USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 482 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 19 ASN : amide:sc= 0.18 K(o=0.35,f=-4.8!) USER MOD Set 1.2: A 55 ASN : amide:sc= 0.169 K(o=0.35,f=-2.2!) USER MOD Single : A 1 LEU N :NH3+ 145:sc= 1.41 (180deg=1.03) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.32) USER MOD Single : A 5 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0698) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00148 USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 0.117 (180deg=0.0856) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= 0.0585 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0134) USER MOD Single : A 45 ASN : amide:sc= -0.0041 X(o=-0.0041,f=-0.0041) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -8:sc= 1.09 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0429 USER MOD Single : A 60 ASN : amide:sc= -0.846 K(o=-0.85,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.797 12.851 0.186 1.00 2.00 N ATOM 2 CA LEU A 1 0.066 12.051 -0.829 1.00 2.00 C ATOM 3 C LEU A 1 -1.499 12.230 -0.727 1.00 2.00 C ATOM 4 O LEU A 1 -2.037 13.008 0.064 1.00 2.00 O ATOM 5 CB LEU A 1 0.506 10.552 -0.648 1.00 2.00 C ATOM 6 CG LEU A 1 1.054 9.817 -1.899 1.00 2.00 C ATOM 7 CD1 LEU A 1 1.258 8.323 -1.594 1.00 2.00 C ATOM 8 CD2 LEU A 1 0.187 9.901 -3.159 1.00 2.00 C ATOM 0 H1 LEU A 1 1.640 12.328 0.499 1.00 2.00 H new ATOM 0 H2 LEU A 1 1.087 13.759 -0.231 1.00 2.00 H new ATOM 0 H3 LEU A 1 0.177 13.027 1.002 1.00 2.00 H new ATOM 0 HA LEU A 1 0.320 12.400 -1.830 1.00 2.00 H new ATOM 0 HB2 LEU A 1 1.272 10.516 0.127 1.00 2.00 H new ATOM 0 HB3 LEU A 1 -0.351 9.991 -0.275 1.00 2.00 H new ATOM 0 HG LEU A 1 1.985 10.341 -2.115 1.00 2.00 H new ATOM 0 HD11 LEU A 1 1.643 7.820 -2.481 1.00 2.00 H new ATOM 0 HD12 LEU A 1 1.970 8.213 -0.776 1.00 2.00 H new ATOM 0 HD13 LEU A 1 0.306 7.877 -1.308 1.00 2.00 H new ATOM 0 HD21 LEU A 1 0.668 9.352 -3.969 1.00 2.00 H new ATOM 0 HD22 LEU A 1 -0.792 9.466 -2.957 1.00 2.00 H new ATOM 0 HD23 LEU A 1 0.067 10.945 -3.449 1.00 2.00 H new ATOM 22 N LYS A 2 -2.204 11.512 -1.598 1.00 2.00 N ATOM 23 CA LYS A 2 -3.683 11.482 -1.712 1.00 2.00 C ATOM 24 C LYS A 2 -3.916 9.987 -2.114 1.00 2.00 C ATOM 25 O LYS A 2 -3.466 9.568 -3.182 1.00 2.00 O ATOM 26 CB LYS A 2 -4.291 12.481 -2.733 1.00 2.00 C ATOM 27 CG LYS A 2 -4.387 13.933 -2.223 1.00 2.00 C ATOM 28 CD LYS A 2 -5.056 14.885 -3.236 1.00 2.00 C ATOM 29 CE LYS A 2 -5.349 16.282 -2.663 1.00 2.00 C ATOM 30 NZ LYS A 2 -4.115 17.075 -2.500 1.00 2.00 N ATOM 0 H LYS A 2 -1.751 10.903 -2.280 1.00 2.00 H new ATOM 0 HA LYS A 2 -4.182 11.800 -0.797 1.00 2.00 H new ATOM 0 HB2 LYS A 2 -3.687 12.467 -3.641 1.00 2.00 H new ATOM 0 HB3 LYS A 2 -5.289 12.139 -3.008 1.00 2.00 H new ATOM 0 HG2 LYS A 2 -4.952 13.948 -1.291 1.00 2.00 H new ATOM 0 HG3 LYS A 2 -3.386 14.299 -1.995 1.00 2.00 H new ATOM 0 HD2 LYS A 2 -4.410 14.987 -4.108 1.00 2.00 H new ATOM 0 HD3 LYS A 2 -5.989 14.439 -3.580 1.00 2.00 H new ATOM 0 HE2 LYS A 2 -6.036 16.810 -3.324 1.00 2.00 H new ATOM 0 HE3 LYS A 2 -5.848 16.183 -1.699 1.00 2.00 H new ATOM 0 HZ1 LYS A 2 -4.352 18.010 -2.112 1.00 2.00 H new ATOM 0 HZ2 LYS A 2 -3.470 16.583 -1.849 1.00 2.00 H new ATOM 0 HZ3 LYS A 2 -3.652 17.191 -3.424 1.00 2.00 H new ATOM 43 N CYS A 3 -4.506 9.148 -1.253 1.00 2.00 N ATOM 44 CA CYS A 3 -4.760 7.710 -1.553 1.00 2.00 C ATOM 45 C CYS A 3 -6.206 7.235 -1.199 1.00 2.00 C ATOM 46 O CYS A 3 -6.870 7.784 -0.317 1.00 2.00 O ATOM 47 CB CYS A 3 -3.710 6.906 -0.754 1.00 2.00 C ATOM 48 SG CYS A 3 -2.027 7.228 -1.312 1.00 2.00 S ATOM 0 H CYS A 3 -4.825 9.434 -0.327 1.00 2.00 H new ATOM 0 HA CYS A 3 -4.674 7.550 -2.628 1.00 2.00 H new ATOM 0 HB2 CYS A 3 -3.793 7.156 0.304 1.00 2.00 H new ATOM 0 HB3 CYS A 3 -3.923 5.841 -0.848 1.00 2.00 H new ATOM 53 N ASN A 4 -6.656 6.152 -1.853 1.00 2.00 N ATOM 54 CA ASN A 4 -8.011 5.580 -1.632 1.00 2.00 C ATOM 55 C ASN A 4 -8.021 4.258 -0.809 1.00 2.00 C ATOM 56 O ASN A 4 -7.512 3.241 -1.295 1.00 2.00 O ATOM 57 CB ASN A 4 -8.646 5.264 -3.027 1.00 2.00 C ATOM 58 CG ASN A 4 -8.662 6.326 -4.133 1.00 2.00 C ATOM 59 OD1 ASN A 4 -8.700 7.532 -3.926 1.00 2.00 O ATOM 60 ND2 ASN A 4 -8.622 5.895 -5.368 1.00 2.00 N ATOM 0 H ASN A 4 -6.103 5.646 -2.545 1.00 2.00 H new ATOM 0 HA ASN A 4 -8.568 6.323 -1.061 1.00 2.00 H new ATOM 0 HB2 ASN A 4 -8.128 4.392 -3.426 1.00 2.00 H new ATOM 0 HB3 ASN A 4 -9.680 4.968 -2.850 1.00 2.00 H new ATOM 0 HD21 ASN A 4 -8.623 6.561 -6.141 1.00 2.00 H new ATOM 0 HD22 ASN A 4 -8.590 4.893 -5.558 1.00 2.00 H new ATOM 67 N LYS A 5 -8.644 4.208 0.387 1.00 2.00 N ATOM 68 CA LYS A 5 -8.684 2.952 1.208 1.00 2.00 C ATOM 69 C LYS A 5 -9.490 1.789 0.504 1.00 2.00 C ATOM 70 O LYS A 5 -9.979 1.948 -0.618 1.00 2.00 O ATOM 71 CB LYS A 5 -9.015 3.295 2.690 1.00 2.00 C ATOM 72 CG LYS A 5 -10.506 3.330 3.113 1.00 2.00 C ATOM 73 CD LYS A 5 -10.878 4.592 3.911 1.00 2.00 C ATOM 74 CE LYS A 5 -12.378 4.642 4.227 1.00 2.00 C ATOM 75 NZ LYS A 5 -12.682 5.870 4.987 1.00 2.00 N ATOM 0 H LYS A 5 -9.123 5.002 0.811 1.00 2.00 H new ATOM 0 HA LYS A 5 -7.696 2.496 1.265 1.00 2.00 H new ATOM 0 HB2 LYS A 5 -8.505 2.568 3.323 1.00 2.00 H new ATOM 0 HB3 LYS A 5 -8.582 4.270 2.912 1.00 2.00 H new ATOM 0 HG2 LYS A 5 -11.132 3.273 2.222 1.00 2.00 H new ATOM 0 HG3 LYS A 5 -10.727 2.449 3.715 1.00 2.00 H new ATOM 0 HD2 LYS A 5 -10.309 4.615 4.841 1.00 2.00 H new ATOM 0 HD3 LYS A 5 -10.596 5.478 3.342 1.00 2.00 H new ATOM 0 HE2 LYS A 5 -12.956 4.622 3.303 1.00 2.00 H new ATOM 0 HE3 LYS A 5 -12.668 3.764 4.804 1.00 2.00 H new ATOM 0 HZ1 LYS A 5 -13.639 5.802 5.389 1.00 2.00 H new ATOM 0 HZ2 LYS A 5 -11.991 5.982 5.756 1.00 2.00 H new ATOM 0 HZ3 LYS A 5 -12.631 6.692 4.353 1.00 2.00 H new ATOM 88 N LEU A 6 -9.614 0.605 1.118 1.00 2.00 N ATOM 89 CA LEU A 6 -10.353 -0.564 0.531 1.00 2.00 C ATOM 90 C LEU A 6 -11.723 -0.391 -0.212 1.00 2.00 C ATOM 91 O LEU A 6 -11.917 -0.978 -1.281 1.00 2.00 O ATOM 92 CB LEU A 6 -10.409 -1.675 1.631 1.00 2.00 C ATOM 93 CG LEU A 6 -9.907 -3.076 1.228 1.00 2.00 C ATOM 94 CD1 LEU A 6 -10.778 -3.778 0.175 1.00 2.00 C ATOM 95 CD2 LEU A 6 -8.447 -3.025 0.769 1.00 2.00 C ATOM 0 H LEU A 6 -9.212 0.412 2.035 1.00 2.00 H new ATOM 0 HA LEU A 6 -9.761 -0.817 -0.348 1.00 2.00 H new ATOM 0 HB2 LEU A 6 -9.823 -1.337 2.486 1.00 2.00 H new ATOM 0 HB3 LEU A 6 -11.441 -1.768 1.968 1.00 2.00 H new ATOM 0 HG LEU A 6 -9.983 -3.681 2.131 1.00 2.00 H new ATOM 0 HD11 LEU A 6 -10.356 -4.757 -0.052 1.00 2.00 H new ATOM 0 HD12 LEU A 6 -11.790 -3.900 0.562 1.00 2.00 H new ATOM 0 HD13 LEU A 6 -10.807 -3.176 -0.733 1.00 