USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 749 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 6 HIS : no HE2:sc= -0.328 X(o=-0.54,f=-0.85) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -159:sc= -0.215 (180deg=-0.71) USER MOD Set 2.1: A 8 THR OG1 : rot -47:sc= 1.45 USER MOD Set 2.2: A 11 SER OG : rot 10:sc= 3.02 USER MOD Single : A 3 LYS NZ :NH3+ -130:sc= 0.208 (180deg=-0.0551) USER MOD Single : A 14 THR OG1 : rot 46:sc= 1.26 USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0398) USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 1.13 (180deg=0.924) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 1.14 K(o=1.1,f=-0.0032) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 1.08 K(o=1.1,f=-8.8!) USER MOD Single : A 62 GLN : amide:sc= 1.03 K(o=1,f=-0.008) USER MOD Single : A 63 ASN : amide:sc= 1.31 K(o=1.3,f=-4.9!) USER MOD Single : A 66 THR OG1 : rot -68:sc= 0.171 USER MOD Single : A 69 LYS NZ :NH3+ 162:sc= 0.942 (180deg=0.737) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 19:sc= 0.338 USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 1.06 (180deg=1) USER MOD Single : A 95 SER OG : rot 180:sc= 0.542 USER MOD Single : A 96 LYS NZ :NH3+ -177:sc= 0.998 (180deg=0.992) USER MOD Single : A 98 GLN : amide:sc= 0.796 K(o=0.8,f=-0.013) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0.882 (180deg=0.882) USER MOD Single : A 106 ASN : amide:sc= 0.534 K(o=0.53,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 3 4.056 -9.044 1.467 1.00 0.00 N ATOM 25 CA LYS A 3 2.737 -8.815 2.049 1.00 0.00 C ATOM 26 C LYS A 3 1.874 -8.008 1.072 1.00 0.00 C ATOM 27 O LYS A 3 0.970 -7.289 1.490 1.00 0.00 O ATOM 28 CB LYS A 3 2.913 -8.046 3.369 1.00 0.00 C ATOM 29 CG LYS A 3 3.705 -8.833 4.425 1.00 0.00 C ATOM 30 CD LYS A 3 3.986 -7.937 5.639 1.00 0.00 C ATOM 31 CE LYS A 3 4.882 -8.645 6.662 1.00 0.00 C ATOM 32 NZ LYS A 3 6.266 -8.802 6.174 1.00 0.00 N ATOM 0 HA LYS A 3 2.240 -9.765 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.423 -7.104 3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.931 -7.797 3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.141 -9.713 4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.643 -9.188 3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.466 -7.015 5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.045 -7.655 6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.888 -8.077 7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.465 -9.626 6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.568 -9.790 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.309 -8.550 5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.898 -8.177 6.715 1.00 0.00 H new ATOM 46 N ILE A 4 2.161 -8.098 -0.229 1.00 0.00 N ATOM 47 CA ILE A 4 1.441 -7.332 -1.230 1.00 0.00 C ATOM 48 C ILE A 4 0.103 -7.985 -1.562 1.00 0.00 C ATOM 49 O ILE A 4 0.022 -9.200 -1.747 1.00 0.00 O ATOM 50 CB ILE A 4 2.288 -7.110 -2.489 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.603 -6.410 -2.108 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.454 -6.260 -3.456 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.410 -5.976 -3.329 1.00 0.00 C ATOM 0 H ILE A 4 2.892 -8.699 -0.608 1.00 0.00 H new ATOM 0 HA ILE A 4 1.234 -6.349 -0.807 1.00 0.00 H new ATOM 0 HB ILE A 4 2.551 -8.054 -2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.381 -5.537 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.206 -7.083 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.025 -6.080 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.533 -6.788 -3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.211 -5.307 -2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.328 -5.487 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.658 -6.850 -3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.821 -5.280 -3.926 1.00 0.00 H new ATOM 65 N ILE A 5 -0.942 -7.161 -1.658 1.00 0.00 N ATOM 66 CA ILE A 5 -2.292 -7.616 -1.960 1.00 0.00 C ATOM 67 C ILE A 5 -2.560 -7.619 -3.459 1.00 0.00 