USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 623 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 25 TYR OH : rot 9:sc= 0.297 USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 64 SER OG : rot 180:sc= -1.33! USER MOD Single : A 1 MET CE :methyl -131:sc= -0.47 (180deg=-4.24!) USER MOD Single : A 1 MET N :NH3+ -120:sc= 1.18 (180deg=-0.458!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.349 K(o=-0.35,f=-3.3!) USER MOD Single : A 15 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0512 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.32 K(o=-3.3,f=-4.8!) USER MOD Single : A 37 ASN : amide:sc= -0.0469 X(o=-0.047,f=-0.4) USER MOD Single : A 38 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.189) USER MOD Single : A 42 MET CE :methyl -172:sc= -0.496 (180deg=-0.602) USER MOD Single : A 44 ASN : amide:sc= -0.416 X(o=-0.42,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= -0.0159 (180deg=-0.266) USER MOD Single : A 67 TYR OH : rot -125:sc= 0.579 USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.426) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -109:sc= -1.36 (180deg=-3.29!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.500 -10.282 8.584 1.00 0.00 N ATOM 2 CA MET A 1 -11.103 -10.671 8.683 1.00 0.00 C ATOM 3 C MET A 1 -10.490 -10.182 9.996 1.00 0.00 C ATOM 4 O MET A 1 -11.195 -9.663 10.859 1.00 0.00 O ATOM 5 CB MET A 1 -10.324 -10.082 7.505 1.00 0.00 C ATOM 6 CG MET A 1 -10.435 -8.556 7.483 1.00 0.00 C ATOM 7 SD MET A 1 -11.984 -8.067 6.742 1.00 0.00 S ATOM 8 CE MET A 1 -12.000 -6.335 7.174 1.00 0.00 C ATOM 0 H1 MET A 1 -13.092 -11.133 8.500 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.774 -9.753 9.436 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.635 -9.682 7.745 1.00 0.00 H new ATOM 0 HA MET A 1 -11.046 -11.759 8.660 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.276 -10.373 7.575 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.706 -10.492 6.570 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.368 -8.164 8.498 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.603 -8.131 6.921 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.965 -6.078 7.610 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.210 -6.133 7.897 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.835 -5.735 6.279 1.00 0.00 H new ATOM 18 N ASP A 2 -9.182 -10.366 10.106 1.00 0.00 N ATOM 19 CA ASP A 2 -8.466 -9.950 11.300 1.00 0.00 C ATOM 20 C ASP A 2 -7.503 -8.816 10.943 1.00 0.00 C ATOM 21 O ASP A 2 -6.793 -8.892 9.942 1.00 0.00 O ATOM 22 CB ASP A 2 -7.644 -11.103 11.878 1.00 0.00 C ATOM 23 CG ASP A 2 -8.167 -11.672 13.198 1.00 0.00 C ATOM 24 OD1 ASP A 2 -8.264 -10.879 14.160 1.00 0.00 O ATOM 25 OD2 ASP A 2 -8.460 -12.888 13.216 1.00 0.00 O ATOM 0 H ASP A 2 -8.600 -10.797 9.388 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.200 -9.625 12.037 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.607 -11.907 11.143 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.620 -10.760 12.028 1.00 0.00 H new ATOM 30 N ILE A 3 -7.511 -7.790 11.781 1.00 0.00 N ATOM 31 CA ILE A 3 -6.648 -6.641 11.566 1.00 0.00 C ATOM 32 C ILE A 3 -5.750 -6.448 12.790 1.00 0.00 C ATOM 33 O ILE A 3 -6.213 -6.542 13.925 1.00 0.00 O ATOM 34 CB ILE A 3 -7.478 -5.406 11.211 1.00 0.00 C ATOM 35 CG1 ILE A 3 -8.319 -5.652 9.957 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.588 -4.169 11.070 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.771 -4.331 9.331 1.00 0.00 C ATOM 0 H ILE A 3 -8.102 -7.730 12.610 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.992 -6.811 10.712 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.170 -5.213 12.030 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.738 -6.222 9.232 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.191 -6.255 10.212 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.203 -3.305 10.817 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.071 -3.984 12.011 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.855 -4.336 10.281 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.367 -4.535 8.441 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.372 -3.774 10.050 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.897 -3.741 9.055 1.00 0.00 H new ATOM 49 N LYS A 4 -4.481 -6.181 12.517 1.00 0.00 N ATOM 50 CA LYS A 4 -3.514 -5.973 13.581 1.00 0.00 C ATOM 51 C LYS A 4 -2.730 -4.688 13.308 1.00 0.00 C ATOM 52 O LYS A 4 -1.977 -4.610 12.338 1.00 0.00 O ATOM 53 CB LYS A 4 -2.629 -7.210 13.749 1.00 0.00 C ATOM 54 CG LYS A 4 -1.728 -7.410 12.529 1.00 0.00 C ATOM 55 CD LYS A 4 -1.101 -8.805 12.534 1.00 0.00 C ATOM 56 CE LYS A 4 0.397 -8.732 12.839 1.00 0.00 C ATOM 57 NZ LYS A 4 0.983 -10.090 12.884 1.00 0.00 N ATOM 0 H LYS A 4 -4.100 -6.104 11.574 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.021 -5.840 14.537 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.016 -7.104 14.644 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.254 -8.092 13.892 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.309 -7.272 11.617 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.943 -6.654 12.525 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.597 -9.428 13.278 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.256 -9.281 11.566 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.901 -8.137 12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.556 -8.229 13.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.000 -10.023 13.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.514 -10.646 13.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.848 -10.557 11.965 1.00 0.00 H new ATOM 71 N ILE A 5 -2.933 -3.712 14.181 1.00 0.00 N ATOM 72 CA ILE A 5 -2.254 -2.435 14.046 1.00 0.00 C ATOM 73 C ILE A 5 -0.752 -2.636 14.253 1.00 0.00 C ATOM 74 O ILE A 5 -0.318 -3.037 15.333 1.00 0.00 O ATOM 75 CB ILE A 5 -2.871 -1.398 14.987 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.346 -1.165 14.655 1.00 0.00 C ATOM 77 CG2 ILE A 5 -2.067 -0.096 14.972 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.190 -1.088 15.928 1.00 0.00 C ATOM 0 H ILE A 5 -3.558 -3.780 14.984 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.387 -2.038 13.040 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.828 -1.791 16.003 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.453 -0.241 14.087 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.711 -1.973 14.021 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.527 0.624 15.649 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.045 -0.296 15.294 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.055 0.313 13.962 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.234 -0.922 15.663 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.100 -2.023 16.481 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.838 -0.264 16.549 1.00 0.00 H new ATOM 90 N ILE A 6 0.002 -2.349 13.202 1.00 0.00 N ATOM 91 CA ILE A 6 1.447 -2.493 13.256 1.00 0.00 C ATOM 92 C ILE A 6 2.051 -1.280 13.966 1.00 0.00 C ATOM 93 O ILE A 6 2.533 -1.392 15.092 1.00 0.00 O ATOM 94 CB ILE A 6 2.014 -2.730 11.854 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.573 -4.089 11.307 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.536 -2.575 11.845 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.527 -5.197 11.757 1.00 0.00 C ATOM 0 H ILE A 6 -0.361 -2.017 12.308 1.00 0.00 H new ATOM 0 HA ILE A 6 1.720 -3.372 13.839 1.00 0.00 H new ATOM 0 HB ILE A 6 1.609 -1.968 11.188 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.563 -4.313 11.650 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.539 -4.053 10.218 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.913 -2.748 10.837 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.801 -1.567 12.163 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.980 -3.299 12.528 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.191 -6.152 11.354 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.531 -4.983 11.392 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.540 -5.246 12.846 1.00 0.00 H new ATOM 109 N LYS A 7 2.004 -0.148 13.279 1.00 0.00 N ATOM 110 CA LYS A 7 2.540 1.085 13.830 1.00 0.00 C ATOM 111 C LYS A 7 1.694 2.264 13.348 1.00 0.00 C ATOM 112 O LYS A 7 1.052 2.186 12.301 1.00 0.00 O ATOM 113 CB LYS A 7 4.028 1.218 13.497 1.00 0.00 C ATOM 114 CG LYS A 7 4.895 0.637 14.615 1.00 0.00 C ATOM 115 CD LYS A 7 5.618 -0.628 14.148 1.00 0.00 C ATOM 116 CE LYS A 7 7.109 -0.561 14.482 1.00 0.00 C ATOM 117 NZ LYS A 7 7.536 -1.786 15.195 1.00 0.00 N ATOM 0 H LYS A 7 1.603 -0.059 12.345 1.00 0.00 H new ATOM 0 HA LYS A 7 2.480 1.074 14.918 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.242 0.702 12.561 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.278 2.268 13.347 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.625 1.380 14.937 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.273 0.406 15.480 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.174 -1.502 14.624 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.487 -0.750 13.073 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.688 -0.446 13.566 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.311 0.315 15.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.551 -1.724 15.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.996 -1.879 16.