2.00 H new ATOM 0 HD21 LEU A 6 -8.118 -4.026 0.491 1.00 2.00 H new ATOM 0 HD22 LEU A 6 -8.359 -2.362 -0.091 1.00 2.00 H new ATOM 0 HD23 LEU A 6 -7.823 -2.651 1.581 1.00 2.00 H new ATOM 107 N ILE A 7 -12.649 0.412 0.328 1.00 2.00 N ATOM 108 CA ILE A 7 -13.997 0.666 -0.281 1.00 2.00 C ATOM 109 C ILE A 7 -13.919 1.198 -1.775 1.00 2.00 C ATOM 110 O ILE A 7 -13.001 1.983 -2.042 1.00 2.00 O ATOM 111 CB ILE A 7 -14.763 1.638 0.707 1.00 2.00 C ATOM 112 CG1 ILE A 7 -15.139 0.958 2.064 1.00 2.00 C ATOM 113 CG2 ILE A 7 -16.049 2.303 0.140 1.00 2.00 C ATOM 114 CD1 ILE A 7 -15.301 1.933 3.246 1.00 2.00 C ATOM 0 H ILE A 7 -12.501 0.914 1.203 1.00 2.00 H new ATOM 0 HA ILE A 7 -14.551 -0.266 -0.387 1.00 2.00 H new ATOM 0 HB ILE A 7 -14.024 2.424 0.860 1.00 2.00 H new ATOM 0 HG12 ILE A 7 -16.071 0.407 1.934 1.00 2.00 H new ATOM 0 HG13 ILE A 7 -14.370 0.228 2.315 1.00 2.00 H new ATOM 0 HG21 ILE A 7 -16.491 2.947 0.900 1.00 2.00 H new ATOM 0 HG22 ILE A 7 -15.794 2.899 -0.736 1.00 2.00 H new ATOM 0 HG23 ILE A 7 -16.764 1.530 -0.142 1.00 2.00 H new ATOM 0 HD11 ILE A 7 -15.562 1.375 4.145 1.00 2.00 H new ATOM 0 HD12 ILE A 7 -14.364 2.466 3.409 1.00 2.00 H new ATOM 0 HD13 ILE A 7 -16.092 2.649 3.021 1.00 2.00 H new ATOM 126 N PRO A 8 -14.805 0.826 -2.762 1.00 2.00 N ATOM 127 CA PRO A 8 -14.740 1.324 -4.178 1.00 2.00 C ATOM 128 C PRO A 8 -14.281 2.803 -4.439 1.00 2.00 C ATOM 129 O PRO A 8 -13.315 3.030 -5.171 1.00 2.00 O ATOM 130 CB PRO A 8 -16.129 0.935 -4.715 1.00 2.00 C ATOM 131 CG PRO A 8 -16.466 -0.355 -3.964 1.00 2.00 C ATOM 132 CD PRO A 8 -15.903 -0.142 -2.558 1.00 2.00 C ATOM 0 HA PRO A 8 -13.911 0.870 -4.720 1.00 2.00 H new ATOM 0 HB2 PRO A 8 -16.865 1.715 -4.520 1.00 2.00 H new ATOM 0 HB3 PRO A 8 -16.110 0.776 -5.793 1.00 2.00 H new ATOM 0 HG2 PRO A 8 -17.542 -0.529 -3.938 1.00 2.00 H new ATOM 0 HG3 PRO A 8 -16.014 -1.223 -4.445 1.00 2.00 H new ATOM 0 HD2 PRO A 8 -16.660 0.249 -1.879 1.00 2.00 H new ATOM 0 HD3 PRO A 8 -15.539 -1.075 -2.127 1.00 2.00 H new ATOM 140 N ILE A 9 -14.940 3.770 -3.791 1.00 2.00 N ATOM 141 CA ILE A 9 -14.638 5.230 -3.910 1.00 2.00 C ATOM 142 C ILE A 9 -14.423 5.783 -2.451 1.00 2.00 C ATOM 143 O ILE A 9 -15.251 6.491 -1.875 1.00 2.00 O ATOM 144 CB ILE A 9 -15.681 6.006 -4.807 1.00 2.00 C ATOM 145 CG1 ILE A 9 -17.188 5.603 -4.740 1.00 2.00 C ATOM 146 CG2 ILE A 9 -15.256 5.955 -6.297 1.00 2.00 C ATOM 147 CD1 ILE A 9 -17.883 5.829 -3.389 1.00 2.00 C ATOM 0 H ILE A 9 -15.713 3.574 -3.155 1.00 2.00 H new ATOM 0 HA ILE A 9 -13.716 5.400 -4.466 1.00 2.00 H new ATOM 0 HB ILE A 9 -15.642 7.000 -4.362 1.00 2.00 H new ATOM 0 HG12 ILE A 9 -17.728 6.163 -5.503 1.00 2.00 H new ATOM 0 HG13 ILE A 9 -17.274 4.548 -4.999 1.00 2.00 H new ATOM 0 HG21 ILE A 9 -15.985 6.494 -6.902 1.00 2.00 H new ATOM 0 HG22 ILE A 9 -14.276 6.418 -6.412 1.00 2.00 H new ATOM 0 HG23 ILE A 9 -15.208 4.917 -6.626 1.00 2.00 H new ATOM 0 HD11 ILE A 9 -18.924 5.514 -3.458 1.00 2.00 H new ATOM 0 HD12 ILE A 9 -17.378 5.246 -2.618 1.00 2.00 H new ATOM 0 HD13 ILE A 9 -17.840 6.887 -3.130 1.00 2.00 H new ATOM 159 N ALA A 10 -13.253 5.466 -1.869 1.00 2.00 N ATOM 160 CA ALA A 10 -12.857 5.883 -0.498 1.00 2.00 C ATOM 161 C ALA A 10 -12.298 7.342 -0.268 1.00 2.00 C ATOM 162 O ALA A 10 -12.468 8.243 -1.091 1.00 2.00 O ATOM 163 CB ALA A 10 -11.895 4.732 -0.139 1.00 2.00 C ATOM 0 H ALA A 10 -12.541 4.906 -2.338 1.00 2.00 H new ATOM 0 HA ALA A 10 -13.717 6.007 0.160 1.00 2.00 H new ATOM 0 HB1 ALA A 10 -11.502 4.886 0.866 1.00 2.00 H new ATOM 0 HB2 ALA A 10 -12.432 3.784 -0.177 1.00 2.00 H new ATOM 0 HB3 ALA A 10 -11.071 4.711 -0.852 1.00 2.00 H new ATOM 169 N SER A 11 -11.638 7.556 0.892 1.00 2.00 N ATOM 170 CA SER A 11 -11.033 8.859 1.311 1.00 2.00 C ATOM 171 C SER A 11 -9.961 9.524 0.356 1.00 2.00 C ATOM 172 O SER A 11 -9.654 9.010 -0.723 1.00 2.00 O ATOM 173 CB SER A 11 -10.538 8.597 2.762 1.00 2.00 C ATOM 174 OG SER A 11 -10.211 9.820 3.426 1.00 2.00 O ATOM 0 H SER A 11 -11.503 6.818 1.584 1.00 2.00 H new ATOM 0 HA SER A 11 -11.785 9.646 1.248 1.00 2.00 H new ATOM 0 HB2 SER A 11 -11.310 8.071 3.323 1.00 2.00 H new ATOM 0 HB3 SER A 11 -9.663 7.948 2.739 1.00 2.00 H new ATOM 0 HG SER A 11 -9.904 9.626 4.336 1.00 2.00 H new ATOM 180 N LYS A 12 -9.403 10.690 0.752 1.00 2.00 N ATOM 181 CA LYS A 12 -8.385 11.426 -0.058 1.00 2.00 C ATOM 182 C LYS A 12 -6.971 11.699 0.586 1.00 2.00 C ATOM 183 O LYS A 12 -6.077 10.859 0.484 1.00 2.00 O ATOM 184 CB LYS A 12 -9.160 12.664 -0.623 1.00 2.00 C ATOM 185 CG LYS A 12 -8.427 13.509 -1.696 1.00 2.00 C ATOM 186 CD LYS A 12 -9.201 14.771 -2.133 1.00 2.00 C ATOM 187 CE LYS A 12 -9.176 15.901 -1.089 1.00 2.00 C ATOM 188 NZ LYS A 12 -9.916 17.078 -1.584 1.00 2.00 N ATOM 0 H LYS A 12 -9.637 11.150 1.632 1.00 2.00 H new ATOM 0 HA LYS A 12 -8.006 10.788 -0.856 1.00 2.00 H new ATOM 0 HB2 LYS A 12 -10.100 12.313 -1.049 1.00 2.00 H new ATOM 0 HB3 LYS A 12 -9.413 13.318 0.212 1.00 2.00 H new ATOM 0 HG2 LYS A 12 -7.454 13.808 -1.307 1.00 2.00 H new ATOM 0 HG3 LYS A 12 -8.243 12.886 -2.571 1.00 2.00 H new ATOM 0 HD2 LYS A 12 -8.778 15.141 -3.067 1.00 2.00 H new ATOM 0 HD3 LYS A 12 -10.237 14.499 -2.337 1.00 2.00 H new ATOM 0 HE2 LYS A 12 -9.618 15.552 -0.156 1.00 2.00 H new ATOM 0 HE3 LYS A 12 -8.145 16.178 -0.869 1.00 2.00 H new ATOM 0 HZ1 LYS A 12 -9.889 17.831 -0.867 1.00 2.00 H new ATOM 0 HZ2 LYS A 12 -9.477 17.420 -2.462 1.00 2.00 H new ATOM 0 HZ3 LYS A 12 -10.904 16.813 -1.771 1.00 2.00 H new ATOM 201 N THR A 13 -6.746 12.859 1.226 1.00 2.00 N ATOM 202 CA THR A 13 -5.456 13.266 1.876 1.00 2.00 C ATOM 203 C THR A 13 -4.686 12.259 2.811 1.00 2.00 C ATOM 204 O THR A 13 -5.255 11.620 3.697 1.00 2.00 O ATOM 205 CB THR A 13 -5.718 14.654 2.560 1.00 2.00 C ATOM 206 OG1 THR A 13 -6.262 15.586 1.624 1.00 2.00 O ATOM 207 CG2 THR A 13 -4.480 15.375 3.121 1.00 2.00 C ATOM 0 H THR A 13 -7.470 13.572 1.317 1.00 2.00 H new ATOM 0 HA THR A 13 -4.726 13.301 1.067 1.00 2.00 H new ATOM 0 HB THR A 13 -6.385 14.387 3.380 1.00 2.00 H new ATOM 0 HG1 THR A 13 -6.420 16.444 2.071 1.00 2.00 H new ATOM 0 HG21 THR A 13 -4.782 16.322 3.569 1.00 2.00 H new ATOM 0 HG22 THR A 13 -4.007 14.750 3.878 1.00 2.00 H new ATOM 0 HG23 THR A 13 -3.773 15.565 2.314 1.00 2.00 H new ATOM 215 N CYS A 14 -3.354 12.172 2.606 1.00 2.00 N ATOM 216 CA CYS A 14 -2.434 11.283 3.375 1.00 2.00 C ATOM 217 C CYS A 14 -0.972 11.920 3.483 1.00 2.00 C ATOM 218 O CYS A 14 -0.586 12.679 2.584 1.00 2.00 O ATOM 219 CB CYS A 14 -2.512 9.920 2.641 1.00 2.00 C ATOM 220 SG CYS A 14 -2.103 8.538 3.714 1.00 2.00 S ATOM 0 H CYS A 14 -2.874 12.722 1.894 1.00 2.00 H new ATOM 0 HA CYS