093 0.830 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.723 5.043 2.579 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.447 7.740 3.546 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.712 5.953 0.047 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.811 9.586 3.433 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.098 7.828 -0.075 1.00 6.52 H new ATOM 0 HH TYR A 59 4.020 10.555 1.382 1.00 7.63 H new ATOM 948 N ASN A 60 11.432 4.944 2.125 1.00 12.38 N ATOM 949 CA ASN A 60 12.371 4.128 2.894 1.00 13.94 C ATOM 950 C ASN A 60 11.893 2.793 3.315 1.00 14.16 C ATOM 951 O ASN A 60 12.037 2.327 4.439 1.00 14.26 O ATOM 952 CB ASN A 60 13.048 4.825 4.120 1.00 19.23 C ATOM 953 CG ASN A 60 13.460 6.196 3.682 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.886 7.247 4.080 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.432 6.341 2.756 1.00 24.09 N ATOM 0 H ASN A 60 11.768 5.217 1.202 1.00 12.38 H new ATOM 0 HA ASN A 60 13.128 3.984 2.123 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.356 4.882 4.960 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.913 4.254 4.458 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.672 7.270 2.410 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.926 5.522 2.402 1.00 24.09 H new ATOM 962 N ILE A 61 11.188 2.087 2.378 1.00 11.08 N ATOM 963 CA ILE A 61 10.490 0.862 2.726 1.00 11.78 C ATOM 964 C ILE A 61 11.340 -0.318 2.249 1.00 13.74 C ATOM 965 O ILE A 61 11.880 -0.418 1.186 1.00 14.60 O ATOM 966 CB ILE A 61 9.096 0.837 2.063 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.301 1.953 2.723 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.437 -0.570 1.996 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.901 2.243 2.260 1.00 11.42 C ATOM 0 H ILE A 61 11.104 2.360 1.399 1.00 11.08 H new ATOM 0 HA ILE A 61 10.344 0.800 3.804 1.00 11.78 H new ATOM 0 HB ILE A 61 9.153 1.039 0.993 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.252 1.732 3.789 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.877 2.872 2.614 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.462 -0.492 1.515 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.073 -1.243 1.420 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.314 -0.963 3.005 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.489 3.068 2.841 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.916 2.515 1.205 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.281 1.357 2.398 1.00 11.42 H new ATOM 981 N GLN A 62 11.553 -1.272 3.114 1.00 13.97 N ATOM 982 CA GLN A 62 12.461 -2.328 2.917 1.00 15.52 C ATOM 983 C GLN A 62 11.854 -3.728 2.758 1.00 13.94 C ATOM 984 O GLN A 62 10.630 -3.826 2.878 1.00 12.15 O ATOM 985 CB GLN A 62 13.399 -2.395 4.158 1.00 19.53 C ATOM 986 CG GLN A 62 14.095 -1.104 4.534 1.00 26.38 C ATOM 987 CD GLN A 62 14.997 -0.540 3.472 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.693 0.498 2.901 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.160 -1.100 3.200 1.00 32.71 N ATOM 0 H GLN A 62 11.068 -1.321 4.010 1.00 13.97 H new ATOM 0 HA GLN A 62 12.957 -2.096 1.975 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.813 -2.731 5.014 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.159 -3.154 3.974 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.339 -0.359 4.781 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.682 -1.274 5.436 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.431 -1.966 3.666 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.789 -0.667 2.523 1.00 32.71 H new ATOM 998 N LYS A 63 12.601 -4.767 2.556 1.00 11.73 N ATOM 999 CA LYS A 63 12.185 -6.078 2.310 1.00 11.97 C ATOM 1000 C LYS A 63 11.440 -6.624 3.536 1.00 10.41 C ATOM 1001 O LYS A 63 11.865 -6.407 4.704 1.00 9.59 O ATOM 1002 CB LYS A 63 13.302 -7.072 1.882 1.00 13.73 C ATOM 1003 CG LYS A 63 14.446 -7.365 2.921 1.00 16.98 C ATOM 1004 CD LYS A 63 15.618 -8.220 2.505 1.00 20.19 C ATOM 1005 CE LYS A 63 15.254 -9.589 1.826 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.500 -10.410 1.547 1.00 25.97 N ATOM 0 H LYS A 63 13.618 -4.691 2.564 1.00 11.73 H new ATOM 0 HA LYS A 63 11.528 -6.008 1.443 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.829 -8.020 1.625 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.763 -6.689 0.972 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.842 -6.405 3.252 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.987 -7.838 3.789 