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.362 -2.616 14.593 1.00 0.00 H new ATOM 131 N ASP A 8 1.720 3.330 14.135 1.00 0.00 N ATOM 132 CA ASP A 8 0.962 4.525 13.801 1.00 0.00 C ATOM 133 C ASP A 8 1.902 5.732 13.790 1.00 0.00 C ATOM 134 O ASP A 8 2.407 6.140 14.835 1.00 0.00 O ATOM 135 CB ASP A 8 -0.134 4.789 14.835 1.00 0.00 C ATOM 136 CG ASP A 8 -0.578 6.248 14.949 1.00 0.00 C ATOM 137 OD1 ASP A 8 -0.567 6.928 13.900 1.00 0.00 O ATOM 138 OD2 ASP A 8 -0.918 6.651 16.082 1.00 0.00 O ATOM 0 H ASP A 8 2.253 3.391 15.002 1.00 0.00 H new ATOM 0 HA ASP A 8 0.506 4.373 12.823 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.002 4.179 14.585 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.220 4.455 15.810 1.00 0.00 H new ATOM 143 N LYS A 9 2.108 6.270 12.597 1.00 0.00 N ATOM 144 CA LYS A 9 2.978 7.423 12.435 1.00 0.00 C ATOM 145 C LYS A 9 2.124 8.679 12.256 1.00 0.00 C ATOM 146 O LYS A 9 1.052 8.625 11.656 1.00 0.00 O ATOM 147 CB LYS A 9 3.974 7.188 11.297 1.00 0.00 C ATOM 148 CG LYS A 9 4.613 8.503 10.848 1.00 0.00 C ATOM 149 CD LYS A 9 6.075 8.294 10.447 1.00 0.00 C ATOM 150 CE LYS A 9 6.363 8.916 9.080 1.00 0.00 C ATOM 151 NZ LYS A 9 6.518 7.862 8.053 1.00 0.00 N ATOM 0 H LYS A 9 1.687 5.929 11.733 1.00 0.00 H new ATOM 0 HA LYS A 9 3.582 7.573 13.330 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.750 6.496 11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.465 6.720 10.454 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.056 8.913 10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.554 9.234 11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.729 8.738 11.198 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.299 7.228 10.420 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.551 9.587 8.801 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.270 9.518 9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.713 8.302 7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.308 7.238 8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.642 7.305 7.992 1.00 0.00 H new ATOM 165 N LYS A 10 2.633 9.782 12.786 1.00 0.00 N ATOM 166 CA LYS A 10 1.930 11.051 12.692 1.00 0.00 C ATOM 167 C LYS A 10 2.714 11.997 11.781 1.00 0.00 C ATOM 168 O LYS A 10 3.941 11.925 11.713 1.00 0.00 O ATOM 169 CB LYS A 10 1.664 11.620 14.087 1.00 0.00 C ATOM 170 CG LYS A 10 0.172 11.894 14.292 1.00 0.00 C ATOM 171 CD LYS A 10 -0.044 13.141 15.151 1.00 0.00 C ATOM 172 CE LYS A 10 -1.520 13.543 15.173 1.00 0.00 C ATOM 173 NZ LYS A 10 -1.687 14.868 15.811 1.00 0.00 N ATOM 0 H LYS A 10 3.523 9.823 13.282 1.00 0.00 H new ATOM 0 HA LYS A 10 0.949 10.911 12.238 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.016 10.918 14.843 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.229 12.543 14.221 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.313 12.026 13.325 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.297 11.034 14.769 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.300 12.951 16.168 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.555 13.964 14.761 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.911 13.571 14.156 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.098 12.796 15.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.695 15.126 15.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.333 14.830 16.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.151 15.581 15.276 1.00 0.00 H new ATOM 187 N ASN A 11 1.975 12.862 11.102 1.00 0.00 N ATOM 188 CA ASN A 11 2.586 13.821 10.198 1.00 0.00 C ATOM 189 C ASN A 11 1.705 15.069 10.114 1.00 0.00 C ATOM 190 O ASN A 11 0.747 15.106 9.344 1.00 0.00 O ATOM 191 CB ASN A 11 2.720 13.241 8.788 1.00 0.00 C ATOM 192 CG ASN A 11 3.642 14.104 7.925 1.00 0.00 C ATOM 193 OD1 ASN A 11 4.272 15.041 8.389 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.686 13.738 6.648 1.00 0.00 N ATOM 0 H ASN A 11 0.958 12.919 11.160 1.00 0.00 H new ATOM 0 HA ASN A 11 3.576 14.064 10.583 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.114 12.226 8.844 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.736 13.176 8.323 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.273 14.251 5.990 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.133 12.944 6.326 1.00 0.00 H new ATOM 201 N PRO A 12 2.071 16.087 10.938 1.00 0.00 N ATOM 202 CA PRO A 12 1.324 17.333 10.965 1.00 0.00 C ATOM 203 C PRO A 12 1.628 18.180 9.727 1.00 0.00 C ATOM 204 O PRO A 12 0.879 19.100 9.401 1.00 0.00 O ATOM 205 CB PRO A 12 1.734 18.010 12.263 1.00 0.00 C ATOM 206 CG PRO A 12 3.034 17.345 12.687 1.00 0.00 C ATOM 207 CD PRO A 12 3.200 16.078 11.864 1.00 0.00 C ATOM 0 HA PRO A 12 0.245 17.178 10.936 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.872 19.081 12.118 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.966 17.888 13.027 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.877 18.017 12.527 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.013 17.109 13.751 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.150 16.074 11.330 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.186 15.190 12.496 1.00 0.00 H new ATOM 215 N LEU A 13 2.728 17.840 9.072 1.00 0.00 N ATOM 216 CA LEU A 13 3.140 18.558 7.878 1.00 0.00 C ATOM 217 C LEU A 13 2.053 18.427 6.809 1.00 0.00 C ATOM 218 O LEU A 13 1.504 19.428 6.351 1.00 0.00 O ATOM 219 CB LEU A 13 4.519 18.082 7.415 1.00 0.00 C ATOM 220 CG LEU A 13 5.625 18.104 8.471 1.00 0.00 C ATOM 221 CD1 LEU A 13 6.937 17.561 7.902 1.00 0.00 C ATOM 222 CD2 LEU A 13 5.793 19.506 9.060 1.00 0.00 C ATOM 0 H LEU A 13 3.347 17.077 9.346 1.00 0.00 H new ATOM 0 HA LEU A 13 3.251 19.621 8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.423 17.063 7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.833 18.703 6.576 1.00 0.00 H new ATOM 0 HG LEU A 13 5.331 17.445 9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.707 17.588 8.673 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.792 16.533 7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.249 18.175 7.057 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.586 19.494 9.808 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.054 20.205 8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.859 19.819 9.526 1.00 0.00 H new ATOM 234 N LEU A 14 1.775 17.185 6.443 1.00 0.00 N ATOM 235 CA LEU A 14 0.764 16.910 5.436 1.00 0.00 C ATOM 236 C LEU A 14 -0.618 16.921 6.092 1.00 0.00 C ATOM 237 O LEU A 14 -1.630 17.092 5.413 1.00 0.00 O ATOM 238 CB LEU A 14 1.083 15.609 4.697 1.00 0.00 C ATOM 239 CG LEU A 14 2.480 15.513 4.081 1.00 0.00 C ATOM 240 CD1 LEU A 14 2.723 14.123 3.488 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.702 16.622 3.050 1.00 0.00 C ATOM 0 H LEU A 14 2.232 16.357 6.826 1.00 0.00 H new ATOM 0 HA LEU A 14 0.763 17.690 4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.956 14.779 5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.348 15.475 3.904 1.00 0.00 H new ATOM 0 HG LEU A 14 3.214 15.658 4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.723 14.081 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.635 13.372 4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.984 13.924 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.703 16.531 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.962 16.532 2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.599 17.594 3.533 1.00 0.00 H new ATOM 253 N ASN A 15 -0.617 16.738 7.404 1.00 0.00 N ATOM 254 CA ASN A 15 -1.859 16.726 8.159 1.00 0.00 C ATOM 255 C ASN A 15 -2.536 15.364 7.996 1.00 0.00 C ATOM 256 O ASN A 15 -3.762 15.279 7.941 1.00 0.00 O ATOM 257 CB ASN A 15 -2.824 17.798 7.650 1.00 0.00 C ATOM 258 CG ASN A 15 -3.733 18.296 8.775 1.00 0.00 C ATOM 259 OD1 ASN A 15 -4.930 18.060 8.791 1.00 0.00 O ATOM 260 ND2 ASN A 15 -3.101 18.996 9.713 1.00 0.00 N ATOM 0 H ASN A 15 0.224 16.597 7.964 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.620 16.924 9.204 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.260 18.634 7.237 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.430 17.392 6.841 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.621 19.371 10.506 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.097 19.157 9.639 1.00 0.00 H new ATOM 267 N ARG A 16 -1.708 14.332 7.922 1.00 0.00 N ATOM 268 CA ARG A 16 -2.212 12.978 7.766 1.00 0.00 C ATOM 269 C ARG A 16 -1.633 12.067 8.851 1.00 0.00 C ATOM 270 O ARG A 16 -0.969 12.539 9.773 1.00 0.00 O ATOM 271 CB ARG A 16 -1.854 12.412 6.390 1.00 0.00 C ATOM 272 CG ARG A 16 -0.363 12.079 6.305 1.00 0.00 C ATOM 273 CD ARG A 16 0.084 11.932 4.849 1.00 0.00 C ATOM 274 NE ARG A 16 1.404 11.267 4.790 1.00 0.00 N ATOM 275 CZ ARG A 16 2.026 10.931 3.652 1.00 0.00 C ATOM 276 NH1 ARG A 16 1.451 11.197 2.471 1.00 0.00 N ATOM 277 NH2 ARG A 16 3.223 10.330 3.694 1.00 0.00 N ATOM 0 H ARG A 16 -0.692 14.406 7.967 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.297 13.016 7.860 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.442 11.515 6.198 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.113 13.135 5.617 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.217 12.865 6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.162 11.154 6.846 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.650 11.351 4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.140 12.913 4.376 1.00 0.00 H new ATOM 0 HE ARG A 16 1.870 11.051 5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.540 11.655 2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.924 10.941 1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.661 10.128 