A 14 -2.715 11.153 4.420 1.00 2.00 H new ATOM 0 HB2 CYS A 14 -3.517 9.782 2.243 1.00 2.00 H new ATOM 0 HB3 CYS A 14 -1.831 9.929 1.790 1.00 2.00 H new ATOM 225 N PRO A 15 -0.090 11.632 4.491 1.00 2.00 N ATOM 226 CA PRO A 15 1.290 12.228 4.614 1.00 2.00 C ATOM 227 C PRO A 15 2.333 12.432 3.452 1.00 2.00 C ATOM 228 O PRO A 15 2.271 11.821 2.382 1.00 2.00 O ATOM 229 CB PRO A 15 1.882 11.353 5.740 1.00 2.00 C ATOM 230 CG PRO A 15 0.696 11.019 6.640 1.00 2.00 C ATOM 231 CD PRO A 15 -0.454 10.802 5.663 1.00 2.00 C ATOM 0 HA PRO A 15 1.122 13.299 4.730 1.00 2.00 H new ATOM 0 HB2 PRO A 15 2.341 10.449 5.339 1.00 2.00 H new ATOM 0 HB3 PRO A 15 2.657 11.887 6.289 1.00 2.00 H new ATOM 0 HG2 PRO A 15 0.886 10.128 7.238 1.00 2.00 H new ATOM 0 HG3 PRO A 15 0.482 11.830 7.336 1.00 2.00 H new ATOM 0 HD2 PRO A 15 -0.555 9.751 5.392 1.00 2.00 H new ATOM 0 HD3 PRO A 15 -1.406 11.113 6.092 1.00 2.00 H new ATOM 239 N ALA A 16 3.271 13.378 3.681 1.00 2.00 N ATOM 240 CA ALA A 16 4.369 13.744 2.729 1.00 2.00 C ATOM 241 C ALA A 16 5.545 12.723 2.798 1.00 2.00 C ATOM 242 O ALA A 16 5.610 11.928 3.744 1.00 2.00 O ATOM 243 CB ALA A 16 4.788 15.174 3.133 1.00 2.00 C ATOM 0 H ALA A 16 3.296 13.923 4.543 1.00 2.00 H new ATOM 0 HA ALA A 16 4.045 13.714 1.689 1.00 2.00 H new ATOM 0 HB1 ALA A 16 5.591 15.516 2.480 1.00 2.00 H new ATOM 0 HB2 ALA A 16 3.934 15.844 3.038 1.00 2.00 H new ATOM 0 HB3 ALA A 16 5.135 15.173 4.166 1.00 2.00 H new ATOM 249 N GLY A 17 6.533 12.736 1.872 1.00 2.00 N ATOM 250 CA GLY A 17 7.661 11.721 1.940 1.00 2.00 C ATOM 251 C GLY A 17 7.176 10.403 1.247 1.00 2.00 C ATOM 252 O GLY A 17 7.817 9.847 0.356 1.00 2.00 O ATOM 0 H GLY A 17 6.592 13.396 1.096 1.00 2.00 H new ATOM 0 HA2 GLY A 17 8.550 12.107 1.442 1.00 2.00 H new ATOM 0 HA3 GLY A 17 7.935 11.527 2.977 1.00 2.00 H new ATOM 256 N LYS A 18 5.995 9.959 1.708 1.00 2.00 N ATOM 257 CA LYS A 18 5.229 8.781 1.298 1.00 2.00 C ATOM 258 C LYS A 18 4.644 9.094 -0.127 1.00 2.00 C ATOM 259 O LYS A 18 3.714 9.896 -0.268 1.00 2.00 O ATOM 260 CB LYS A 18 4.102 8.592 2.369 1.00 2.00 C ATOM 261 CG LYS A 18 4.466 8.538 3.881 1.00 2.00 C ATOM 262 CD LYS A 18 5.400 7.393 4.330 1.00 2.00 C ATOM 263 CE LYS A 18 6.287 7.729 5.541 1.00 2.00 C ATOM 264 NZ LYS A 18 7.437 8.568 5.139 1.00 2.00 N ATOM 0 H LYS A 18 5.511 10.468 2.447 1.00 2.00 H new ATOM 0 HA LYS A 18 5.818 7.866 1.239 1.00 2.00 H new ATOM 0 HB2 LYS A 18 3.389 9.406 2.236 1.00 2.00 H new ATOM 0 HB3 LYS A 18 3.578 7.667 2.129 1.00 2.00 H new ATOM 0 HG2 LYS A 18 4.934 9.484 4.152 1.00 2.00 H new ATOM 0 HG3 LYS A 18 3.540 8.465 4.451 1.00 2.00 H new ATOM 0 HD2 LYS A 18 4.793 6.520 4.571 1.00 2.00 H new ATOM 0 HD3 LYS A 18 6.040 7.115 3.493 1.00 2.00 H new ATOM 0 HE2 LYS A 18 5.697 8.251 6.295 1.00 2.00 H new ATOM 0 HE3 LYS A 18 6.647 6.808 5.999 1.00 2.00 H new ATOM 0 HZ1 LYS A 18 8.124 8.613 5.919 1.00 2.00 H new ATOM 0 HZ2 LYS A 18 7.892 8.154 4.300 1.00 2.00 H new ATOM 0 HZ3 LYS A 18 7.105 9.528 4.915 1.00 2.00 H new ATOM 277 N ASN A 19 5.269 8.553 -1.182 1.00 2.00 N ATOM 278 CA ASN A 19 4.842 8.747 -2.606 1.00 2.00 C ATOM 279 C ASN A 19 4.160 7.528 -3.330 1.00 2.00 C ATOM 280 O ASN A 19 3.618 7.691 -4.422 1.00 2.00 O ATOM 281 CB ASN A 19 5.965 9.503 -3.377 1.00 2.00 C ATOM 282 CG ASN A 19 7.343 8.876 -3.609 1.00 2.00 C ATOM 283 OD1 ASN A 19 7.793 8.724 -4.734 1.00 2.00 O ATOM 284 ND2 ASN A 19 8.129 8.619 -2.595 1.00 2.00 N ATOM 0 H ASN A 19 6.094 7.961 -1.088 1.00 2.00 H new ATOM 0 HA ASN A 19 3.963 9.391 -2.598 1.00 2.00 H new ATOM 0 HB2 ASN A 19 5.562 9.752 -4.359 1.00 2.00 H new ATOM 0 HB3 ASN A 19 6.130 10.444 -2.852 1.00 2.00 H new ATOM 0 HD21 ASN A 19 9.085 8.303 -2.758 1.00 2.00 H new ATOM 0 HD22 ASN A 19 7.786 8.735 -1.641 1.00 2.00 H new ATOM 291 N LEU A 20 4.142 6.341 -2.710 1.00 2.00 N ATOM 292 CA LEU A 20 3.542 5.094 -3.231 1.00 2.00 C ATOM 293 C LEU A 20 2.141 4.872 -2.574 1.00 2.00 C ATOM 294 O LEU A 20 2.026 4.690 -1.355 1.00 2.00 O ATOM 295 CB LEU A 20 4.431 3.865 -2.856 1.00 2.00 C ATOM 296 CG LEU A 20 5.823 3.651 -3.503 1.00 2.00 C ATOM 297 CD1 LEU A 20 6.548 2.461 -2.853 1.00 2.00 C ATOM 298 CD2 LEU A 20 5.753 3.338 -4.999 1.00 2.00 C ATOM 0 H LEU A 20 4.563 6.212 -1.790 1.00 2.00 H new ATOM 0 HA LEU A 20 3.458 5.185 -4.314 1.00 2.00 H new ATOM 0 HB2 LEU A 20 4.584 3.901 -1.777 1.00 2.00 H new ATOM 0 HB3 LEU A 20 3.843 2.972 -3.065 1.00 2.00 H new ATOM 0 HG LEU A 20 6.352 4.592 -3.349 1.00 2.00 H new ATOM 0 HD11 LEU A 20 7.523 2.329 -3.322 1.00 2.00 H new ATOM 0 HD12 LEU A 20 6.681 2.653 -1.788 1.00 2.00 H new ATOM 0 HD13 LEU A 20 5.955 1.556 -2.987 1.00 2.00 H new ATOM 0 HD21 LEU A 20 6.761 3.200 -5.389 1.00 2.00 H new ATOM 0 HD22 LEU A 20 5.176 2.426 -5.153 1.00 2.00 H new ATOM 0 HD23 LEU A 20 5.272 4.165 -5.522 1.00 2.00 H new ATOM 310 N CYS A 21 1.049 4.932 -3.352 1.00 2.00 N ATOM 311 CA CYS A 21 -0.330 4.719 -2.831 1.00 2.00 C ATOM 312 C CYS A 21 -0.401 3.145 -2.767 1.00 2.00 C ATOM 313 O CYS A 21 -0.493 2.464 -3.797 1.00 2.00 O ATOM 314 CB CYS A 21 -1.346 5.376 -3.794 1.00 2.00 C ATOM 315 SG CYS A 21 -1.780 7.056 -3.301 1.00 2.00 S ATOM 0 H CYS A 21 1.085 5.127 -4.353 1.00 2.00 H new ATOM 0 HA CYS A 21 -0.562 5.165 -1.864 1.00 2.00 H new ATOM 0 HB2 CYS A 21 -0.929 5.393 -4.801 1.00 2.00 H new ATOM 0 HB3 CYS A 21 -2.250 4.768 -3.834 1.00 2.00 H new ATOM 320 N TYR A 22 -0.233 2.561 -1.567 1.00 2.00 N ATOM 321 CA TYR A 22 -0.267 1.090 -1.377 1.00 2.00 C ATOM 322 C TYR A 22 -1.637 0.356 -1.394 1.00 2.00 C ATOM 323 O TYR A 22 -2.714 0.922 -1.215 1.00 2.00 O ATOM 324 CB TYR A 22 0.725 0.661 -0.248 1.00 2.00 C ATOM 325 CG TYR A 22 0.309 0.786 1.230 1.00 2.00 C ATOM 326 CD1 TYR A 22 0.531 1.988 1.896 1.00 2.00 C ATOM 327 CD2 TYR A 22 -0.177 -0.309 1.952 1.00 2.00 C ATOM 328 CE1 TYR A 22 0.264 2.106 3.260 1.00 2.00 C ATOM 329 CE2 TYR A 22 -0.441 -0.191 3.320 1.00 2.00 C ATOM 330 CZ TYR A 22 -0.233 1.021 3.966 1.00 2.00 C ATOM 331 OH TYR A 22 -0.512 1.157 5.299 1.00 2.00 O ATOM 0 H TYR A 22 -0.071 3.084 -0.707 1.00 2.00 H new ATOM 0 HA TYR A 22 0.096 0.692 -2.325 1.00 2.00 H new ATOM 0 HB2 TYR A 22 0.986 -0.383 -0.424 1.00 2.00 H new ATOM 0 HB3 TYR A 22 1.637 1.244 -0.379 1.00 2.00 H new ATOM 0 HD1 TYR A 22 0.914 2.838 1.351 1.00 2.00 H new ATOM 0 HD2 TYR A 22 -0.349 -1.250 1.451 1.00 2.00 H new ATOM 0 HE1 TYR A 22 0.444 3.043 3.766 1.00 2.00 H new ATOM 0 HE2 TYR A 22 -0.807 -1.042 3.875 1.00 2.00 H new ATOM 0 HH TYR A 22 -0.854 0.308 5.650 1.00 2.00 H new ATOM 341 N LYS A 23 -1.531 -0.952 -1.632 1.00 2.00 N ATOM 342 CA LYS A 23 -2.657 -1.905 -1.704 1.00 2.00 C ATOM 343 C LYS A 23 -2.137 -3.132 -0.884 1.00 2.00 C ATOM 344 O LYS A 23 -1.509 -4.054 -1.407 1.00 2.00 O ATOM 345 CB LYS A 23 -2.967 -2.096 -3.216 1.00 2.00 C ATOM 346 CG LYS A 23 -4.310 -2.766 -3.545 1.00 2.00 C ATOM 347 CD LYS A 23 -4.869 -2.378 -4.929 1.00 2.00 C ATOM 348 CE LYS A 23 -6.234 -3.030 -5.201 1.00 2.00 C ATOM 349 NZ LYS A 23 -6.837 -2.435 -6.412 1.00 2.00 N ATOM 0 H LYS A 23 -0.628 -1.401 -1.787 1.00 2.00 H new ATOM 0 HA LYS A 23 -3.619 -1.624 -1.275 1.00 2.00 H new ATOM 0 HB2 LYS A 23 -2.942 -1.119 -3.699 1.00 2.00 H new ATOM 0 HB3 LYS A 23 -2.168 -2.691 -3.659 1.00 2.00 H new ATOM 0 HG2 LYS A 23 -4.187 -3.848 -3.502 1.00 2.00 H new ATOM 0 HG3 LYS A 23 -5.038 -2.497 -2.780 1.00 2.00 H new ATOM 0 HD2 LYS A 23 -4.966 -1.294 -4.990 1.00 2.00 H new ATOM 0 HD3 LYS A 23 -4.163 -2.679 -5.703 1.00 2.00 H new ATOM 0 HE2 LYS A 23 -6.114 -4.105 -5.333 1.00 2.00 H new ATOM 0 HE3 LYS A 23 -6.894 -2.885 -4.346 1.00 2.00 H new ATOM 0 HZ1 LYS A 23 -7.872 -2.412 -6.309 1.00 2.00 H new ATOM 0 HZ2 LYS A 23 -6.480 -1.466 -6.537 1.00 2.00 H new ATOM 0 HZ3 LYS A 23 -6.584 -3.007 -7.243 1.00 2.00 H new ATOM 362 N MET A 24 -2.365 -3.079 0.437 1.00 2.00 N ATOM 363 CA MET A 24 -1.961 -4.116 1.431 1.00 2.00 C ATOM 364 C MET A 24 -2.561 -5.552 1.287 1.00 2.00 C ATOM 365 O MET A 24 -3.473 -5.934 2.019 1.00 2.00 O ATOM 366 CB MET A 24 -2.362 -3.421 2.762 1.00 2.00 C ATOM 367 CG MET A 24 -1.883 -4.045 4.072 1.00 2.00 C ATOM 368 SD MET A 24 -2.519 -3.162 5.503 1.00 2.00 S ATOM 369 CE MET A 24 -1.784 -4.175 6.796 1.00 2.00 C ATOM 0 H MET A 24 -2.851 -2.293 0.869 1.00 2.00 H new ATOM 0 HA MET A 24 -0.908 -4.374 1.318 1.00 2.00 H new ATOM 0 HB2 MET A 24 -1.994 -2.396 2.727 1.00 2.00 H new ATOM 0 HB3 MET A 24 -3.450 -3.368 2.796 1.00 2.00 H new ATOM 0 HG2 MET A 24 -2.201 -5.087 4.116 1.00 2.00 H new ATOM 0 HG3 MET A 24 -0.793 -4.043 4.098 1.00 2.00 H new ATOM 0 HE1 MET A 24 -2.067 -3.781 7.772 1.00 2.00 H new ATOM 0 HE2 MET A 24 -2.140 -5.201 6.701 1.00 2.00 H new ATOM 0 HE3 MET A 24 -0.698 -4.158 6.699 1.00 2.00 H new ATOM 379 N PHE A 25 -2.066 -6.355 0.343 1.00 2.00 N ATOM 380 CA PHE A 25 -2.560 -7.739 0.122 1.00 2.00 C ATOM 381 C PHE A 25 -2.170 -8.705 1.294 1.00 2.00 C ATOM 382 O PHE A 25 -1.008 -8.742 1.712 1.00 2.00 O ATOM 383 CB PHE A 25 -1.998 -8.242 -1.250 1.00 2.00 C ATOM 384 CG PHE A 25 -2.548 -7.790 -2.621 1.00 2.00 C ATOM 385 CD1 PHE A 25 -3.711 -7.034 -2.785 1.00 2.00 C ATOM 386 CD2 PHE A 25 -1.899 -8.281 -3.762 1.00 2.00 C ATOM 387 CE1 PHE A 25 -4.206 -6.755 -4.057 1.00 2.00 C ATOM 388 CE2 PHE A 25 -2.404 -8.017 -5.034 1.00 2.00 C ATOM 389 CZ PHE A 25 -3.548 -7.241 -5.181 1.00 2.00 C ATOM 0 H PHE A 25 -1.317 -6.078 -0.292 1.00 2.00 H new ATOM 0 HA PHE A 25 -3.650 -7.732 0.099 1.00 2.00 H new ATOM 0 HB2 PHE A 25 -0.935 -8.000 -1.252 1.00 2.00 H new ATOM 0 HB3 PHE A 25 -2.077 -9.329 -1.232 1.00 2.00 H new ATOM 0 HD1 PHE A 25 -4.233 -6.661 -1.916 1.00 2.00 H new ATOM 0 HD2 PHE A 25 -1.000 -8.869 -3.655 1.00 2.00 H new ATOM 0 HE1 PHE A 25 -5.101 -6.161 -4.170 1.00 2.00 H new ATOM 0 HE2 PHE A 25 -1.906 -8.415 -5.906 1.00 2.00 H new ATOM 0 HZ PHE A 25 -3.925 -7.016 -6.168 1.00 2.00 H new ATOM 399 N MET A 26 -3.131 -9.446 1.886 1.00 2.00 N ATOM 400 CA MET A 26 -2.829 -10.397 3.007 1.00 2.00 C ATOM 401 C MET A 26 -1.896 -11.527 2.462 1.00 2.00 C ATOM 402 O MET A 26 -2.206 -12.075 1.400 1.00 2.00 O ATOM 403 CB MET A 26 -4.119 -11.119 3.508 1.00 2.00 C ATOM 404 CG MET A 26 -5.207 -10.287 4.189 1.00 2.00 C ATOM 405 SD MET A 26 -6.672 -11.298 4.490 1.00 2.00 S ATOM 406 CE MET A 26 -7.729 -10.737 3.143 1.00 2.00 C ATOM 0 H MET A 26 -4.115 -9.414 1.619 1.00 2.00 H new ATOM 0 HA MET A 26 -2.379 -9.821 3.816 1.00 2.00 H new ATOM 0 HB2 MET A 26 -4.572 -11.619 2.652 1.00 2.00 H new ATOM 0 HB3 MET A 26 -3.812 -11.898 4.206 1.00 2.00 H new ATOM 0 HG2 MET A 26 -4.832 -9.888 5.131 1.00 2.00 H new ATOM 0 HG3 MET A 26 -5.468 -9.434 3.562 1.00 2.00 H new ATOM 0 HE1 MET A 26 -8.681 -11.266 3.183 1.00 2.00 H new ATOM 0 HE2 MET A 26 -7.905 -9.666 3.240 1.00 2.00 H new ATOM 0 HE3 MET A 26 -7.241 -10.940 2.189 1.00 2.00 H new ATOM 416 N MET A 27 -0.779 -11.904 3.118 1.00 2.00 N ATOM 417 CA MET A 27 0.105 -13.002 2.575 1.00 2.00 C ATOM 418 C MET A 27 -0.664 -14.358 2.263 1.00 2.00 C ATOM 419 O MET A 27 -0.294 -15.105 1.355 1.00 2.00 O ATOM 420 CB MET A 27 1.360 -13.190 3.471 1.00 2.00 C ATOM 421 CG MET A 27 2.696 -13.253 2.705 1.00 2.00 C ATOM 422 SD MET A 27 2.700 -14.594 1.497 1.00 2.00 S ATOM 423 CE MET A 27 4.028 -14.017 0.429 1.00 2.00 C ATOM 0 H MET A 27 -0.460 -11.492 3.995 1.00 2.00 H new ATOM 0 HA MET A 27 0.451 -12.675 1.595 1.00 2.00 H new ATOM 0 HB2 MET A 27 1.405 -12.368 4.186 1.00 2.00 H new ATOM 0 HB3 MET A 27 1.244 -14.108 4.047 1.00 2.00 H new ATOM 0 HG2 MET A 27 2.872 -12.304 2.198 1.00 2.00 H new ATOM 0 HG3 MET A 27 3.515 -13.394 3.410 1.00 2.00 H new ATOM 0 HE1 MET A 27 4.175 -14.727 -0.384 1.00 2.00 H new ATOM 0 HE2 MET A 27 3.766 -13.043 0.017 1.00 2.00 H new ATOM 0 HE3 MET A 27 4.948 -13.931 1.007 1.00 2.00 H new ATOM 433 N SER A 28 -1.732 -14.655 3.034 1.00 2.00 N ATOM 434 CA SER A 28 -2.576 -15.866 2.876 1.00 2.00 C ATOM 435 C SER A 28 -3.692 -15.672 1.765 1.00 2.00 C ATOM 436 O SER A 28 -4.014 -16.621 1.048 1.00 2.00 O ATOM 437 CB SER A 28 -3.188 -16.253 4.244 1.00 2.00 C ATOM 438 OG SER A 28 -2.189 -16.501 5.236 1.00 2.00 O ATOM 0 H SER A 28 -2.040 -14.052 3.797 1.00 2.00 H new ATOM 0 HA SER A 28 -1.945 -16.685 2.531 1.00 2.00 H new ATOM 0 HB2 SER A 28 -3.844 -15.452 4.585 1.00 2.00 H new ATOM 0 HB3 SER A 28 -3.806 -17.143 4.124 1.00 2.00 H new ATOM 0 HG SER A 28 -2.621 -16.740 6.083 1.00 2.00 H new ATOM 444 N ASP A 29 -4.335 -14.484 1.673 1.00 2.00 N ATOM 445 CA ASP A 29 -5.400 -14.154 0.679 1.00 2.00 C ATOM 446 C ASP A 29 -5.024 -12.767 0.043 1.00 2.00 C ATOM 447 O ASP A 29 -5.523 -11.715 0.447 1.00 2.00 O ATOM 448 CB ASP A 29 -6.769 -14.209 1.406 1.00 2.00 C ATOM 449 CG ASP A 29 -7.966 -13.973 0.490 1.00 2.00 C ATOM 450 OD1 ASP A 29 -8.242 -14.679 -0.473 1.00 2.00 O ATOM 451 OD2 ASP A 29 -8.690 -12.880 0.849 1.00 2.00 O ATOM 0 H ASP A 29 -4.127 -13.706 2.299 1.00 2.00 H new ATOM 0 HA ASP A 29 -5.479 -14.862 -0.146 1.00 2.00 H new ATOM 0 HB2 ASP A 29 -6.876 -15.183 1.884 1.00 2.00 H new ATOM 0 HB3 ASP A 29 -6.778 -13.462 2.199 1.00 2.00 H new ATOM 457 N LEU A 30 -4.229 -12.784 -1.034 1.00 2.00 N ATOM 458 CA LEU A 30 -3.771 -11.561 -1.745 1.00 2.00 C ATOM 459 C LEU A 30 -4.804 -10.566 -2.402 1.00 2.00 C ATOM 460 O LEU A 30 -5.117 -9.545 -1.789 1.00 2.00 O ATOM 461 CB LEU A 30 -2.646 -12.019 -2.749 1.00 2.00 C ATOM 462 CG LEU A 