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.236 -7.646 1.815 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.227 -8.423 3.386 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.581 -10.152 2.473 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.720 -9.405 0.894 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.230 -11.309 1.099 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.129 -9.881 0.910 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.995 -10.604 2.441 1.00 25.97 H new ATOM 1020 N GLU A 64 10.215 -7.234 3.312 1.00 10.04 N ATOM 1021 CA GLU A 64 9.413 -7.975 4.312 1.00 10.94 C ATOM 1022 C GLU A 64 8.720 -7.032 5.353 1.00 9.74 C ATOM 1023 O GLU A 64 8.153 -7.495 6.332 1.00 9.42 O ATOM 1024 CB GLU A 64 10.170 -9.095 5.151 1.00 18.31 C ATOM 1025 CG GLU A 64 11.123 -10.011 4.195 1.00 24.16 C ATOM 1026 CD GLU A 64 11.910 -11.113 4.843 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.322 -11.954 5.519 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.159 -11.203 4.648 1.00 31.72 O ATOM 0 H GLU A 64 9.765 -7.210 2.397 1.00 10.04 H new ATOM 0 HA GLU A 64 8.692 -8.475 3.665 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.774 -8.625 5.927 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.441 -9.729 5.656 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.495 -10.457 3.424 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.826 -9.349 3.690 1.00 24.16 H new ATOM 1035 N SER A 65 8.777 -5.680 5.082 1.00 6.85 N ATOM 1036 CA SER A 65 7.956 -4.616 5.665 1.00 6.90 C ATOM 1037 C SER A 65 6.521 -4.888 5.616 1.00 4.72 C ATOM 1038 O SER A 65 6.045 -5.443 4.631 1.00 3.91 O ATOM 1039 CB SER A 65 8.182 -3.265 4.921 1.00 7.28 C ATOM 1040 OG SER A 65 9.448 -2.686 5.029 1.00 10.56 O ATOM 0 H SER A 65 9.446 -5.310 4.407 1.00 6.85 H new ATOM 0 HA SER A 65 8.273 -4.564 6.707 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.970 -3.421 3.863 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.449 -2.548 5.291 1.00 7.28 H new ATOM 0 HG SER A 65 10.041 -3.068 4.349 1.00 10.56 H new ATOM 1046 N THR A 66 5.746 -4.488 6.633 1.00 4.48 N ATOM 1047 CA THR A 66 4.325 -4.685 6.721 1.00 3.80 C ATOM 1048 C THR A 66 3.733 -3.319 6.516 1.00 4.60 C ATOM 1049 O THR A 66 3.891 -2.448 7.381 1.00 5.33 O ATOM 1050 CB THR A 66 3.832 -5.290 7.993 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.582 -6.458 8.333 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.386 -5.817 7.911 1.00 3.40 C ATOM 0 H THR A 66 6.126 -3.999 7.443 1.00 4.48 H new ATOM 0 HA THR A 66 4.023 -5.417 5.972 1.00 3.80 H new ATOM 0 HB THR A 66 3.922 -4.477 8.713 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.240 -6.834 9.171 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.098 -6.242 8.873 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.713 -4.997 7.661 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.322 -6.586 7.141 1.00 3.40 H new ATOM 1060 N LEU A 67 3.037 -3.165 5.383 1.00 4.17 N ATOM 1061 CA LEU A 67 2.108 -2.107 5.097 1.00 3.85 C ATOM 1062 C LEU A 67 0.789 -2.462 5.786 1.00 3.80 C ATOM 1063 O LEU A 67 0.398 -3.599 5.865 1.00 5.54 O ATOM 1064 CB LEU A 67 1.953 -1.889 3.546 1.00 7.18 C ATOM 1065 CG LEU A 67 2.875 -0.729 2.973 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.369 -0.940 3.281 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.756 -0.593 1.528 1.00 11.66 C ATOM 0 H LEU A 67 3.125 -3.822 4.608 1.00 4.17 H new ATOM 0 HA LEU A 67 2.469 -1.154 5.483 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.191 -2.820 3.031 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.911 -1.658 3.322 1.00 7.18 H new ATOM 0 HG LEU A 67 2.517 0.170 3.475 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.947 -0.115 2.864 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.516 -0.977 4.360 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.703 -1.878 2.837 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.405 0.212 1.184 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.051 -1.527 1.049 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.723 -0.363 1.268 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.006 -1.507 6.251 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.287 -1.650 6.832 1.00 4.17 C ATOM 1081 C HIS A 68 -2.245 -0.967 5.929 1.00 5.32 C ATOM 1082 O HIS A 68 -2.075 0.222 5.621 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.447 -1.137 8.259 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.957 -2.142 