4.593 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.696 10.074 2.827 1.00 0.00 H new ATOM 291 N ARG A 17 -1.905 10.779 8.704 1.00 0.00 N ATOM 292 CA ARG A 17 -1.419 9.798 9.660 1.00 0.00 C ATOM 293 C ARG A 17 -1.145 8.466 8.960 1.00 0.00 C ATOM 294 O ARG A 17 -2.061 7.839 8.430 1.00 0.00 O ATOM 295 CB ARG A 17 -2.431 9.577 10.785 1.00 0.00 C ATOM 296 CG ARG A 17 -1.739 9.556 12.150 1.00 0.00 C ATOM 297 CD ARG A 17 -2.743 9.804 13.278 1.00 0.00 C ATOM 298 NE ARG A 17 -2.849 8.601 14.133 1.00 0.00 N ATOM 299 CZ ARG A 17 -3.270 8.619 15.406 1.00 0.00 C ATOM 300 NH1 ARG A 17 -3.625 9.777 15.977 1.00 0.00 N ATOM 301 NH2 ARG A 17 -3.334 7.478 16.106 1.00 0.00 N ATOM 0 H ARG A 17 -2.456 10.392 7.938 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.494 10.183 10.090 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.180 10.368 10.765 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.957 8.636 10.626 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.250 8.593 12.299 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.960 10.317 12.178 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.427 10.659 13.876 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.719 10.051 12.860 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.585 7.702 13.729 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.575 10.645 15.444 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.945 9.791 16.945 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.063 6.597 15.670 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.654 7.491 17.074 1.00 0.00 H new ATOM 315 N GLU A 18 0.120 8.072 8.981 1.00 0.00 N ATOM 316 CA GLU A 18 0.526 6.825 8.355 1.00 0.00 C ATOM 317 C GLU A 18 0.397 5.667 9.346 1.00 0.00 C ATOM 318 O GLU A 18 1.207 5.535 10.262 1.00 0.00 O ATOM 319 CB GLU A 18 1.953 6.924 7.811 1.00 0.00 C ATOM 320 CG GLU A 18 2.131 8.186 6.964 1.00 0.00 C ATOM 321 CD GLU A 18 1.235 8.146 5.724 1.00 0.00 C ATOM 322 OE1 GLU A 18 1.447 7.230 4.901 1.00 0.00 O ATOM 323 OE2 GLU A 18 0.359 9.032 5.628 1.00 0.00 O ATOM 0 H GLU A 18 0.877 8.594 9.422 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.137 6.632 7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.662 6.935 8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.179 6.043 7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.892 9.066 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.174 8.280 6.661 1.00 0.00 H new ATOM 330 N LEU A 19 -0.628 4.856 9.128 1.00 0.00 N ATOM 331 CA LEU A 19 -0.875 3.713 9.991 1.00 0.00 C ATOM 332 C LEU A 19 -0.609 2.424 9.211 1.00 0.00 C ATOM 333 O LEU A 19 -1.045 2.284 8.069 1.00 0.00 O ATOM 334 CB LEU A 19 -2.279 3.789 10.593 1.00 0.00 C ATOM 335 CG LEU A 19 -2.731 5.171 11.070 1.00 0.00 C ATOM 336 CD1 LEU A 19 -3.972 5.636 10.306 1.00 0.00 C ATOM 337 CD2 LEU A 19 -2.952 5.183 12.584 1.00 0.00 C ATOM 0 H LEU A 19 -1.297 4.968 8.366 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.190 3.721 10.839 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.991 3.432 9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.328 3.101 11.437 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.935 5.884 10.855 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.272 6.621 10.664 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.744 5.691 9.241 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.785 4.928 10.467 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.273 6.177 12.897 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.720 4.455 12.845 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.021 4.926 13.090 1.00 0.00 H new ATOM 349 N ASP A 20 0.106 1.515 9.858 1.00 0.00 N ATOM 350 CA ASP A 20 0.435 0.242 9.239 1.00 0.00 C ATOM 351 C ASP A 20 -0.251 -0.887 10.009 1.00 0.00 C ATOM 352 O ASP A 20 -0.332 -0.847 11.236 1.00 0.00 O ATOM 353 CB ASP A 20 1.943 -0.012 9.271 1.00 0.00 C ATOM 354 CG ASP A 20 2.789 1.020 8.524 1.00 0.00 C ATOM 355 OD1 ASP A 20 2.177 1.944 7.944 1.00 0.00 O ATOM 356 OD2 ASP A 20 4.029 0.863 8.548 1.00 0.00 O ATOM 0 H ASP A 20 0.467 1.635 10.805 1.00 0.00 H new ATOM 0 HA ASP A 20 0.096 0.273 8.203 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.269 -0.043 10.311 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.139 -0.996 8.846 1.00 0.00 H new ATOM 361 N PHE A 21 -0.728 -1.869 9.258 1.00 0.00 N ATOM 362 CA PHE A 21 -1.405 -3.007 9.854 1.00 0.00 C ATOM 363 C PHE A 21 -1.358 -4.222 8.925 1.00 0.00 C ATOM 364 O PHE A 21 -0.964 -4.106 7.766 1.00 0.00 O ATOM 365 CB PHE A 21 -2.865 -2.599 10.067 1.00 0.00 C ATOM 366 CG PHE A 21 -3.604 -2.239 8.777 1.00 0.00 C ATOM 367 CD1 PHE A 21 -3.464 -0.999 8.236 1.00 0.00 C ATOM 368 CD2 PHE A 21 -4.402 -3.159 8.172 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.151 -0.665 7.039 1.00 0.00 C ATOM 370 CE2 PHE A 21 -5.089 -2.825 6.975 1.00 0.00 C ATOM 371 CZ PHE A 21 -4.949 -1.585 6.434 1.00 0.00 C ATOM 0 H PHE A 21 -0.659 -1.899 8.241 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.918 -3.280 10.790 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.392 -3.416 10.560 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.898 -1.745 10.743 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.830 -0.268 8.717 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.513 -4.144 8.602 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.040 0.320 6.609 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.723 -3.556 6.494 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.472 -1.331 5.524 1.00 0.00 H new ATOM 381 N ILE A 22 -1.767 -5.359 9.469 1.00 0.00 N ATOM 382 CA ILE A 22 -1.776 -6.594 8.703 1.00 0.00 C ATOM 383 C ILE A 22 -3.189 -7.180 8.707 1.00 0.00 C ATOM 384 O ILE A 22 -3.826 -7.269 9.756 1.00 0.00 O ATOM 385 CB ILE A 22 -0.709 -7.557 9.227 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.672 -6.899 9.226 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.719 -8.868 8.438 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.170 -6.670 7.798 1.00 0.00 C ATOM 0 H ILE A 22 -2.094 -5.451 10.431 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.514 -6.400 7.663 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.949 -7.801 10.262 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.626 -5.947 9.756 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.379 -7.529 9.765 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.049 -9.535 8.831 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.695 -9.343 8.534 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.517 -8.662 7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.154 -6.201 7.826 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.239 -7.626 7.279 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.473 -6.019 7.270 1.00 0.00 H new ATOM 400 N VAL A 23 -3.639 -7.566 7.522 1.00 0.00 N ATOM 401 CA VAL A 23 -4.965 -8.142 7.375 1.00 0.00 C ATOM 402 C VAL A 23 -4.843 -9.659 7.222 1.00 0.00 C ATOM 403 O VAL A 23 -4.165 -10.143 6.317 1.00 0.00 O ATOM 404 CB VAL A 23 -5.696 -7.479 6.206 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.179 -7.859 6.201 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.519 -5.960 6.239 1.00 0.00 C ATOM 0 H VAL A 23 -3.108 -7.491 6.654 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.565 -7.953 8.265 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.252 -7.847 5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.676 -7.375 5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.277 -8.940 6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.641 -7.533 7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.048 -5.514 5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.923 -5.567 7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.459 -5.716 6.172 1.00 0.00 H new ATOM 416 N LYS A 24 -5.512 -10.368 8.120 1.00 0.00 N ATOM 417 CA LYS A 24 -5.487 -11.820 8.096 1.00 0.00 C ATOM 418 C LYS A 24 -6.918 -12.349 7.971 1.00 0.00 C ATOM 419 O LYS A 24 -7.851 -11.757 8.512 1.00 0.00 O ATOM 420 CB LYS A 24 -4.734 -12.364 9.312 1.00 0.00 C ATOM 421 CG LYS A 24 -3.251 -12.562 8.995 1.00 0.00 C ATOM 422 CD LYS A 24 -2.430 -12.703 10.278 1.00 0.00 C ATOM 423 CE LYS A 24 -1.058 -13.314 9.987 1.00 0.00 C ATOM 424 NZ LYS A 24 -1.067 -14.767 10.268 1.00 0.00 N ATOM 0 H LYS A 24 -6.074 -9.963 8.869 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.938 -12.177 7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.842 -11.674 10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.173 -13.312 9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.123 -13.451 8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.883 -11.716 8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.305 -11.725 10.743 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.967 -13.329 10.991 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.790 -13.141 8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.299 -12.824 10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.128 -15.166 10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.302 -14.926 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.778 -15.232 9.668 1.00 0.00 H new ATOM 438 N TYR A 25 -7.046 -13.456 7.256 1.00 0.00 N ATOM 439 CA TYR A 25 -8.347 -14.071 7.054 1.00 0.00 C ATOM 440 C TYR A 25 -8.203 -15.541 6.657 1.00 0.00 C ATOM 441 O TYR A 25 -7.095 -16.017 6.415 1.00 0.00 O ATOM 442 CB TYR A 25 -9.000 -13.306 5.902 1.00 0.00 C ATOM 443 CG TYR A 25 -8.060 -13.029 4.727 1.00 0.00 C