30 -1.271 -12.593 -2.298 1.00 2.00 C ATOM 463 CD1 LEU A 30 -0.429 -11.591 -1.498 1.00 2.00 C ATOM 464 CD2 LEU A 30 -1.335 -13.937 -1.555 1.00 2.00 C ATOM 0 H LEU A 30 -3.877 -13.648 -1.448 1.00 2.00 H new ATOM 0 HA LEU A 30 -3.428 -10.896 -0.952 1.00 2.00 H new ATOM 0 HB2 LEU A 30 -3.098 -12.775 -3.391 1.00 2.00 H new ATOM 0 HB3 LEU A 30 -2.427 -11.156 -3.378 1.00 2.00 H new ATOM 0 HG LEU A 30 -0.772 -12.789 -3.247 1.00 2.00 H new ATOM 0 HD11 LEU A 30 0.516 -12.054 -1.215 1.00 2.00 H new ATOM 0 HD12 LEU A 30 -0.232 -10.711 -2.110 1.00 2.00 H new ATOM 0 HD13 LEU A 30 -0.972 -11.295 -0.600 1.00 2.00 H new ATOM 0 HD21 LEU A 30 -0.327 -14.251 -1.284 1.00 2.00 H new ATOM 0 HD22 LEU A 30 -1.936 -13.825 -0.652 1.00 2.00 H new ATOM 0 HD23 LEU A 30 -1.788 -14.689 -2.201 1.00 2.00 H new ATOM 476 N THR A 31 -5.291 -10.844 -3.631 1.00 2.00 N ATOM 477 CA THR A 31 -6.275 -10.014 -4.420 1.00 2.00 C ATOM 478 C THR A 31 -7.207 -8.931 -3.767 1.00 2.00 C ATOM 479 O THR A 31 -7.342 -7.838 -4.324 1.00 2.00 O ATOM 480 CB THR A 31 -6.994 -10.961 -5.436 1.00 2.00 C ATOM 481 OG1 THR A 31 -7.763 -10.207 -6.364 1.00 2.00 O ATOM 482 CG2 THR A 31 -7.935 -12.029 -4.852 1.00 2.00 C ATOM 0 H THR A 31 -5.008 -11.684 -4.136 1.00 2.00 H new ATOM 0 HA THR A 31 -5.631 -9.266 -4.883 1.00 2.00 H new ATOM 0 HB THR A 31 -6.158 -11.494 -5.890 1.00 2.00 H new ATOM 0 HG1 THR A 31 -8.205 -10.815 -6.993 1.00 2.00 H new ATOM 0 HG21 THR A 31 -8.367 -12.616 -5.663 1.00 2.00 H new ATOM 0 HG22 THR A 31 -7.373 -12.686 -4.188 1.00 2.00 H new ATOM 0 HG23 THR A 31 -8.733 -11.543 -4.291 1.00 2.00 H new ATOM 490 N ILE A 32 -7.967 -9.269 -2.715 1.00 2.00 N ATOM 491 CA ILE A 32 -8.884 -8.320 -2.003 1.00 2.00 C ATOM 492 C ILE A 32 -7.938 -7.907 -0.793 1.00 2.00 C ATOM 493 O ILE A 32 -7.738 -8.732 0.108 1.00 2.00 O ATOM 494 CB ILE A 32 -10.265 -8.988 -1.636 1.00 2.00 C ATOM 495 CG1 ILE A 32 -11.312 -8.981 -2.794 1.00 2.00 C ATOM 496 CG2 ILE A 32 -10.968 -8.321 -0.423 1.00 2.00 C ATOM 497 CD1 ILE A 32 -10.996 -9.863 -4.011 1.00 2.00 C ATOM 0 H ILE A 32 -7.974 -10.209 -2.320 1.00 2.00 H new ATOM 0 HA ILE A 32 -9.242 -7.457 -2.565 1.00 2.00 H new ATOM 0 HB ILE A 32 -9.969 -10.011 -1.406 1.00 2.00 H new ATOM 0 HG12 ILE A 32 -12.273 -9.294 -2.386 1.00 2.00 H new ATOM 0 HG13 ILE A 32 -11.432 -7.954 -3.139 1.00 2.00 H new ATOM 0 HG21 ILE A 32 -11.912 -8.829 -0.225 1.00 2.00 H new ATOM 0 HG22 ILE A 32 -10.326 -8.393 0.455 1.00 2.00 H new ATOM 0 HG23 ILE A 32 -11.161 -7.272 -0.646 1.00 2.00 H new ATOM 0 HD11 ILE A 32 -11.797 -9.772 -4.744 1.00 2.00 H new ATOM 0 HD12 ILE A 32 -10.056 -9.542 -4.459 1.00 2.00 H new ATOM 0 HD13 ILE A 32 -10.910 -10.903 -3.695 1.00 2.00 H new ATOM 509 N PRO A 33 -7.326 -6.687 -0.723 1.00 2.00 N ATOM 510 CA PRO A 33 -6.431 -6.311 0.408 1.00 2.00 C ATOM 511 C PRO A 33 -7.032 -5.990 1.820 1.00 2.00 C ATOM 512 O PRO A 33 -8.244 -5.956 2.042 1.00 2.00 O ATOM 513 CB PRO A 33 -5.699 -5.077 -0.197 1.00 2.00 C ATOM 514 CG PRO A 33 -6.343 -4.703 -1.528 1.00 2.00 C ATOM 515 CD PRO A 33 -7.506 -5.645 -1.745 1.00 2.00 C ATOM 0 HA PRO A 33 -5.834 -7.177 0.695 1.00 2.00 H new ATOM 0 HB2 PRO A 33 -5.752 -4.235 0.494 1.00 2.00 H new ATOM 0 HB3 PRO A 33 -4.643 -5.303 -0.343 1.00 2.00 H new ATOM 0 HG2 PRO A 33 -6.685 -3.668 -1.512 1.00 2.00 H new ATOM 0 HG3 PRO A 33 -5.622 -4.789 -2.341 1.00 2.00 H new ATOM 0 HD2 PRO A 33 -8.461 -5.132 -1.626 1.00 2.00 H new ATOM 0 HD3 PRO A 33 -7.494 -6.067 -2.750 1.00 2.00 H new ATOM 523 N VAL A 34 -6.124 -5.701 2.765 1.00 2.00 N ATOM 524 CA VAL A 34 -6.462 -5.350 4.176 1.00 2.00 C ATOM 525 C VAL A 34 -6.744 -3.791 4.207 1.00 2.00 C ATOM 526 O VAL A 34 -7.857 -3.347 4.498 1.00 2.00 O ATOM 527 CB VAL A 34 -5.352 -5.732 5.225 1.00 2.00 C ATOM 528 CG1 VAL A 34 -5.747 -5.402 6.685 1.00 2.00 C ATOM 529 CG2 VAL A 34 -4.947 -7.207 5.218 1.00 2.00 C ATOM 0 H VAL A 34 -5.121 -5.701 2.581 1.00 2.00 H new ATOM 0 HA VAL A 34 -7.332 -5.934 4.475 1.00 2.00 H new ATOM 0 HB VAL A 34 -4.513 -5.119 4.897 1.00 2.00 H new ATOM 0 HG11 VAL A 34 -4.937 -5.691 7.355 1.00 2.00 H new ATOM 0 HG12 VAL A 34 -5.932 -4.332 6.779 1.00 2.00 H new ATOM 0 HG13 VAL A 34 -6.651 -5.951 6.950 1.00 2.00 H new ATOM 0 HG21 VAL A 34 -4.178 -7.377 5.972 1.00 2.00 H new ATOM 0 HG22 VAL A 34 -5.817 -7.824 5.441 1.00 2.00 H new ATOM 0 HG23 VAL A 34 -4.556 -7.472 4.236 1.00 2.00 H new ATOM 539 N LYS A 35 -5.723 -2.964 3.888 1.00 2.00 N ATOM 540 CA LYS A 35 -5.817 -1.488 3.870 1.00 2.00 C ATOM 541 C LYS A 35 -5.075 -0.830 2.668 1.00 2.00 C ATOM 542 O LYS A 35 -3.845 -0.820 2.583 1.00 2.00 O ATOM 543 CB LYS A 35 -5.254 -0.972 5.230 1.00 2.00 C ATOM 544 CG LYS A 35 -5.457 0.537 5.524 1.00 2.00 C ATOM 545 CD LYS A 35 -4.670 1.057 6.746 1.00 2.00 C ATOM 546 CE LYS A 35 -5.166 0.511 8.095 1.00 2.00 C ATOM 547 NZ LYS A 35 -4.369 1.094 9.193 1.00 2.00 N ATOM 0 H LYS A 35 -4.798 -3.309 3.632 1.00 2.00 H new ATOM 0 HA LYS A 35 -6.861 -1.204 3.739 1.00 2.00 H new ATOM 0 HB2 LYS A 35 -5.719 -1.544 6.033 1.00 2.00 H new ATOM 0 HB3 LYS A 35 -4.186 -1.187 5.263 1.00 2.00 H new ATOM 0 HG2 LYS A 35 -5.161 1.110 4.645 1.00 2.00 H new ATOM 0 HG3 LYS A 35 -6.519 0.725 5.684 1.00 2.00 H new ATOM 0 HD2 LYS A 35 -3.619 0.795 6.625 1.00 2.00 H new ATOM 0 HD3 LYS A 35 -4.727 2.145 6.764 1.00 2.00 H new ATOM 0 HE2 LYS A 35 -6.220 0.753 8.230 1.00 2.00 H new ATOM 0 HE3 LYS A 35 -5.084 -0.576 8.111 1.00 2.00 H new ATOM 0 HZ1 LYS A 35 -4.708 0.722 10.103 1.00 2.00 H new ATOM 0 HZ2 LYS A 35 -3.368 0.842 9.067 1.00 2.00 H new ATOM 0 HZ3 LYS A 35 -4.469 2.129 9.183 1.00 2.00 H new ATOM 560 N ARG A 36 -5.818 -0.205 1.751 1.00 2.00 N ATOM 561 CA ARG A 36 -5.228 0.465 0.554 1.00 2.00 C ATOM 562 C ARG A 36 -4.789 1.950 0.913 1.00 2.00 C ATOM 563 O ARG A 36 -5.407 2.923 0.487 1.00 2.00 O ATOM 564 CB ARG A 36 -6.308 0.148 -0.523 1.00 2.00 C ATOM 565 CG ARG A 36 -5.993 0.463 -1.993 1.00 2.00 C ATOM 566 CD ARG A 36 -7.058 -0.023 -3.002 1.00 2.00 C ATOM 567 NE ARG A 36 -8.298 0.795 -2.892 1.00 2.00 N ATOM 568 CZ ARG A 36 -9.380 0.680 -3.648 1.00 2.00 C ATOM 569 NH1 ARG A 36 -9.477 -0.132 -4.661 1.00 2.00 N ATOM 570 NH2 ARG A 36 -10.399 1.413 -3.355 1.00 2.00 N ATOM 0 H ARG A 36 -6.835 -0.140 1.801 1.00 2.00 H new ATOM 0 HA ARG A 36 -4.269 0.132 0.157 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -6.542 -0.914 -0.455 1.00 2.00 H new ATOM 0 HB3 ARG A 36 -7.214 0.692 -0.254 1.00 2.00 H new ATOM 0 HG2 ARG A 36 -5.875 1.541 -2.102 1.00 2.00 H new ATOM 0 HG3 ARG A 36 -5.036 0.010 -2.250 1.00 2.00 H new ATOM 0 HD2 ARG A 36 -6.662 0.042 -4.016 1.00 2.00 H new ATOM 0 HD3 ARG A 36 -7.290 -1.072 -2.817 