9.292 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.333 -2.459 9.603 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.737 -2.908 10.053 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.280 -3.414 10.582 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.015 -3.739 10.857 1.00 16.30 N ATOM 0 H HIS A 68 0.280 -0.529 6.216 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.472 -2.720 6.932 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.894 -0.204 8.372 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.497 -0.910 8.446 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.816 -2.875 10.035 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.141 -3.848 11.067 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.362 -4.440 11.511 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.273 -1.685 5.522 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.260 -1.260 4.606 1.00 3.97 C ATOM 1098 C LEU A 69 -5.513 -0.920 5.406 1.00 5.07 C ATOM 1099 O LEU A 69 -5.955 -1.643 6.273 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.649 -2.331 3.602 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.830 -1.872 2.647 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.318 -1.004 1.505 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.468 -3.211 2.109 1.00 9.96 C ATOM 0 H LEU A 69 -3.432 -2.636 5.855 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.851 -0.414 4.053 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.779 -2.591 2.999 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.948 -3.233 4.136 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.560 -1.259 3.175 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.153 -0.708 0.871 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.837 -0.114 1.912 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.596 -1.568 0.914 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.295 -2.976 1.439 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.713 -3.782 1.568 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.837 -3.801 2.948 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.041 0.288 5.203 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.333 0.770 5.719 1.00 6.26 C ATOM 1117 C VAL A 70 -8.044 1.275 4.488 1.00 9.22 C ATOM 1118 O VAL A 70 -7.478 1.956 3.610 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.098 1.872 6.782 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.657 1.295 8.127 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.204 3.060 6.319 1.00 8.54 C ATOM 0 H VAL A 70 -5.559 0.995 4.648 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.924 0.008 6.228 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.080 2.322 6.925 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.505 2.106 8.839 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.427 0.621 8.504 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.725 0.745 7.999 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.100 3.777 7.134 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.220 2.686 6.037 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.665 3.550 5.461 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.335 1.029 4.329 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.173 1.589 3.250 1.00 16.06 C ATOM 1133 C LEU A 71 -10.525 3.031 3.601 1.00 18.09 C ATOM 1134 O LEU A 71 -10.832 3.351 4.772 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.302 0.701 2.841 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.859 -0.743 2.479 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.078 -1.622 2.179 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.774 -0.906 1.396 1.00 19.57 C ATOM 0 H LEU A 71 -9.855 0.418 4.959 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.606 1.628 2.320 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.030 0.656 3.651 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.808 1.143 1.982 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.348 -1.082 3.380 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.747 -2.630 1.928 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.724 -1.661 3.056 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.632 -1.202 1.339 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.565 -1.965 1.247 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.125 -0.470 0.461 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.864 -0.398 1.714 1.00 19.57 H new