ATOM 444 CD1 TYR A 25 -7.302 -11.875 4.706 1.00 0.00 C ATOM 445 CD2 TYR A 25 -7.970 -13.932 3.687 1.00 0.00 C ATOM 446 CE1 TYR A 25 -6.418 -11.615 3.600 1.00 0.00 C ATOM 447 CE2 TYR A 25 -7.086 -13.671 2.581 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.353 -12.526 2.592 1.00 0.00 C ATOM 449 OH TYR A 25 -5.518 -12.280 1.548 1.00 0.00 O ATOM 0 H TYR A 25 -6.270 -13.944 6.809 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.937 -14.032 7.970 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.857 -13.874 5.542 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.382 -12.358 6.280 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.372 -11.168 5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.563 -14.835 3.703 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.820 -10.716 3.571 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.007 -14.369 1.761 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.956 -11.504 1.754 1.00 0.00 H new ATOM 459 N GLU A 26 -9.339 -16.220 6.603 1.00 0.00 N ATOM 460 CA GLU A 26 -9.354 -17.627 6.240 1.00 0.00 C ATOM 461 C GLU A 26 -10.437 -17.894 5.193 1.00 0.00 C ATOM 462 O GLU A 26 -11.319 -18.725 5.404 1.00 0.00 O ATOM 463 CB GLU A 26 -9.555 -18.510 7.473 1.00 0.00 C ATOM 464 CG GLU A 26 -8.211 -18.909 8.086 1.00 0.00 C ATOM 465 CD GLU A 26 -8.384 -20.051 9.089 1.00 0.00 C ATOM 466 OE1 GLU A 26 -9.286 -19.923 9.945 1.00 0.00 O ATOM 467 OE2 GLU A 26 -7.610 -21.026 8.978 1.00 0.00 O ATOM 0 H GLU A 26 -10.256 -15.822 6.805 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.386 -17.880 5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.152 -17.977 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.113 -19.405 7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.524 -19.214 7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.764 -18.048 8.583 1.00 0.00 H new ATOM 474 N GLY A 27 -10.336 -17.172 4.086 1.00 0.00 N ATOM 475 CA GLY A 27 -11.297 -17.320 3.006 1.00 0.00 C ATOM 476 C GLY A 27 -11.076 -16.258 1.927 1.00 0.00 C ATOM 477 O GLY A 27 -9.938 -15.906 1.621 1.00 0.00 O ATOM 0 H GLY A 27 -9.604 -16.483 3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.206 -18.314 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.309 -17.237 3.401 1.00 0.00 H new ATOM 481 N SER A 28 -12.183 -15.778 1.379 1.00 0.00 N ATOM 482 CA SER A 28 -12.125 -14.763 0.341 1.00 0.00 C ATOM 483 C SER A 28 -11.271 -13.583 0.809 1.00 0.00 C ATOM 484 O SER A 28 -11.057 -13.404 2.007 1.00 0.00 O ATOM 485 CB SER A 28 -13.527 -14.284 -0.041 1.00 0.00 C ATOM 486 OG SER A 28 -14.519 -15.273 0.224 1.00 0.00 O ATOM 0 H SER A 28 -13.125 -16.073 1.634 1.00 0.00 H new ATOM 0 HA SER A 28 -11.668 -15.206 -0.544 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.763 -13.376 0.513 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.546 -14.026 -1.100 1.00 0.00 H new ATOM 0 HG SER A 28 -15.400 -14.929 -0.032 1.00 0.00 H new ATOM 492 N THR A 29 -10.805 -12.809 -0.160 1.00 0.00 N ATOM 493 CA THR A 29 -9.979 -11.652 0.138 1.00 0.00 C ATOM 494 C THR A 29 -10.855 -10.436 0.446 1.00 0.00 C ATOM 495 O THR A 29 -11.817 -10.162 -0.270 1.00 0.00 O ATOM 496 CB THR A 29 -9.029 -11.433 -1.041 1.00 0.00 C ATOM 497 OG1 THR A 29 -7.903 -12.252 -0.737 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.458 -10.014 -1.077 1.00 0.00 C ATOM 0 H THR A 29 -10.984 -12.961 -1.153 1.00 0.00 H new ATOM 0 HA THR A 29 -9.378 -11.815 1.033 1.00 0.00 H new ATOM 0 HB THR A 29 -9.556 -11.637 -1.973 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.237 -12.171 -1.451 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.790 -9.912 -1.933 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.273 -9.296 -1.165 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.903 -9.822 -0.159 1.00 0.00 H new ATOM 506 N PRO A 30 -10.482 -9.721 1.541 1.00 0.00 N ATOM 507 CA PRO A 30 -11.223 -8.541 1.952 1.00 0.00 C ATOM 508 C PRO A 30 -10.922 -7.356 1.033 1.00 0.00 C ATOM 509 O PRO A 30 -9.814 -7.237 0.510 1.00 0.00 O ATOM 510 CB PRO A 30 -10.804 -8.296 3.393 1.00 0.00 C ATOM 511 CG PRO A 30 -9.506 -9.062 3.586 1.00 0.00 C ATOM 512 CD PRO A 30 -9.348 -10.016 2.413 1.00 0.00 C ATOM 0 HA PRO A 30 -12.302 -8.677 1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.661 -7.232 3.583 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.569 -8.644 4.087 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.661 -8.375 3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.524 -9.613 4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.401 -9.857 1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.361 -11.055 2.743 1.00 0.00 H new ATOM 520 N SER A 31 -11.926 -6.509 0.863 1.00 0.00 N ATOM 521 CA SER A 31 -11.783 -5.337 0.016 1.00 0.00 C ATOM 522 C SER A 31 -11.119 -4.203 0.799 1.00 0.00 C ATOM 523 O SER A 31 -10.921 -4.312 2.008 1.00 0.00 O ATOM 524 CB SER A 31 -13.138 -4.883 -0.530 1.00 0.00 C ATOM 525 OG SER A 31 -13.934 -5.982 -0.964 1.00 0.00 O ATOM 0 H SER A 31 -12.843 -6.611 1.298 1.00 0.00 H new ATOM 0 HA SER A 31 -11.151 -5.603 -0.831 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.673 -4.330 0.242 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.982 -4.197 -1.363 1.00 0.00 H new ATOM 0 HG SER A 31 -14.791 -5.651 -1.304 1.00 0.00 H new ATOM 531 N ARG A 32 -10.793 -3.140 0.078 1.00 0.00 N ATOM 532 CA ARG A 32 -10.156 -1.987 0.691 1.00 0.00 C ATOM 533 C ARG A 32 -11.151 -1.241 1.581 1.00 0.00 C ATOM 534 O ARG A 32 -10.761 -0.613 2.564 1.00 0.00 O ATOM 535 CB ARG A 32 -9.613 -1.029 -0.372 1.00 0.00 C ATOM 536 CG ARG A 32 -8.237 -1.479 -0.865 1.00 0.00 C ATOM 537 CD ARG A 32 -7.508 -0.336 -1.574 1.00 0.00 C ATOM 538 NE ARG A 32 -7.181 -0.728 -2.963 1.00 0.00 N ATOM 539 CZ ARG A 32 -6.677 0.108 -3.881 1.00 0.00 C ATOM 540 NH1 ARG A 32 -6.439 1.387 -3.563 1.00 0.00 N ATOM 541 NH2 ARG A 32 -6.411 -0.336 -5.117 1.00 0.00 N ATOM 0 H ARG A 32 -10.958 -3.053 -0.925 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.325 -2.349 1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.306 -0.981 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.544 -0.023 0.042 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.641 -1.828 -0.022 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.349 -2.322 -1.547 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.132 0.558 -1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.595 -0.085 -1.034 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.350 -1.695 -3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.641 1.725 -2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.055 2.023 -4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.592 -1.310 -5.359 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.027 0.300 -5.816 1.00 0.00 H new ATOM 555 N ASN A 33 -12.418 -1.333 1.204 1.00 0.00 N ATOM 556 CA ASN A 33 -13.473 -0.674 1.956 1.00 0.00 C ATOM 557 C ASN A 33 -13.721 -1.441 3.256 1.00 0.00 C ATOM 558 O ASN A 33 -13.863 -0.838 4.319 1.00 0.00 O ATOM 559 CB ASN A 33 -14.781 -0.650 1.164 1.00 0.00 C ATOM 560 CG ASN A 33 -15.135 -2.046 0.646 1.00 0.00 C ATOM 561 OD1 ASN A 33 -14.727 -2.460 -0.427 1.00 0.00 O ATOM 562 ND2 ASN A 33 -15.914 -2.746 1.465 1.00 0.00 N ATOM 0 H ASN A 33 -12.738 -1.854 0.388 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.155 0.349 2.158 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.587 -0.278 1.797 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.690 0.040 0.326 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.206 -3.689 1.209 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.220 -2.340 2.349 1.00 0.00 H new ATOM 569 N ASP A 34 -13.767 -2.759 3.129 1.00 0.00 N ATOM 570 CA ASP A 34 -13.996 -3.614 4.282 1.00 0.00 C ATOM 571 C ASP A 34 -12.937 -3.321 5.347 1.00 0.00 C ATOM 572 O ASP A 34 -13.271 -2.980 6.481 1.00 0.00 O ATOM 573 CB ASP A 34 -13.886 -5.092 3.901 1.00 0.00 C ATOM 574 CG ASP A 34 -15.221 -5.795 3.649 1.00 0.00 C ATOM 575 OD1 ASP A 34 -16.130 -5.117 3.123 1.00 0.00 O ATOM 576 OD2 ASP A 34 -15.304 -6.995 3.989 1.00 0.00 O ATOM 0 H ASP A 34 -13.650 -3.256 2.246 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.999 -3.411 4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.273 -5.176 3.004 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.360 -5.619 4.697 1.00 0.00 H new ATOM 581 N VAL A 35 -11.683 -3.465 4.945 1.00 0.00 N ATOM 582 CA VAL A 35 -10.574 -3.219 5.852 1.00 0.00 C ATOM 583 C VAL A 35 -10.656 -1.783 6.373 1.00 0.00 C ATOM 584 O VAL A 35 -10.311 -1.517 7.524 1.00 0.00 O ATOM 585 CB VAL A 35 -9.249 -3.527 5.152 1.00 0.00 C ATOM 586 CG1 VAL A 35 -8.061 -3.202 6.061 1.00 0.00 C ATOM 587 CG2 VAL A 35 -9.200 -4.984 4.686 1.00 0.00 C ATOM 0 H VAL A 35 -11.410 -3.749 4.004 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.632 -3.881 6.716 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.180 -2.891 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.131 -3.430 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.081 -2.144 6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.124 -3.801 6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.248 -5.176 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.302 -5.645 5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.015 -5.170 3.987 1.00 0.00 H new ATOM 597 N ARG A 36 -11.113 -0.896 5.502 1.00 0.00 N ATOM 598 CA ARG A 36 -11.244 0.506 5.860 1.00 0.00 C ATOM 599 C ARG A 36 -12.249 0.670 7.002 1.00 0.00 C ATOM 600 O ARG A 36 -11.944 1.293 8.018 1.00 