1.00 2.00 H new ATOM 0 HE ARG A 36 -8.316 1.511 -2.166 1.00 2.00 H new ATOM 0 HH11 ARG A 36 -8.689 -0.729 -4.913 1.00 2.00 H new ATOM 0 HH12 ARG A 36 -10.341 -0.171 -5.202 1.00 2.00 H new ATOM 0 HH21 ARG A 36 -10.355 2.055 -2.563 1.00 2.00 H new ATOM 0 HH22 ARG A 36 -11.249 1.351 -3.915 1.00 2.00 H new ATOM 584 N GLY A 37 -3.684 2.125 1.680 1.00 2.00 N ATOM 585 CA GLY A 37 -3.166 3.469 2.101 1.00 2.00 C ATOM 586 C GLY A 37 -2.006 4.203 1.382 1.00 2.00 C ATOM 587 O GLY A 37 -1.900 4.161 0.160 1.00 2.00 O ATOM 0 H GLY A 37 -3.123 1.347 2.027 1.00 2.00 H new ATOM 0 HA2 GLY A 37 -4.019 4.147 2.078 1.00 2.00 H new ATOM 0 HA3 GLY A 37 -2.866 3.369 3.144 1.00 2.00 H new ATOM 591 N CYS A 38 -1.177 4.955 2.145 1.00 2.00 N ATOM 592 CA CYS A 38 -0.012 5.721 1.597 1.00 2.00 C ATOM 593 C CYS A 38 1.361 5.428 2.300 1.00 2.00 C ATOM 594 O CYS A 38 1.474 5.436 3.528 1.00 2.00 O ATOM 595 CB CYS A 38 -0.341 7.220 1.616 1.00 2.00 C ATOM 596 SG CYS A 38 -0.263 7.941 3.261 1.00 2.00 S ATOM 0 H CYS A 38 -1.289 5.053 3.154 1.00 2.00 H new ATOM 0 HA CYS A 38 0.134 5.376 0.573 1.00 2.00 H new ATOM 0 HB2 CYS A 38 0.354 7.746 0.962 1.00 2.00 H new ATOM 0 HB3 CYS A 38 -1.340 7.371 1.207 1.00 2.00 H new ATOM 601 N ILE A 39 2.414 5.201 1.498 1.00 2.00 N ATOM 602 CA ILE A 39 3.806 4.902 1.978 1.00 2.00 C ATOM 603 C ILE A 39 4.894 5.354 0.925 1.00 2.00 C ATOM 604 O ILE A 39 4.578 5.986 -0.069 1.00 2.00 O ATOM 605 CB ILE A 39 3.890 3.351 2.247 1.00 2.00 C ATOM 606 CG1 ILE A 39 5.029 2.970 3.245 1.00 2.00 C ATOM 607 CG2 ILE A 39 3.942 2.546 0.902 1.00 2.00 C ATOM 608 CD1 ILE A 39 4.719 3.279 4.720 1.00 2.00 C ATOM 0 H ILE A 39 2.339 5.216 0.481 1.00 2.00 H new ATOM 0 HA ILE A 39 4.013 5.461 2.891 1.00 2.00 H new ATOM 0 HB ILE A 39 2.970 3.057 2.752 1.00 2.00 H new ATOM 0 HG12 ILE A 39 5.239 1.905 3.147 1.00 2.00 H new ATOM 0 HG13 ILE A 39 5.937 3.501 2.959 1.00 2.00 H new ATOM 0 HG21 ILE A 39 4.000 1.479 1.118 1.00 2.00 H new ATOM 0 HG22 ILE A 39 3.043 2.750 0.321 1.00 2.00 H new ATOM 0 HG23 ILE A 39 4.820 2.848 0.331 1.00 2.00 H new ATOM 0 HD11 ILE A 39 5.565 2.982 5.340 1.00 2.00 H new ATOM 0 HD12 ILE A 39 4.541 4.348 4.838 1.00 2.00 H new ATOM 0 HD13 ILE A 39 3.831 2.727 5.029 1.00 2.00 H new ATOM 620 N ASP A 40 6.183 5.071 1.139 1.00 2.00 N ATOM 621 CA ASP A 40 7.318 5.421 0.223 1.00 2.00 C ATOM 622 C ASP A 40 8.100 4.163 -0.296 1.00 2.00 C ATOM 623 O ASP A 40 8.676 4.243 -1.381 1.00 2.00 O ATOM 624 CB ASP A 40 8.276 6.520 0.761 1.00 2.00 C ATOM 625 CG ASP A 40 8.687 6.526 2.230 1.00 2.00 C ATOM 626 OD1 ASP A 40 8.519 5.584 2.998 1.00 2.00 O ATOM 627 OD2 ASP A 40 9.229 7.724 2.593 1.00 2.00 O ATOM 0 H ASP A 40 6.494 4.577 1.975 1.00 2.00 H new ATOM 0 HA ASP A 40 6.825 5.872 -0.639 1.00 2.00 H new ATOM 0 HB2 ASP A 40 9.190 6.470 0.170 1.00 2.00 H new ATOM 0 HB3 ASP A 40 7.813 7.484 0.551 1.00 2.00 H new ATOM 633 N VAL A 41 8.117 3.023 0.422 1.00 2.00 N ATOM 634 CA VAL A 41 8.835 1.770 0.003 1.00 2.00 C ATOM 635 C VAL A 41 7.988 0.463 0.249 1.00 2.00 C ATOM 636 O VAL A 41 8.540 -0.624 0.088 1.00 2.00 O ATOM 637 CB VAL A 41 10.247 1.767 0.748 1.00 2.00 C ATOM 638 CG1 VAL A 41 11.186 0.577 0.421 1.00 2.00 C ATOM 639 CG2 VAL A 41 11.144 3.018 0.518 1.00 2.00 C ATOM 0 H VAL A 41 7.635 2.929 1.316 1.00 2.00 H new ATOM 0 HA VAL A 41 8.991 1.767 -1.076 1.00 2.00 H new ATOM 0 HB VAL A 41 9.878 1.720 1.772 1.00 2.00 H new ATOM 0 HG11 VAL A 41 12.114 0.680 0.984 1.00 2.00 H new ATOM 0 HG12 VAL A 41 10.698 -0.358 0.695 1.00 2.00 H new ATOM 0 HG13 VAL A 41 11.408 0.571 -0.646 1.00 2.00 H new ATOM 0 HG21 VAL A 41 12.076 2.905 1.072 1.00 2.00 H new ATOM 0 HG22 VAL A 41 11.364 3.118 -0.545 1.00 2.00 H new ATOM 0 HG23 VAL A 41 10.621 3.909 0.865 1.00 2.00 H new ATOM 649 N CYS A 42 6.632 0.493 0.472 1.00 2.00 N ATOM 650 CA CYS A 42 5.776 -0.735 0.736 1.00 2.00 C ATOM 651 C CYS A 42 6.139 -0.841 2.301 1.00 2.00 C ATOM 652 O CYS A 42 7.318 -1.069 2.597 1.00 2.00 O ATOM 653 CB CYS A 42 5.970 -1.868 -0.302 1.00 2.00 C ATOM 654 SG CYS A 42 6.236 -1.143 -1.957 1.00 2.00 S ATOM 0 H CYS A 42 6.097 1.361 0.475 1.00 2.00 H new ATOM 0 HA CYS A 42 4.697 -0.747 0.585 1.00 2.00 H new ATOM 0 HB2 CYS A 42 6.823 -2.488 -0.024 1.00 2.00 H new ATOM 0 HB3 CYS A 42 5.095 -2.517 -0.315 1.00 2.00 H new ATOM 659 N PRO A 43 5.274 -0.620 3.348 1.00 2.00 N ATOM 660 CA PRO A 43 5.681 -0.706 4.783 1.00 2.00 C ATOM 661 C PRO A 43 6.916 -1.496 5.319 1.00 2.00 C ATOM 662 O PRO A 43 7.934 -0.911 5.685 1.00 2.00 O ATOM 663 CB PRO A 43 4.358 -0.849 5.557 1.00 2.00 C ATOM 664 CG PRO A 43 3.275 -0.287 4.640 1.00 2.00 C ATOM 665 CD PRO A 43 3.830 -0.341 3.215 1.00 2.00 C ATOM 0 HA PRO A 43 6.252 0.202 4.975 1.00 2.00 H new ATOM 0 HB2 PRO A 43 4.160 -1.892 5.802 1.00 2.00 H new ATOM 0 HB3 PRO A 43 4.395 -0.302 6.499 1.00 2.00 H new ATOM 0 HG2 PRO A 43 2.359 -0.872 4.720 1.00 2.00 H new ATOM 0 HG3 PRO A 43 3.025 0.737 4.919 1.00 2.00 H new ATOM 0 HD2 PRO A 43 3.335 -1.118 2.633 1.00 2.00 H new ATOM 0 HD3 PRO A 43 3.662 0.602 2.695 1.00 2.00 H new ATOM 673 N LYS A 44 6.760 -2.806 5.355 1.00 2.00 N ATOM 674 CA LYS A 44 7.761 -3.804 5.812 1.00 2.00 C ATOM 675 C LYS A 44 6.948 -5.121 5.589 1.00 2.00 C ATOM 676 O LYS A 44 6.015 -5.428 6.344 1.00 2.00 O ATOM 677 CB LYS A 44 8.255 -3.697 7.286 1.00 2.00 C ATOM 678 CG LYS A 44 9.422 -2.703 7.527 1.00 2.00 C ATOM 679 CD LYS A 44 10.544 -3.216 8.459 1.00 2.00 C ATOM 680 CE LYS A 44 11.502 -4.253 7.836 1.00 2.00 C ATOM 681 NZ LYS A 44 12.362 -3.642 6.797 1.00 2.00 N ATOM 0 H LYS A 44 5.891 -3.246 5.054 1.00 2.00 H new ATOM 0 HA LYS A 44 8.705 -3.694 5.278 1.00 2.00 H new ATOM 0 HB2 LYS A 44 7.414 -3.402 7.913 1.00 2.00 H new ATOM 0 HB3 LYS A 44 8.568 -4.686 7.619 1.00 2.00 H new ATOM 0 HG2 LYS A 44 9.862 -2.444 6.564 1.00 2.00 H new ATOM 0 HG3 LYS A 44 9.014 -1.784 7.948 1.00 2.00 H new ATOM 0 HD2 LYS A 44 11.131 -2.362 8.797 1.00 2.00 H new ATOM 0 HD3 LYS A 44 10.085 -3.657 9.344 1.00 2.00 H new ATOM 0 HE2 LYS A 44 12.126 -4.688 8.616 1.00 2.00 H new ATOM 0 HE3 LYS A 44 10.924 -5.067 7.399 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 13.039 -4.349 6.447 1.00 2.00 H new ATOM 0 HZ2 LYS A 44 11.771 -3.309 6.009 1.00 2.00 H new ATOM 0 HZ3 LYS A 44 12.881 -2.838 7.204 1.00 2.00 H new ATOM 694 N ASN A 45 7.213 -5.865 4.504 1.00 2.00 N ATOM 695 CA ASN A 45 6.478 -7.132 4.219 1.00 2.00 C ATOM 696 C ASN A 45 6.878 -8.336 5.134 1.00 2.00 C ATOM 697 O ASN A 45 8.049 -8.529 5.471 1.00 2.00 O ATOM 698 CB ASN A 45 6.571 -7.460 2.702 1.00 2.00 C ATOM 699 CG ASN A 45 7.956 -7.685 2.087 1.00 2.00 C ATOM 700 OD1 ASN A 45 8.564 -6.780 1.535 1.00 2.00 O ATOM 701 ND2 ASN A 45 8.498 -8.873 2.149 1.00 2.00 N ATOM 0 H ASN A 45 7.920 -5.625 3.810 1.00 2.00 H new ATOM 0 HA ASN A 45 5.433 -6.962 4.477 1.00 2.00 H new ATOM 0 HB2 ASN A 45 5.978 -8.356 2.519 1.00 2.00 H new ATOM 0 HB3 ASN A 45 6.094 -6.645 2.157 1.00 2.00 H new ATOM 0 HD21 ASN A 45 9.418 -9.036 1.739 1.00 2.00 H new ATOM 0 HD22 ASN A 45 8.001 -9.637 2.607 1.00 2.00 H new ATOM 708 N SER A 46 5.883 -9.125 5.557 1.00 2.00 N ATOM 709 CA SER A 46 6.102 -10.311 6.432 1.00 2.00 C ATOM 710 C SER A 46 5.072 -11.458 6.171 1.00 2.00 C ATOM 711 O SER A 46 4.290 -11.404 5.218 1.00 2.00 O ATOM 712 CB SER A 46 6.149 -9.793 7.903 1.00 2.00 C ATOM 713 OG SER A 46 6.606 -10.810 8.799 1.00 2.00 O ATOM 0 H SER A 46 4.905 -8.971 5.311 1.00 2.00 H new ATOM 0 HA SER A 46 7.052 -10.794 6.201 1.00 2.00 H new ATOM 0 HB2 SER A 46 6.809 -8.928 7.965 1.00 2.00 H new ATOM 0 HB3 SER A 46 5.156 -9.459 8.205 1.00 2.00 H new ATOM 0 HG SER A 46 6.627 -10.456 9.713 1.00 2.00 H new ATOM 719 N LEU A 47 5.076 -12.535 6.988 1.00 2.00 N ATOM 720 CA LEU A 47 4.118 -13.688 6.826 1.00 2.00 C ATOM 721 C LEU A 47 2.573 -13.339 6.879 1.00 2.00 C ATOM 722 O LEU A 47 1.712 -14.140 6.516 1.00 2.00 O ATOM 723 CB LEU A 47 4.555 -14.866 7.748 1.00 2.00 C ATOM 724 CG LEU A 47 4.653 -14.679 9.291 1.00 2.00 C ATOM 725 CD1 LEU A 47 3.295 -14.454 9.976 1.00 2.00 C ATOM 726 CD2 LEU A 47 5.300 -15.924 9.922 1.00 2.00 C ATOM 0 H LEU A 47 5.724 -12.644 7.768 1.00 2.00 H new ATOM 0 HA LEU A 47 4.202 -14.012 5.789 1.00 2.00 H new ATOM 0 HB2 LEU A 47 3.861 -15.687 7.569 1.00 2.00 H new ATOM 0 HB3 LEU A 47 5.535 -15.196 7.403 1.00 2.00 H new ATOM 0 HG LEU A 47 5.254 -13.783 9.446 1.00 2.00 H new ATOM 0 HD11 LEU A 47 3.444 -14.332 11.049 1.00 2.00 H new ATOM 0 HD12 LEU A 47 2.827 -13.557 9.571 1.00 2.00 H new ATOM 0 HD13 LEU A 47 2.649 -15.313 9.795 1.00 2.00 H new ATOM 0 HD21 LEU A 47 5.368 -15.791 11.002 1.00 2.00 H new ATOM 0 HD22 LEU A 47 4.692 -16.801 9.702 1.00 2.00 H new ATOM 0 HD23 LEU A 47 6.300 -16.063 9.510 1.00 2.00 H new ATOM 738 N LEU A 48 2.261 -12.136 7.372 1.00 2.00 N ATOM 739 CA LEU A 48 0.905 -11.570 7.515 1.00 2.00 C ATOM 740 C LEU A 48 0.526 -10.627 6.307 1.00 2.00 C ATOM 741 O LEU A 48 -0.661 -10.482 6.000 1.00 2.00 O ATOM 742 CB LEU A 48 0.944 -10.750 8.842 1.00 2.00 C ATOM 743 CG LEU A 48 -0.426 -10.243 9.366 1.00 2.00 C ATOM 744 CD1 LEU A 48 -1.145 -11.327 10.184 1.00 2.00 C ATOM 745 CD2 LEU A 48 -0.250 -8.981 10.225 1.00 2.00 C ATOM 0 H LEU A 48 2.981 -11.493 7.701 1.00 2.00 H new ATOM 0 HA LEU A 48 0.154 -12.360 7.527 1.00 2.00 H new ATOM 0 HB2 LEU A 48 1.401 -11.368 9.615 1.00 2.00 H new ATOM 0 HB3 LEU A 48 1.596 -9.889 8.695 1.00 2.00 H new ATOM 0 HG LEU A 48 -1.037 -10.000 8.497 1.00 2.00 H new ATOM 0 HD11 LEU A 48 -2.101 -10.942 10.537 1.00 2.00 H new ATOM 0 HD12 LEU A 48 -1.316 -12.202 9.557 1.00 2.00 H new ATOM 0 HD13 LEU A 48 -0.529 -11.607 11.038 1.00 2.00 H new ATOM 0 HD21 LEU A 48 -1.224 -8.644 10.581 1.00 2.00 H new ATOM 0 HD22 LEU A 48 0.390 -9.208 11.078 1.00 2.00 H new ATOM 0 HD23 LEU A 48 0.209 -8.194 9.626 1.00 2.00 H new ATOM 757 N VAL A 49 1.503 -9.982 5.615 1.00 2.00 N ATOM 758 CA VAL A 49 1.233 -9.067 4.470 1.00 2.00 C ATOM 759 C VAL A 49 2.351 -8.860 3.375 1.00 2.00 C ATOM 760 O VAL A 49 3.556 -8.829 3.636 1.00 2.00 O ATOM 761 CB VAL A 49 0.859 -7.700 5.167 1.00 2.00 C ATOM 762 CG1 VAL A 49 2.005 -6.995 5.938 1.00 2.00 C ATOM 763 CG2 VAL A 49 0.213 -6.686 4.222 1.00 2.00 C ATOM 0 H VAL A 49 2.495 -10.080 5.833 1.00 2.00 H new ATOM 0 HA VAL A 49 0.456 -9.523 3.856 1.00 2.00 H new ATOM 0 HB VAL A 49 0.131 -8.032 5.907 1.00 2.00 H new ATOM 0 HG11 VAL A 49 1.633 -6.068 6.374 1.00 2.00 H new ATOM 0 HG12 VAL A 49 2.367 -7.650 6.731 1.00 2.00 H new ATOM 0 HG13 VAL A 49 2.821 -6.771 5.251 1.00 2.00 H new ATOM 0 HG21 VAL A 49 -0.016 -5.772 4.770 1.00 2.00 H new ATOM 0 HG22 VAL A 49 0.901 -6.458 3.408 1.00 2.00 H new ATOM 0 HG23 VAL A 49 -0.707 -7.104 3.813 1.00 2.00 H new ATOM 773 N LYS A 50 1.877 -8.655 2.139 1.00 2.00 N ATOM 774 CA LYS A 50 2.684 -8.420 0.910 1.00 2.00 C ATOM 775 C LYS A 50 1.961 -7.170 0.288 1.00 2.00 C ATOM 776 O LYS A 50 0.786 -7.255 -0.058 1.00 2.00 O ATOM 777 CB LYS A 50 2.665 -9.669 0.000 1.00 2.00 C ATOM 778 CG LYS A 50 3.709 -9.629 -1.146 1.00 2.00 C ATOM 779 CD LYS A 50 3.316 -10.497 -2.360 1.00 2.00 C ATOM 780 CE LYS A 50 2.385 -9.752 -3.332 1.00 2.00 C ATOM 781 NZ LYS A 50 1.926 -10.676 -4.387 1.00 2.00 N ATOM 0 H LYS A 50 0.875 -8.646 1.948 1.00 2.00 H new ATOM 0 HA LYS A 50 3.746 -8.241 1.077 1.00 2.00 H new ATOM 0 HB2 LYS A 50 2.844 -10.554 0.611 1.00 2.00 H new ATOM 0 HB3 LYS A 50 1.670 -9.776 -0.432 1.00 2.00 H new ATOM 0 HG2 LYS A 50 3.840 -8.597 -1.473 1.00 2.00 H new ATOM 0 HG3 LYS A 50 4.672 -9.967 -0.763 1.00 2.00 H new ATOM 0 HD2 LYS A 50 4.217 -10.807 -2.889 1.00 2.00 H new ATOM 0 HD3 LYS A 50 2.823 -11.404 -2.011 1.00 2.00 H new ATOM 0 HE2 LYS A 50 1.529 -9.347 -2.792 1.00 2.00 H new ATOM 0 HE3 LYS A 50 2.910 -8.907 -3.778 1.00 2.00 H new ATOM 0 HZ1 LYS A 50 1.297 -10.170 -5.042 1.00 2.00 H new ATOM 0 HZ2 LYS A 50 2.747 -11.042 -4.909 1.00 2.00 H new ATOM 0 HZ3 LYS A 50 1.410 -11.468 -3.954 1.00 2.00 H new ATOM 794 N TYR A 51 2.607 -6.017 0.071 1.00 2.00 N ATOM 795 CA TYR A 51 1.914 -4.813 -0.510 1.00 2.00 C ATOM 796 C TYR A 51 2.170 -4.486 -2.018 1.00 2.00 C ATOM 797 O TYR A 51 3.313 -4.437 -2.479 1.00 2.00 O ATOM 798 CB TYR A 51 2.222 -3.505 0.307 1.00 2.00 C ATOM 799 CG TYR A 51 2.587 -3.613 1.797 1.00 2.00 C ATOM 800 CD1 TYR A 51 3.891 -3.987 2.134 1.00 2.00 C ATOM 801 CD2 TYR A 51 1.647 -3.418 2.811 1.00 2.00 C ATOM 802 CE1 TYR A 51 4.230 -4.212 3.457 1.00 2.00 C ATOM 803 CE2 TYR A 51 2.002 -3.634 4.144 1.00 2.00 C ATOM 804 CZ TYR A 51 3.288 -4.053 4.463 1.00 2.00 C ATOM 805 OH TYR A 51 3.617 -4.279 5.773 1.00 2.00 O ATOM 0 H TYR A 51 3.595 -5.872 0.279 1.00 2.00 H new ATOM 0 HA TYR A 51 0.871 -5.120 -0.435 1.00 2.00 H new ATOM 0 HB2 TYR A 51 3.043 -2.992 -0.194 1.00 2.00 H new ATOM 0 HB3 TYR A 51 1.348 -2.858 0.231 1.00 2.00 H new ATOM 0 HD1 TYR A 51 4.636 -4.101 1.360 1.00 2.00 H new ATOM 0 HD2 TYR A 51 0.645 -3.100 2.564 1.00 2.00 H new ATOM 0 HE1 TYR A 51 5.236 -4.514 3.708 1.00 2.00 H new ATOM 0 HE2 TYR A 51 1.276 -3.475 4.928 1.00 2.00 H new ATOM 0 HH TYR A 51 4.516 -4.666 5.822 1.00 2.00 H new ATOM 815 N VAL A 52 1.094 -4.167 -2.756 1.00 2.00 N ATOM 816 CA VAL A 52 1.162 -3.819 -4.209 1.00 2.00 C ATOM 817 C VAL A 52 1.043 -2.249 -4.231 1.00 2.00 C ATOM 818 O VAL A 52 -0.030 -1.647 -4.162 1.00 2.00 O ATOM 819 CB VAL A 52 0.117 -4.652 -5.023 1.00 2.00 C