0.00 O ATOM 601 CB ARG A 36 -11.701 1.340 4.662 1.00 0.00 C ATOM 602 CG ARG A 36 -10.587 2.275 4.188 1.00 0.00 C ATOM 603 CD ARG A 36 -11.167 3.560 3.592 1.00 0.00 C ATOM 604 NE ARG A 36 -10.510 3.859 2.300 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.893 4.841 1.472 1.00 0.00 C ATOM 606 NH1 ARG A 36 -11.930 5.625 1.797 1.00 0.00 N ATOM 607 NH2 ARG A 36 -10.238 5.040 0.320 1.00 0.00 N ATOM 0 H ARG A 36 -11.397 -1.121 4.549 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.264 0.860 6.181 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.998 0.680 3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.580 1.924 4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.933 2.521 5.025 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.974 1.768 3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.242 3.451 3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.022 4.390 4.284 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.716 3.282 2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.428 5.474 2.674 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.221 6.372 1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.448 4.444 0.073 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.530 5.787 -0.310 1.00 0.00 H new ATOM 621 N ASN A 37 -13.428 0.102 6.796 1.00 0.00 N ATOM 622 CA ASN A 37 -14.480 0.178 7.795 1.00 0.00 C ATOM 623 C ASN A 37 -13.984 -0.447 9.100 1.00 0.00 C ATOM 624 O ASN A 37 -14.334 0.013 10.186 1.00 0.00 O ATOM 625 CB ASN A 37 -15.724 -0.592 7.345 1.00 0.00 C ATOM 626 CG ASN A 37 -16.815 0.365 6.861 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.159 1.337 7.514 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.340 0.036 5.684 1.00 0.00 N ATOM 0 H ASN A 37 -13.678 -0.413 5.952 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.737 1.228 7.935 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.459 -1.282 6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.103 -1.193 8.172 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.077 0.611 5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.006 -0.791 5.190 1.00 0.00 H new ATOM 635 N LYS A 38 -13.176 -1.487 8.952 1.00 0.00 N ATOM 636 CA LYS A 38 -12.629 -2.180 10.106 1.00 0.00 C ATOM 637 C LYS A 38 -11.711 -1.230 10.877 1.00 0.00 C ATOM 638 O LYS A 38 -11.864 -1.059 12.086 1.00 0.00 O ATOM 639 CB LYS A 38 -11.946 -3.480 9.676 1.00 0.00 C ATOM 640 CG LYS A 38 -11.738 -4.411 10.871 1.00 0.00 C ATOM 641 CD LYS A 38 -12.457 -5.745 10.660 1.00 0.00 C ATOM 642 CE LYS A 38 -12.704 -6.452 11.994 1.00 0.00 C ATOM 643 NZ LYS A 38 -11.433 -6.620 12.734 1.00 0.00 N ATOM 0 H LYS A 38 -12.887 -1.866 8.050 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.427 -2.476 10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.552 -3.981 8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.985 -3.254 9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.672 -4.588 11.018 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.110 -3.933 11.778 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.407 -5.574 10.154 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.860 -6.385 10.010 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.407 -5.874 12.594 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.160 -7.426 11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.570 -7.298 13.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.700 -6.976 12.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.135 -5.703 13.124 1.00 0.00 H new ATOM 657 N LEU A 39 -10.778 -0.636 10.148 1.00 0.00 N ATOM 658 CA LEU A 39 -9.835 0.292 10.749 1.00 0.00 C ATOM 659 C LEU A 39 -10.598 1.496 11.306 1.00 0.00 C ATOM 660 O LEU A 39 -10.443 1.845 12.475 1.00 0.00 O ATOM 661 CB LEU A 39 -8.741 0.667 9.748 1.00 0.00 C ATOM 662 CG LEU A 39 -7.300 0.489 10.231 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.678 -0.779 9.644 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.462 1.732 9.928 1.00 0.00 C ATOM 0 H LEU A 39 -10.655 -0.779 9.146 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.320 -0.177 11.588 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.878 0.067 8.848 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.881 1.709 9.461 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.316 0.368 11.314 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.654 -0.882 10.003 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.260 -1.647 9.954 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.676 -0.713 8.556 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.442 1.579 10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.450 1.910 8.853 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.895 2.595 10.433 1.00 0.00 H new ATOM 676 N ALA A 40 -11.404 2.097 10.443 1.00 0.00 N ATOM 677 CA ALA A 40 -12.190 3.254 10.835 1.00 0.00 C ATOM 678 C ALA A 40 -12.910 2.954 12.151 1.00 0.00 C ATOM 679 O ALA A 40 -13.061 3.836 12.995 1.00 0.00 O ATOM 680 CB ALA A 40 -13.160 3.617 9.709 1.00 0.00 C ATOM 0 H ALA A 40 -11.530 1.804 9.474 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.546 4.117 11.001 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.750 4.485 10.003 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.597 3.850 8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.825 2.775 9.516 1.00 0.00 H new ATOM 686 N ALA A 41 -13.336 1.707 12.284 1.00 0.00 N ATOM 687 CA ALA A 41 -14.037 1.280 13.483 1.00 0.00 C ATOM 688 C ALA A 41 -13.033 1.121 14.627 1.00 0.00 C ATOM 689 O ALA A 41 -13.337 1.444 15.774 1.00 0.00 O ATOM 690 CB ALA A 41 -14.801 -0.014 13.194 1.00 0.00 C ATOM 0 H ALA A 41 -13.209 0.978 11.581 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.768 2.029 13.788 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.327 -0.335 14.093 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.521 0.160 12.395 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.100 -0.790 12.888 1.00 0.00 H new ATOM 696 N MET A 42 -11.857 0.624 14.274 1.00 0.00 N ATOM 697 CA MET A 42 -10.806 0.418 15.256 1.00 0.00 C ATOM 698 C MET A 42 -10.256 1.755 15.758 1.00 0.00 C ATOM 699 O MET A 42 -10.102 1.955 16.962 1.00 0.00 O ATOM 700 CB MET A 42 -9.674 -0.398 14.630 1.00 0.00 C ATOM 701 CG MET A 42 -9.993 -1.894 14.662 1.00 0.00 C ATOM 702 SD MET A 42 -8.671 -2.783 15.466 1.00 0.00 S ATOM 703 CE MET A 42 -7.508 -2.896 14.116 1.00 0.00 C ATOM 0 H MET A 42 -11.608 0.358 13.321 1.00 0.00 H new ATOM 0 HA MET A 42 -11.227 -0.122 16.104 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.517 -0.078 13.600 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.745 -0.209 15.167 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.931 -2.063 15.192 1.00 0.00 H new ATOM 0 HG3 MET A 42 -10.128 -2.267 13.647 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.681 -3.546 14.401 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.007 -3.308 13.239 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.124 -1.903 13.882 1.00 0.00 H new ATOM 713 N LEU A 43 -9.973 2.636 14.809 1.00 0.00 N ATOM 714 CA LEU A 43 -9.443 3.947 15.139 1.00 0.00 C ATOM 715 C LEU A 43 -10.603 4.917 15.373 1.00 0.00 C ATOM 716 O LEU A 43 -10.388 6.114 15.559 1.00 0.00 O ATOM 717 CB LEU A 43 -8.459 4.414 14.065 1.00 0.00 C ATOM 718 CG LEU A 43 -7.800 3.310 13.234 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.627 3.862 12.422 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.381 2.134 14.119 1.00 0.00 C ATOM 0 H LEU A 43 -10.101 2.467 13.811 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.870 3.904 16.066 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.984 5.087 13.387 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.674 4.996 14.548 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.535 2.932 12.523 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.176 3.058 11.841 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.985 4.640 11.748 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.882 4.282 13.098 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.916 1.364 13.504 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.669 2.479 14.869 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.259 1.721 14.615 1.00 0.00 H new ATOM 732 N ASN A 44 -11.807 4.365 15.357 1.00 0.00 N ATOM 733 CA ASN A 44 -13.001 5.166 15.565 1.00 0.00 C ATOM 734 C ASN A 44 -12.886 6.464 14.762 1.00 0.00 C ATOM 735 O ASN A 44 -13.319 7.521 15.219 1.00 0.00 O ATOM 736 CB ASN A 44 -13.166 5.536 17.040 1.00 0.00 C ATOM 737 CG ASN A 44 -12.943 4.318 17.939 1.00 0.00 C ATOM 738 OD1 ASN A 44 -13.865 3.614 18.315 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.669 4.110 18.262 1.00 0.00 N ATOM 0 H ASN A 44 -11.981 3.372 15.203 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.861 4.579 15.242 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.457 6.321 17.303 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -14.165 5.939 17.208 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.416 3.322 18.859 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.945 4.738 17.913 1.00 0.00 H new ATOM 746 N ALA A 45 -12.300 6.341 13.580 1.00 0.00 N ATOM 747 CA ALA A 45 -12.122 7.490 12.710 1.00 0.00 C ATOM 748 C ALA A 45 -13.048 7.356 11.499 1.00 0.00 C ATOM 749 O ALA A 45 -13.580 6.279 11.237 1.00 0.00 O ATOM 750 CB ALA A 45 -10.650 7.604 12.308 1.00 0.00 C ATOM 0 H ALA A 45 -11.942 5.463 13.205 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.390 8.410 13.230 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.517 8.467 11.655 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.037 7.727 13.201 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.346 6.700 11.781 1.00 0.00 H new ATOM 756 N PRO A 46 -13.217 8.495 10.776 1.00 0.00 N ATOM 757 CA PRO A 46 -14.070 8.515 9.599 1.00 0.00 C ATOM 758 C PRO A 46 -13.389 7.823 8.417 1.00 0.00 C ATOM 759 O PRO A 46 -12.176 7.936 8.241 1.00 0.00 O ATOM 760 CB PRO A 46 -14.353 9.986 9.344 1.00 0.00 C ATOM 761 CG PRO A 46 -13.280 10.755 10.098 1.00 0.00 C ATOM 762 CD PRO A 46 -12.603 9.789 11.057 1.00 0.00 C ATOM 0 HA PRO A 46 -14.999 7.964 9.743 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.318 10.211 8.278 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.348 10.259 9.695 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.553 11.176 9.404 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.720 11.589 10.644 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.526 9.760 10.894 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.761 10.085 12.094 1.00 0.00 H new ATOM 770 N LEU A 47 -14.198 7.123 7.636 1.00 0.00 N ATOM 771 CA LEU A 47 -13.689 6.413 6.475 1.00 0.00 C ATOM 772 C LEU A 47 -13.226 7.425 5.426 1.00 0.00 C ATOM 773 O LEU A 47 -12.119 7.319 4.901 1.00 0.00 O ATOM 774 CB LEU A 47 -14.731 5.420 5.955 1.00 0.00 C ATOM 775 CG LEU A 47 -14.181 4.131 5.340 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.188 2.991 6.359 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.941 3.765 4.064 1.00 0.00 C ATOM 0 H LEU A 47 -15.203 7.032 7.784 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.819 5.814 6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.392 5.153 6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.343 5.924 5.207 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.142 4.303 5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.792 2.087 5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.568 3.263 7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.209 2.810 6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.530 2.845 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.995 3.618 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.839 4.570 3.336 1.00 0.00 H new ATOM 789 N GLU A 48 -14.098 8.385 5.151 1.00 0.00 N ATOM 790 CA GLU A 48 -13.793 9.415 4.174 1.00 0.00 C ATOM 791 C GLU A 48 -12.383 9.963 4.403 1.00 0.00 C ATOM 792 O GLU A 48 -11.636 10.184 3.450 1.00 0.00 O ATOM 793 CB GLU A 48 -14.831 10.538 4.219 1.00 0.00 C ATOM 794 CG GLU A 48 -15.045 11.031 5.652 1.00 0.00 C ATOM 795 CD GLU A 48 -16.492 11.476 5.869 1.00 0.00 C ATOM 796 OE1 GLU A 48 -16.781 12.647 5.538 1.00 0.00 O ATOM 797 OE2 GLU A 48 -17.277 10.636 6.360 1.00 0.00 O ATOM 0 H GLU A 48 -15.016 8.470 5.588 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.832 8.968 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.503 11.366 3.591 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.776 10.181 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.796 10.236 6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.370 11.862 5.859 1.00 0.00 H new ATOM 804 N LEU A 49 -12.060 10.167 5.672 1.00 0.00 N ATOM 805 CA LEU A 49 -10.753 10.685 6.038 1.00 0.00 C ATOM 806 C LEU A 49 -9.718 9.562 5.936 1.00 0.00 C ATOM 807 O LEU A 49 -8.537 9.820 5.711 1.00 0.00 O ATOM 808 CB LEU A 49 -10.806 11.350 7.414 1.00 0.00 C ATOM 809 CG LEU A 49 -11.734 12.560 7.539 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.542 13.261 8.885 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.547 13.518 6.361 1.00 0.00 C ATOM 0 H LEU A 49 -12.681 9.983 6.460 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.445 11.467 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.115 10.603 8.145 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.797 11.662 7.684 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.764 12.206 7.505 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.213 14.117 8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.765 12.564 9.693 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.510 13.601 8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.218 14.369 6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.516 13.870 6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.774 12.999 5.430 1.00 0.00 H new ATOM 823 N LEU A 50 -10.199 8.340 6.108 1.00 0.00 N ATOM 824 CA LEU A 50 -9.331 7.177 6.039 1.00 0.00 C ATOM 825 C LEU A 50 -9.130 6.782 4.575 1.00 0.00 C ATOM 826 O LEU A 50 -10.085 6.749 3.801 1.00 0.00 O ATOM 827 CB LEU A 50 -9.879 6.046 6.912 1.00 0.00 C ATOM 828 CG LEU A 50 -8.912 5.468 7.947 1.00 0.00 C ATOM 829 CD1 LEU A 50 -9.371 5.798 9.369 1.00 0.00 C ATOM 830 CD2 LEU A 50 -8.722 3.964 7.740 1.00 0.00 C ATOM 0 H LEU A 50 -11.179 8.130 6.295 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.347 7.412 6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.762 6.413 7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.208 5.237 6.260 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.938 5.937 7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.667 5.376 10.086 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.413 6.880 9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.360 5.374 9.540 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.030 3.578 8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.683 3.459 7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.318 3.782 6.744 1.00 0.00 H new ATOM 842 N VAL A 51 -7.882 6.492 4.239 1.00 0.00 N ATOM 843 CA VAL A 51 -7.543 6.100 2.882 1.00 0.00 C ATOM 844 C VAL A 51 -6.576 4.916 2.923 1.00 0.00 C ATOM 845 O VAL A 51 -5.914 4.686 3.934 1.00 0.00 O ATOM 846 CB VAL A 51 -6.986 7.301 2.114 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.114 7.094 0.604 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.673 8.597 2.550 1.00 0.00 C ATOM 0 H VAL A 51 -7.092 6.521 4.884 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.434 5.773 2.346 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.926 7.387 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.711 7.962 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.558 6.204 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.165 6.969 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.259 9.435 1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.743 8.524 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.507 8.756 3.615 1.00 0.00 H new ATOM 858 N ILE A 52 -6.525 4.196 1.812 1.00 0.00 N ATOM 859 CA ILE A 52 -5.649 3.041 1.709 1.00 0.00 C ATOM 860 C ILE A 52 -4.668 3.251 0.554 1.00 0.00 C ATOM 861 O ILE A 52 -5.080 3.513 -0.575 1.00 0.00 O ATOM 862 CB ILE A 52 -6.470 1.755 1.592 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.572 1.710 2.652 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.568 0.521 1.650 1.00 0.00 C ATOM 865 CD1 ILE A 52 -7.017 1.248 4.001 1.00 0.00 C ATOM 0 H ILE A 52 -7.076 4.390 0.976 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.055 2.932 2.616 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.960 1.750 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.020 2.698 2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.364 1.034 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.177 -0.379 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.853 0.554 0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.031 0.507 2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.821 1.225 4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.592 0.250 3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.242 1.940 4.332 1.00 0.00 H new ATOM 877 N GLN A 53 -3.389 3.129 0.876 1.00 0.00 N ATOM 878 CA GLN A 53 -2.346 3.303 -0.121 1.00 0.00 C ATOM 879 C GLN A 53 -2.413 2.182 -1.160 1.00 0.00 C ATOM 880 O GLN A 53 -2.589 2.442 -2.349 1.00 0.00 O ATOM 881 CB GLN A 53 -0.965 3.361 0.535 1.00 0.00 C ATOM 882 CG GLN A 53 0.120 3.667 -0.499 1.00 0.00 C ATOM 883 CD GLN A 53 1.352 4.284 0.165 1.00 0.00 C ATOM 884 OE1 GLN A 53 1.564 5.486 0.146 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.152 3.398 0.752 1.00 0.00 N ATOM 0 H GLN A 53 -3.051 2.912 1.813 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.511 4.253 -0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.959 4.126 1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.750 2.410 1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.402 2.751 -1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.273 4.351 -1.252 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.916 2.406 0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.001 3.711 1.223 1.00 0.00 H new ATOM 894 N ARG A 54 -2.269 0.958 -0.673 1.00 0.00 N ATOM 895 CA ARG A 54 -2.311 -0.204 -1.544 1.00 0.00 C ATOM 896 C ARG A 54 -2.116 -1.485 -0.731 1.00 0.00 C ATOM 897 O ARG A 54 -1.123 -1.628 -0.020 1.00 0.00 O ATOM 898 CB ARG A 54 -1.228 -0.123 -2.622 1.00 0.00 C ATOM 899 CG ARG A 54 -1.716 -0.735 -3.937 1.00 0.00 C ATOM 900 CD ARG A 54 -0.694 -0.519 -5.055 1.00 0.00 C ATOM 901 NE ARG A 54 -1.049 0.684 -5.840 1.00 0.00 N ATOM 902 CZ ARG A 54 -0.291 1.190 -6.823 1.00 0.00 C ATOM 903 NH1 ARG A 54 0.867 0.600 -7.147 1.00 0.00 N ATOM 904 NH2 ARG A 54 -0.692 2.286 -7.481 1.00 0.00 N ATOM 0 H ARG A 54 -2.123 0.746 0.314 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.288 -0.221 -2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.948 0.918 -2.783 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.333 -0.645 -2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.893 -1.802 -3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.669 -0.287 -4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.303 -0.405 -4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.665 -1.393 -5.706 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.925 1.158 -5.619 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.172 -0.234 -6.646 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.444 0.985 -7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.574 2.735 -7.234 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.115 2.671 -8.229 1.00 0.00 H new ATOM 918 N ILE A 55 -3.081 -2.384 -0.862 1.00 0.00 N ATOM 919 CA ILE A 55 -3.029 -3.648 -0.148 1.00 0.00 C ATOM 920 C ILE A 55 -2.213 -4.655 -0.962 1.00 0.00 C ATOM 921 O ILE A 55 -2.299 -4.681 -2.188 1.00 0.00 O ATOM 922 CB ILE A 55 -4.440 -4.131 0.192 1.00 0.00 C ATOM 923 CG1 ILE A 55 -5.005 -3.371 1.394 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.465 -5.645 0.408 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.281 -4.037 1.913 1.00 0.00 C ATOM 0 H ILE A 55 -3.904 -2.262 -1.452 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.521 -3.524 0.809 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.088 -3.917 -0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.260 -3.335 2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.218 -2.340 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.480 -5.962 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.134 -6.148 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.799 -5.906 1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.662 -3.477 2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.032 -4.050 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.059 -5.059 2.219 1.00 0.00 H new ATOM 937 N LYS A 56 -1.442 -5.460 -0.246 1.00 0.00 N ATOM 938 CA LYS A 56 -0.612 -6.466 -0.886 1.00 0.00 C ATOM 939 C LYS A 56 -0.932 -7.839 -0.291 1.00 0.00 C ATOM 940 O LYS A 56 -0.693 -8.077 0.892 1.00 0.00 O ATOM 941 CB LYS A 56 0.866 -6.083 -0.789 1.00 0.00 C ATOM 942 CG LYS A 56 1.630 -6.523 -2.040 1.00 0.00 C ATOM 943 CD LYS A 56 2.969 -5.791 -2.151 1.00 0.00 C ATOM 944 CE LYS A 56 3.793 -6.331 -3.320 1.00 0.00 C ATOM 945 NZ LYS A 56 5.117 -5.671 -3.369 1.00 0.00 N ATOM 0 H LYS A 56 -1.375 -5.436 0.771 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.834 -6.520 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.958 -5.004 -0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.308 -6.546 0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.801 -7.599 -2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.028 -6.324 -2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.794 -4.724 -2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.529 -5.906 -1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.921 -7.408 -3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.261 -6.162 -4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.664 -6.049 -4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.990 -4.646 -3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.629 -5.853 -2.482 1.00 0.00 H new ATOM 959 N THR A 57 -1.467 -8.706 -1.138 1.00 0.00 N ATOM 960 CA THR A 57 -1.822 -10.048 -0.710 1.00 0.00 C ATOM 961 C THR A 57 -0.599 -10.965 -0.762 1.00 0.00 C ATOM 962 O THR A 57 0.117 -10.995 -1.762 1.00 0.00 O ATOM 963 CB THR A 57 -2.981 -10.532 -1.584 1.00 0.00 C ATOM 964 OG1 THR A 57 -3.792 -9.372 -1.759 1.00 0.00 O ATOM 965 CG2 THR A 57 -3.894 -11.518 -0.853 1.00 0.00 C ATOM 0 H THR A 57 -1.663 -8.505 -2.119 1.00 0.00 H new ATOM 0 HA THR A 57 -2.153 -10.057 0.329 1.00 0.00 H new ATOM 0 HB THR A 57 -2.585 -11.003 -2.484 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.567 -9.595 -2.316 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.699 -11.830 -1.518 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.317 -12.391 -0.548 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.317 -11.037 0.029 1.00 0.00 H new ATOM 1050 N GLU A 63 -2.524 -13.584 4.000 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.408 -12.350 4.759 1.00 0.00 C ATOM 1052 C GLU A 63 -2.129 -11.174 3.821 1.00 0.00 C ATOM 1053 O GLU A 63 -1.164 -11.199 3.058 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.323 -12.466 5.831 1.00 0.00 C ATOM 1055 CG GLU A 63 -0.937 -11.087 6.371 1.00 0.00 C ATOM 1056 CD GLU A 63 0.286 -10.534 5.636 1.00 0.00 C ATOM 1057 OE1 GLU A 63 1.346 -11.189 5.724 1.00 0.00 O ATOM 1058 OE2 GLU A 63 0.132 -9.467 5.002 1.00 0.00 O ATOM 0 HA GLU A 63 -3.355 -12.168 5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.679 -13.094 6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.444 -12.956 5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.776 -10.400 6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.724 -11.157 7.438 1.00 0.00 H new ATOM 1065 N SER A 64 -2.990 -10.171 3.907 1.00 0.00 N ATOM 1066 CA SER A 64 -2.848 -8.988 3.076 1.00 0.00 C ATOM 1067 C SER A 64 -2.476 -7.782 3.940 1.00 0.00 C ATOM 1068 O SER A 64 -3.101 -7.536 4.971 1.00 0.00 O ATOM 1069 CB SER A 64 -4.134 -8.706 2.296 1.00 0.00 C ATOM 1070 OG SER A 64 -4.645 -9.878 1.666 1.00 0.00 O ATOM 0 H SER A 64 -3.789 -10.153 4.540 1.00 0.00 H new ATOM 0 HA SER A 64 -2.050 -9.170 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.887 -8.301 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.940 -7.944 1.541 1.00 0.00 H new ATOM 0 HG SER A 64 -5.467 -9.656 1.180 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.460 -7.062 3.489 1.00 0.00 N ATOM 1077 CA LYS A 65 -0.997 -5.888 4.209 1.00 0.00 C ATOM 1078 C LYS A 65 -1.185 -4.650 3.330 1.00 0.00 C ATOM 1079 O LYS A 65 -1.057 -4.725 2.109 1.00 0.00 O ATOM 1080 CB LYS A 65 0.441 -6.087 4.691 1.00 0.00 C ATOM 1081 CG LYS A 65 1.440 -5.494 3.696 1.00 0.00 C ATOM 1082 CD LYS A 65 2.875 -5.630 4.211 1.00 0.00 C ATOM 1083 CE LYS A 65 3.355 -7.079 4.118 1.00 0.00 C ATOM 1084 NZ LYS A 65 3.567 -7.465 2.705 1.00 0.00 N ATOM 0 H LYS A 65 -0.944 -7.269 2.634 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.592 -5.734 5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.570 -5.616 5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.641 -7.151 4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.345 -6.000 2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.209 -4.442 3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.536 -4.986 3.631 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.928 -5.291 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.283 -7.197 4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.621 -7.742 4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.153 -8.323 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.648 -7.651 2.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.049 -6.693 2.203 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.486 -3.538 3.985 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.692 -2.285 3.279 1.00 0.00 C ATOM 1100 C GLY A 66 -1.570 -1.093 4.230 1.00 0.00 C ATOM 1101 O GLY A 66 -1.967 -1.177 5.391 1.00 0.00 O ATOM 0 H GLY A 66 -1.592 -3.479 4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.960 -2.191 2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.677 -2.284 2.813 1.00 0.00 H new ATOM 1105 N TYR A 67 -1.019 -0.010 3.702 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.839 1.198 4.489 1.00 0.00 C ATOM 1107 C TYR A 67 -2.008 2.164 4.285 1.00 0.00 C ATOM 1108 O TYR A 67 -2.309 2.550 3.156 1.00 0.00 O ATOM 1109 CB TYR A 67 0.444 1.852 3.971 1.00 0.00 C ATOM 1110 CG TYR A 67 1.724 1.288 4.593 1.00 0.00 C ATOM 1111 CD1 TYR A 67 2.033 -0.049 4.443 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.569 2.116 5.302 1.00 0.00 C ATOM 1113 CE1 TYR A 67 3.237 -0.579 5.027 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.773 1.586 5.887 1.00 0.00 C ATOM 1115 CZ TYR A 67 4.048 0.264 5.721 1.00 0.00 C ATOM 1116 OH TYR A 67 5.185 -0.237 6.273 1.00 0.00 O ATOM 0 H TYR A 67 -0.691 0.056 2.738 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.787 0.960 5.551 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.492 1.727 2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.398 2.923 4.167 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.371 -0.697 3.888 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.327 3.162 5.418 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.491 -1.623 4.917 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.443 2.224 6.445 1.00 0.00 H new ATOM 0 HH TYR A 67 5.196 -0.042 7.233 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.633 2.528 5.394 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.762 3.442 5.352 1.00 0.00 C ATOM 1128 C ALA A 68 -3.293 4.844 5.745 1.00 0.00 C ATOM 1129 O ALA A 68 -2.252 4.999 6.382 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.875 2.923 6.264 1.00 0.00 C ATOM 0 H ALA A 68 -2.379 2.207 6.328 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.169 3.501 4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.721 3.609 6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.194 1.937 5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.504 2.852 7.286 1.00 0.00 H new ATOM 1136 N LYS A 69 -4.083 5.831 5.348 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.761 7.215 5.650 1.00 0.00 C ATOM 1138 C LYS A 69 -4.938 7.859 6.386 1.00 0.00 C ATOM 1139 O LYS A 69 -6.009 8.042 5.810 