ATOM 820 CG1 VAL A 52 -0.162 -4.111 -6.442 1.00 2.00 C ATOM 821 CG2 VAL A 52 0.589 -6.118 -5.181 1.00 2.00 C ATOM 0 H VAL A 52 0.148 -4.139 -2.375 1.00 2.00 H new ATOM 0 HA VAL A 52 2.085 -4.091 -4.721 1.00 2.00 H new ATOM 0 HB VAL A 52 -0.802 -4.578 -4.442 1.00 2.00 H new ATOM 0 HG11 VAL A 52 -0.897 -4.747 -6.936 1.00 2.00 H new ATOM 0 HG12 VAL A 52 -0.549 -3.094 -6.374 1.00 2.00 H new ATOM 0 HG13 VAL A 52 0.763 -4.110 -7.019 1.00 2.00 H new ATOM 0 HG21 VAL A 52 -0.152 -6.680 -5.750 1.00 2.00 H new ATOM 0 HG22 VAL A 52 1.543 -6.138 -5.708 1.00 2.00 H new ATOM 0 HG23 VAL A 52 0.709 -6.570 -4.196 1.00 2.00 H new ATOM 831 N CYS A 53 2.196 -1.590 -4.316 1.00 2.00 N ATOM 832 CA CYS A 53 2.346 -0.119 -4.339 1.00 2.00 C ATOM 833 C CYS A 53 2.574 0.628 -5.708 1.00 2.00 C ATOM 834 O CYS A 53 3.440 0.262 -6.504 1.00 2.00 O ATOM 835 CB CYS A 53 3.527 0.037 -3.318 1.00 2.00 C ATOM 836 SG CYS A 53 4.711 -1.371 -3.249 1.00 2.00 S ATOM 0 H CYS A 53 3.091 -2.075 -4.373 1.00 2.00 H new ATOM 0 HA CYS A 53 1.406 0.379 -4.100 1.00 2.00 H new ATOM 0 HB2 CYS A 53 4.081 0.942 -3.566 1.00 2.00 H new ATOM 0 HB3 CYS A 53 3.106 0.184 -2.323 1.00 2.00 H new ATOM 841 N CYS A 54 1.812 1.721 -5.946 1.00 2.00 N ATOM 842 CA CYS A 54 1.892 2.553 -7.186 1.00 2.00 C ATOM 843 C CYS A 54 2.347 4.016 -6.833 1.00 2.00 C ATOM 844 O CYS A 54 1.673 4.724 -6.082 1.00 2.00 O ATOM 845 CB CYS A 54 0.503 2.486 -7.847 1.00 2.00 C ATOM 846 SG CYS A 54 0.491 3.468 -9.358 1.00 2.00 S ATOM 0 H CYS A 54 1.116 2.059 -5.282 1.00 2.00 H new ATOM 0 HA CYS A 54 2.640 2.182 -7.887 1.00 2.00 H new ATOM 0 HB2 CYS A 54 0.249 1.451 -8.074 1.00 2.00 H new ATOM 0 HB3 CYS A 54 -0.255 2.856 -7.157 1.00 2.00 H new ATOM 851 N ASN A 55 3.426 4.518 -7.456 1.00 2.00 N ATOM 852 CA ASN A 55 3.984 5.892 -7.211 1.00 2.00 C ATOM 853 C ASN A 55 3.246 7.233 -7.601 1.00 2.00 C ATOM 854 O ASN A 55 3.861 8.125 -8.197 1.00 2.00 O ATOM 855 CB ASN A 55 5.444 5.811 -7.771 1.00 2.00 C ATOM 856 CG ASN A 55 6.455 6.616 -6.958 1.00 2.00 C ATOM 857 OD1 ASN A 55 6.884 6.204 -5.890 1.00 2.00 O ATOM 858 ND2 ASN A 55 6.852 7.777 -7.400 1.00 2.00 N ATOM 0 H ASN A 55 3.952 3.991 -8.153 1.00 2.00 H new ATOM 0 HA ASN A 55 3.853 6.055 -6.141 1.00 2.00 H new ATOM 0 HB2 ASN A 55 5.758 4.767 -7.795 1.00 2.00 H new ATOM 0 HB3 ASN A 55 5.450 6.169 -8.800 1.00 2.00 H new ATOM 0 HD21 ASN A 55 7.514 8.331 -6.856 1.00 2.00 H new ATOM 0 HD22 ASN A 55 6.501 8.131 -8.290 1.00 2.00 H new ATOM 865 N THR A 56 1.959 7.425 -7.260 1.00 2.00 N ATOM 866 CA THR A 56 1.200 8.679 -7.593 1.00 2.00 C ATOM 867 C THR A 56 -0.120 8.853 -6.749 1.00 2.00 C ATOM 868 O THR A 56 -0.558 7.987 -5.985 1.00 2.00 O ATOM 869 CB THR A 56 1.064 8.952 -9.140 1.00 2.00 C ATOM 870 OG1 THR A 56 0.681 10.302 -9.381 1.00 2.00 O ATOM 871 CG2 THR A 56 0.080 8.080 -9.920 1.00 2.00 C ATOM 0 H THR A 56 1.407 6.734 -6.752 1.00 2.00 H new ATOM 0 HA THR A 56 1.828 9.504 -7.257 1.00 2.00 H new ATOM 0 HB THR A 56 2.061 8.705 -9.504 1.00 2.00 H new ATOM 0 HG1 THR A 56 0.603 10.453 -10.346 1.00 2.00 H new ATOM 0 HG21 THR A 56 0.086 8.374 -10.970 1.00 2.00 H new ATOM 0 HG22 THR A 56 0.374 7.034 -9.834 1.00 2.00 H new ATOM 0 HG23 THR A 56 -0.923 8.210 -9.513 1.00 2.00 H new ATOM 879 N ASP A 57 -0.743 10.037 -6.866 1.00 2.00 N ATOM 880 CA ASP A 57 -1.999 10.405 -6.152 1.00 2.00 C ATOM 881 C ASP A 57 -3.297 9.666 -6.635 1.00 2.00 C ATOM 882 O ASP A 57 -3.851 9.966 -7.698 1.00 2.00 O ATOM 883 CB ASP A 57 -2.151 11.951 -6.271 1.00 2.00 C ATOM 884 CG ASP A 57 -1.150 12.786 -5.466 1.00 2.00 C ATOM 885 OD1 ASP A 57 -1.232 12.948 -4.253 1.00 2.00 O ATOM 886 OD2 ASP A 57 -0.163 13.319 -6.242 1.00 2.00 O ATOM 0 H ASP A 57 -0.391 10.784 -7.466 1.00 2.00 H new ATOM 0 HA ASP A 57 -1.901 10.076 -5.118 1.00 2.00 H new ATOM 0 HB2 ASP A 57 -2.061 12.226 -7.322 1.00 2.00 H new ATOM 0 HB3 ASP A 57 -3.158 12.223 -5.955 1.00 2.00 H new ATOM 892 N ARG A 58 -3.788 8.733 -5.803 1.00 2.00 N ATOM 893 CA ARG A 58 -5.014 7.897 -6.037 1.00 2.00 C ATOM 894 C ARG A 58 -4.856 6.677 -7.020 1.00 2.00 C ATOM 895 O ARG A 58 -5.859 6.077 -7.414 1.00 2.00 O ATOM 896 CB ARG A 58 -6.285 8.757 -6.316 1.00 2.00 C ATOM 897 CG ARG A 58 -6.622 9.873 -5.281 1.00 2.00 C ATOM 898 CD ARG A 58 -7.610 10.937 -5.796 1.00 2.00 C ATOM 899 NE ARG A 58 -6.947 11.714 -6.886 1.00 2.00 N ATOM 900 CZ ARG A 58 -7.522 12.625 -7.654 1.00 2.00 C ATOM 901 NH1 ARG A 58 -8.730 13.074 -7.461 1.00 2.00 N ATOM 902 NH2 ARG A 58 -6.840 13.092 -8.649 1.00 2.00 N ATOM 0 H ARG A 58 -3.338 8.520 -4.913 1.00 2.00 H new ATOM 0 HA ARG A 58 -5.165 7.403 -5.077 1.00 2.00 H new ATOM 0 HB2 ARG A 58 -6.170 9.225 -7.294 1.00 2.00 H new ATOM 0 HB3 ARG A 58 -7.141 8.086 -6.382 1.00 2.00 H new ATOM 0 HG2 ARG A 58 -7.039 9.409 -4.387 1.00 2.00 H new ATOM 0 HG3 ARG A 58 -5.697 10.367 -4.982 1.00 2.00 H new ATOM 0 HD2 ARG A 58 -8.518 10.462 -6.168 1.00 2.00 H new ATOM 0 HD3 ARG A 58 -7.908 11.601 -4.985 1.00 2.00 H new ATOM 0 HE ARG A 58 -5.959 11.525 -7.054 1.00 2.00 H new ATOM 0 HH11 ARG A 58 -9.287 12.722 -6.682 1.00 2.00 H new ATOM 0 HH12 ARG A 58 -9.119 13.778 -8.089 1.00 2.00 H new ATOM 0 HH21 ARG A 58 -5.892 12.757 -8.820 1.00 2.00 H new ATOM 0 HH22 ARG A 58 -7.250 13.796 -9.263 1.00 2.00 H new ATOM 916 N CYS A 59 -3.625 6.274 -7.387 1.00 2.00 N ATOM 917 CA CYS A 59 -3.381 5.125 -8.309 1.00 2.00 C ATOM 918 C CYS A 59 -3.712 3.681 -7.767 1.00 2.00 C ATOM 919 O CYS A 59 -3.739 2.718 -8.536 1.00 2.00 O ATOM 920 CB CYS A 59 -1.919 5.284 -8.757 1.00 2.00 C ATOM 921 SG CYS A 59 -1.404 3.911 -9.808 1.00 2.00 S ATOM 0 H CYS A 59 -2.770 6.725 -7.061 1.00 2.00 H new ATOM 0 HA CYS A 59 -4.092 5.177 -9.133 1.00 2.00 H new ATOM 0 HB2 CYS A 59 -1.802 6.223 -9.298 1.00 2.00 H new ATOM 0 HB3 CYS A 59 -1.272 5.338 -7.882 1.00 2.00 H new ATOM 926 N ASN A 60 -3.979 3.527 -6.462 1.00 2.00 N ATOM 927 CA ASN A 60 -4.305 2.235 -5.822 1.00 2.00 C ATOM 928 C ASN A 60 -5.765 1.751 -6.091 1.00 2.00 C ATOM 929 O ASN A 60 -6.784 2.251 -5.614 1.00 2.00 O ATOM 930 CB ASN A 60 -3.895 2.329 -4.332 1.00 2.00 C ATOM 931 CG ASN A 60 -4.510 3.410 -3.426 1.00 2.00 C ATOM 932 OD1 ASN A 60 -5.346 4.229 -3.792 1.00 2.00 O ATOM 933 ND2 ASN A 60 -4.074 3.468 -2.200 1.00 2.00 N ATOM 934 OXT ASN A 60 -5.802 0.668 -6.920 1.00 0.00 O ATOM 0 H ASN A 60 -3.976 4.308 -5.806 1.00 2.00 H new ATOM 0 HA ASN A 60 -3.727 1.432 -6.281 1.00 2.00 H new ATOM 0 HB2 ASN A 60 -4.112 1.363 -3.876 1.00 2.00 H new ATOM 0 HB3 ASN A 60 -2.813 2.460 -4.302 1.00 2.00 H new ATOM 0 HD21 ASN A 60 -4.428 4.184 -1.566 1.00 2.00 H new ATOM 0 HD22 ASN A 60 -3.379 2.797 -1.874 1.00 2.00 H new TER 942 ASN A 60