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.349 7.960 4.379 1.00 0.00 C ATOM 1141 CG LYS A 69 -2.006 7.447 3.854 1.00 0.00 C ATOM 1142 CD LYS A 69 -1.836 7.777 2.370 1.00 0.00 C ATOM 1143 CE LYS A 69 -2.472 6.698 1.491 1.00 0.00 C ATOM 1144 NZ LYS A 69 -3.581 7.267 0.693 1.00 0.00 N ATOM 0 H LYS A 69 -4.946 5.699 4.820 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.900 7.269 6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.115 7.833 3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.279 9.028 4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.193 7.895 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.942 6.369 4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.293 8.743 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.776 7.866 2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.720 6.271 0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.844 5.885 2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.207 6.501 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.122 7.935 1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.194 7.766 -0.133 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.699 8.186 7.648 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.726 8.805 8.468 1.00 0.00 C ATOM 1160 C LEU A 70 -5.468 10.311 8.549 1.00 0.00 C ATOM 1161 O LEU A 70 -4.392 10.739 8.964 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.806 8.120 9.833 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.603 8.861 10.909 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -7.984 9.265 10.388 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.695 8.032 12.192 1.00 0.00 C ATOM 0 H LEU A 70 -3.809 8.034 8.122 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.708 8.674 8.014 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.248 7.133 9.697 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.791 7.967 10.201 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.071 9.779 11.156 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.530 9.790 11.172 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.870 9.920 9.525 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.538 8.373 10.096 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.266 8.582 12.940 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.192 7.086 11.979 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.692 7.837 12.572 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.474 11.074 8.145 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.369 12.523 8.167 1.00 0.00 C ATOM 1179 C TYR A 71 -7.277 13.122 9.244 1.00 0.00 C ATOM 1180 O TYR A 71 -8.160 12.442 9.764 1.00 0.00 O ATOM 1181 CB TYR A 71 -6.844 13.001 6.794 1.00 0.00 C ATOM 1182 CG TYR A 71 -5.862 12.706 5.659 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.849 11.461 5.063 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -4.988 13.684 5.231 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.924 11.183 3.994 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -4.063 13.407 4.162 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.077 12.170 3.597 1.00 0.00 C ATOM 1188 OH TYR A 71 -3.204 11.908 2.588 1.00 0.00 O ATOM 0 H TYR A 71 -7.365 10.716 7.801 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.346 12.830 8.386 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.799 12.528 6.566 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.022 14.075 6.836 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.533 10.695 5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.997 14.658 5.698 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.904 10.213 3.519 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.374 14.164 3.817 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.662 12.705 2.409 1.00 0.00 H new ATOM 1198 N GLU A 72 -7.027 14.387 9.546 1.00 0.00 N ATOM 1199 CA GLU A 72 -7.811 15.085 10.551 1.00 0.00 C ATOM 1200 C GLU A 72 -9.042 15.731 9.911 1.00 0.00 C ATOM 1201 O GLU A 72 -10.049 15.954 10.580 1.00 0.00 O ATOM 1202 CB GLU A 72 -6.962 16.128 11.281 1.00 0.00 C ATOM 1203 CG GLU A 72 -6.343 15.539 12.550 1.00 0.00 C ATOM 1204 CD GLU A 72 -6.994 16.129 13.803 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -7.448 17.290 13.714 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -7.023 15.405 14.822 1.00 0.00 O ATOM 0 H GLU A 72 -6.293 14.947 9.113 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.149 14.358 11.289 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.173 16.487 10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.579 16.989 11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.464 14.456 12.549 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.272 15.740 12.563 1.00 0.00 H new ATOM 1213 N ASP A 73 -8.919 16.013 8.622 1.00 0.00 N ATOM 1214 CA ASP A 73 -10.009 16.629 7.884 1.00 0.00 C ATOM 1215 C ASP A 73 -9.866 16.294 6.398 1.00 0.00 C ATOM 1216 O ASP A 73 -8.779 15.949 5.938 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.983 18.151 8.031 1.00 0.00 C ATOM 1218 CG ASP A 73 -10.523 18.682 9.360 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -11.498 18.080 9.858 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -9.947 19.678 9.849 1.00 0.00 O ATOM 0 H ASP A 73 -8.082 15.826 8.070 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.947 16.245 8.284 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.956 18.495 7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.564 18.589 7.219 1.00 0.00 H new ATOM 1225 N ALA A 74 -10.979 16.408 5.689 1.00 0.00 N ATOM 1226 CA ALA A 74 -10.991 16.122 4.264 1.00 0.00 C ATOM 1227 C ALA A 74 -10.433 17.326 3.502 1.00 0.00 C ATOM 1228 O ALA A 74 -9.719 17.162 2.514 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.413 15.764 3.827 1.00 0.00 C ATOM 0 H ALA A 74 -11.879 16.694 6.074 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.355 15.266 4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.422 15.550 2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.752 14.886 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.079 16.601 4.035 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.780 18.508 3.990 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.323 19.738 3.367 1.00 0.00 C ATOM 1237 C ASP A 75 -8.813 19.658 3.138 1.00 0.00 C ATOM 1238 O ASP A 75 -8.323 20.019 2.069 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.601 20.946 4.264 1.00 0.00 C ATOM 1240 CG ASP A 75 -11.164 22.172 3.542 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -10.963 22.247 2.310 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -11.782 23.006 4.238 1.00 0.00 O ATOM 0 H ASP A 75 -11.372 18.640 4.810 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.858 19.857 2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.303 20.647 5.043 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.674 21.230 4.762 1.00 0.00 H new ATOM 1247 N ARG A 76 -8.116 19.181 4.159 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.671 19.049 4.082 1.00 0.00 C ATOM 1249 C ARG A 76 -6.289 17.999 3.037 1.00 0.00 C ATOM 1250 O ARG A 76 -5.440 18.249 2.182 1.00 0.00 O ATOM 1251 CB ARG A 76 -6.082 18.649 5.436 1.00 0.00 C ATOM 1252 CG ARG A 76 -5.186 19.756 5.993 1.00 0.00 C ATOM 1253 CD ARG A 76 -3.980 19.998 5.082 1.00 0.00 C ATOM 1254 NE ARG A 76 -2.965 20.809 5.790 1.00 0.00 N ATOM 1255 CZ ARG A 76 -1.677 20.882 5.429 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -1.239 20.192 4.367 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -0.826 21.644 6.130 1.00 0.00 N ATOM 0 H ARG A 76 -8.525 18.881 5.044 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.264 20.018 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.888 18.440 6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.506 17.730 5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.760 20.677 6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.843 19.483 6.991 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.548 19.045 4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.297 20.510 4.173 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.265 21.346 6.604 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.886 19.611 3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.258 20.247 4.092 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.159 22.169 6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.155 21.699 5.855 1.00 0.00 H new ATOM 1271 N MET A 77 -6.934 16.846 3.139 1.00 0.00 N ATOM 1272 CA MET A 77 -6.673 15.757 2.214 1.00 0.00 C ATOM 1273 C MET A 77 -6.754 16.239 0.764 1.00 0.00 C ATOM 1274 O MET A 77 -5.957 15.825 -0.077 1.00 0.00 O ATOM 1275 CB MET A 77 -7.693 14.640 2.438 1.00 0.00 C ATOM 1276 CG MET A 77 -7.528 13.529 1.399 1.00 0.00 C ATOM 1277 SD MET A 77 -8.013 11.961 2.099 1.00 0.00 S ATOM 1278 CE MET A 77 -9.721 12.307 2.484 1.00 0.00 C ATOM 0 H MET A 77 -7.637 16.643 3.849 1.00 0.00 H new ATOM 0 HA MET A 77 -5.666 15.383 2.398 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.571 14.227 3.439 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.702 15.048 2.382 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.136 13.748 0.521 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.491 13.483 1.066 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.843 12.380 3.565 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.015 13.249 2.021 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.350 11.503 2.102 1.00 0.00 H new