C ATOM 68 O ILE A 5 -2.592 -6.577 -4.108 1.00 0.00 O ATOM 69 CB ILE A 5 -3.327 -6.780 -1.183 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.004 -6.664 0.320 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.745 -7.333 -1.392 1.00 0.00 C ATOM 72 CD1 ILE A 5 -2.862 -8.008 1.041 1.00 0.00 C ATOM 0 H ILE A 5 -0.870 -6.152 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.388 -8.650 -1.629 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.276 -5.771 -1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.077 -6.102 0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.791 -6.086 0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.458 -6.726 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.995 -7.303 -2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.790 -8.363 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.635 -7.834 2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.795 -8.566 0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.055 -8.582 0.586 1.00 0.00 H new ATOM 84 N HIS A 6 -2.775 -8.814 -4.004 1.00 0.00 N ATOM 85 CA HIS A 6 -3.077 -9.023 -5.404 1.00 0.00 C ATOM 86 C HIS A 6 -4.568 -8.790 -5.622 1.00 0.00 C ATOM 87 O HIS A 6 -5.381 -9.670 -5.358 1.00 0.00 O ATOM 88 CB HIS A 6 -2.556 -10.409 -5.794 1.00 0.00 C ATOM 89 CG HIS A 6 -1.045 -10.417 -5.727 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.246 -10.972 -4.742 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.279 -9.526 -6.416 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.991 -10.447 -4.880 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.994 -9.584 -5.906 1.00 0.00 N ATOM 0 H HIS A 6 -2.742 -9.680 -3.465 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.578 -8.316 -6.067 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -2.964 -11.165 -5.123 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.887 -10.664 -6.801 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -0.538 -11.653 -4.041 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.614 -8.888 -7.220 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.843 -10.685 -4.261 1.00 0.00 H new ATOM 102 N LEU A 7 -4.916 -7.576 -6.060 1.00 0.00 N ATOM 103 CA LEU A 7 -6.294 -7.151 -6.231 1.00 0.00 C ATOM 104 C LEU A 7 -6.888 -7.567 -7.570 1.00 0.00 C ATOM 105 O LEU A 7 -6.189 -7.761 -8.564 1.00 0.00 O ATOM 106 CB LEU A 7 -6.375 -5.621 -6.155 1.00 0.00 C ATOM 107 CG LEU A 7 -6.075 -5.029 -4.775 1.00 0.00 C ATOM 108 CD1 LEU A 7 -5.961 -3.513 -4.942 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.202 -5.321 -3.780 1.00 0.00 C ATOM 0 H LEU A 7 -4.235 -6.858 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.860 -7.634 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.675 -5.198 -6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.374 -5.309 -6.459 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.157 -5.472 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.747 -3.056 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.155 -3.283 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.900 -3.118 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.954 -4.886 -2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.132 -4.886 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.323 -6.399 -3.673 1.00 0.00 H new ATOM 121 N THR A 8 -8.220 -7.593 -7.572 1.00 0.00 N ATOM 122 CA THR A 8 -9.084 -7.782 -8.718 1.00 0.00 C ATOM 123 C THR A 8 -10.045 -6.592 -8.745 1.00 0.00 C ATOM 124 O THR A 8 -10.257 -5.951 -7.708 1.00 0.00 O ATOM 125 CB THR A 8 -9.876 -9.090 -8.598 1.00 0.00 C ATOM 126 OG1 THR A 8 -10.779 -9.021 -7.508 1.00 0.00 O ATOM 127 CG2 THR A 8 -8.955 -10.301 -8.425 1.00 0.00 C ATOM 0 H THR A 8 -8.752 -7.474 -6.710 1.00 0.00 H new ATOM 0 HA THR A 8 -8.496 -7.842 -9.634 1.00 0.00 H new ATOM 0 HB THR A 8 -10.431 -9.218 -9.527 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.315 -8.667 -6.721 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.556 -11.207 -8.344 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.293 -10.381 -9.287 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.359 -10.179 -7.520 1.00 0.00 H new ATOM 135 N ASP A 9 -10.664 -6.320 -9.896 1.00 0.00 N ATOM 136 CA ASP A 9 -11.654 -5.256 -10.015 1.00 0.00 C ATOM 137 C ASP A 9 -12.768 -5.485 -8.989 1.00 0.00 C ATOM 138 O ASP A 9 -13.186 -4.562 -8.296 1.00 0.00 O ATOM 139 CB ASP A 9 -12.225 -5.216 -11.435 1.00 0.00 C ATOM 140 CG ASP A 9 -13.220 -4.070 -11.583 1.00 0.00 C ATOM 141 OD1 ASP A 9 -12.772 -2.908 -11.487 1.00 0.00 O ATOM 142 OD2 ASP A 9 -14.415 -4.377 -11.785 1.00 0.00 O ATOM 0 H ASP A 9 -10.493 -6.829 -10.763 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.179 -4.295 -9.817 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.415 -5.097 -12.155 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.716 -6.162 -11.662 1.00 0.00 H new ATOM 147 N ASP A 10 -13.216 -6.739 -8.885 1.00 0.00 N ATOM 148 CA ASP A 10 -14.250 -7.179 -7.961 1.00 0.00 C ATOM 149 C ASP A 10 -13.901 -6.793 -6.523 1.00 0.00 C ATOM 150 O ASP A 10 -14.740 -6.268 -5.797 1.00 0.00 O ATOM 151 CB ASP A 10 -14.431 -8.701 -8.071 1.00 0.00 C ATOM 152 CG ASP A 10 -14.741 -9.147 -9.495 1.00 0.00 C ATOM 153 OD1 ASP A 10 -13.794 -9.109 -10.312 1.00 0.00 O ATOM 154 OD2 ASP A 10 -15.912 -9.508 -9.741 1.00 0.00 O ATOM 0 H ASP A 10 -12.853 -7.497 -9.463 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.184 -6.684 -8.227 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.524 -9.198 -7.727 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.238 -9.017 -7.410 1.00 0.00 H new ATOM 159 N SER A 11 -12.659 -7.054 -6.104 1.00 0.00 N ATOM 160 CA SER A 11 -12.234 -6.777 -4.738 1.00 0.00 C ATOM 161 C SER A 11 -11.939 -5.289 -4.528 1.00 0.00 C ATOM 162 O SER A 11 -12.051 -4.797 -3.406 1.00 0.00 O ATOM 163 CB SER A 11 -10.987 -7.611 -4.431 1.00 0.00 C ATOM 164 OG SER A 11 -10.025 -7.461 -5.460 1.00 0.00 O ATOM 0 H SER A 11 -11.933 -7.457 -6.696 1.00 0.00 H new ATOM 0 HA SER A 11 -13.044 -7.045 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.560 -7.300 -3.478 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.260 -8.661 -4.331 1.00 0.00 H new ATOM 0 HG SER A 11 -10.302 -6.742 -6.065 1.00 0.00 H new ATOM 170 N PHE A 12 -11.538 -4.590 -5.596 1.00 0.00 N ATOM 171 CA PHE A 12 -11.164 -3.184 -5.594 1.00 0.00 C ATOM 172 C PHE A 12 -12.029 -2.320 -4.676 1.00 0.00 C ATOM 173 O PHE A 12 -11.501 -1.608 -3.827 1.00 0.00 O ATOM 174 CB PHE A 12 -11.190 -2.645 -7.028 1.00 0.00 C ATOM 175 CG PHE A 12 -10.354 -1.402 -7.205 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.898 -0.130 -6.948 1.00 0.00 C ATOM 177 CD2 PHE A 12 -8.993 -1.533 -7.519 1.00 0.00 C ATOM 178 CE1 PHE A 12 -10.079 1.007 -7.025 1.00 0.00 C ATOM 179 CE2 PHE A 12 -8.188 -0.395 -7.648 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.733 0.879 -7.412 1.00 0.00 C ATOM 0 H PHE A 12 -11.465 -5.013 -6.521 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.154 -3.124 -5.189 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.831 -3.418 -7.707 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.220 -2.427 -7.310 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.942 -0.029 -6.692 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.565 -2.514 -7.662 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.482 1.980 -6.787 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.150 -0.496 -7.928 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.118 1.759 -7.528 1.00 0.00 H new ATOM 190 N ASP A 13 -13.353 -2.371 -4.837 1.00 0.00 N ATOM 191 CA ASP A 13 -14.258 -1.579 -4.012 1.00 0.00 C ATOM 192 C ASP A 13 -14.015 -1.844 -2.525 1.00 0.00 C ATOM 193 O ASP A 13 -13.633 -0.951 -1.769 1.00 0.00 O ATOM 194 CB ASP A 13 -15.715 -1.879 -4.392 1.00 0.00 C ATOM 195 CG ASP A 13 -16.684 -1.188 -3.433 1.00 0.00 C ATOM 196 OD1 ASP A 13 -16.929 0.019 -3.643 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.148 -1.875 -2.498 1.00 0.00 O ATOM 0 H ASP A 13 -13.819 -2.954 -5.532 1.00 0.00 H new ATOM 0 HA ASP A 13 -14.062 -0.523 -4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.905 -1.543 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.885 -2.955 -4.374 1.00 0.00 H new ATOM 202 N THR A 14 -14.239 -3.087 -2.110 1.00 0.00 N ATOM 203 CA THR A 14 -14.102 -3.523 -0.736 1.00 0.00 C ATOM 204 C THR A 14 -12.717 -3.272 -0.160 1.00 0.00 C ATOM 205 O THR A 14 -12.596 -2.990 1.027 1.00 0.00 O ATOM 206 CB THR A 14 -14.445 -5.017 -0.668 1.00 0.00 C ATOM 207 OG1 THR A 14 -14.191 -5.635 -1.920 1.00 0.00 O ATOM 208 CG2 THR A 14 -15.924 -5.193 -0.341 1.00 0.00 C ATOM 0 H THR A 14 -14.528 -3.834 -2.742 1.00 0.00 H new ATOM 0 HA THR A 14 -14.788 -2.935 -0.127 1.00 0.00 H new ATOM 0 HB THR A 14 -13.829 -5.476 0.105 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.317 -5.346 -2.256 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.162 -6.256 -0.294 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.142 -4.729 0.621 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.527 -4.720 -1.116 1.00 0.00 H new ATOM 216 N ASP A 15 -11.676 -3.429 -0.973 1.00 0.00 N ATOM 217 CA ASP A 15 -10.315 -3.300 -0.496 1.00 0.00 C ATOM 218 C ASP A 15 -9.843 -1.849 -0.552 1.00 0.00 C ATOM 219 O ASP A 15 -9.490 -1.264 0.467 1.00 0.00 O ATOM 220 CB ASP A 15 -9.382 -4.196 -1.323 1.00 0.00 C ATOM 221 CG ASP A 15 -9.557 -5.683 -1.025 1.00 0.00 C ATOM 222 OD1 ASP A 15 -10.705 -6.169 -1.134 1.00 0.00 O ATOM 223 OD2 ASP A 15 -8.530 -6.319 -0.708 1.00 0.00 O ATOM 0 H ASP A 15 -11.756 -3.646 -1.966 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.288 -3.620 0.546 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.565 -4.020 -2.383 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.348 -3.912 -1.127 1.00 0.00 H new ATOM 228 N VAL A 16 -9.799 -1.287 -1.758 1.00 0.00 N ATOM 229 CA VAL A 16 -9.240 0.024 -2.034 1.00 0.00 C ATOM 230 C VAL A 16 -10.196 1.156 -1.678 1.00 0.00 C ATOM 231 O VAL A 16 -9.797 2.114 -1.015 1.00 0.00 O ATOM 232 CB VAL A 16 -8.832 0.106 -3.516 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.076 1.406 -3.787 1.00 0.00 C ATOM 234 CG2 VAL A 16 -7.944 -1.071 -3.923 1.00 0.00 C ATOM 0 H VAL A 16 -10.163 -1.749 -2.591 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.362 0.150 -1.401 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.749 0.074 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.794 1.450 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.715 2.256 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.179 1.441 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.677 -0.978 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.038 -1.070 -3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.484 -2.005 -3.767 1.00 0.00 H new ATOM 244 N LEU A 17 -11.455 1.088 -2.114 1.00 0.00 N ATOM 245 CA LEU A 17 -12.354 2.201 -1.823 1.00 0.00 C ATOM 246 C LEU A 17 -12.604 2.312 -0.319 1.00 0.00 C ATOM 247 O LEU A 17 -12.757 3.417 0.196 1.00 0.00 O ATOM 248 CB LEU A 17 -13.602 2.198 -2.707 1.00 0.00 C ATOM 249 CG LEU A 17 -13.236 2.271 -4.203 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.510 2.433 -5.033 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.295 3.437 -4.545 1.00 0.00 C ATOM 0 H LEU A 17 -11.859 0.315 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.863 3.134 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.181 1.295 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.237 3.045 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.715 1.342 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.251 2.485 -6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.167 1.580 -4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.021 3.350 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.079 3.429 -5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.772 4.380 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.365 3.330 -3.986 1.00 0.00 H new ATOM 263 N LYS A 18 -12.566 1.187 0.397 1.00 0.00 N ATOM 264 CA LYS A 18 -12.659 1.184 1.851 1.00 0.00 C ATOM 265 C LYS A 18 -11.258 1.127 2.490 1.00 0.00 C ATOM 266 O LYS A 18 -11.104 0.536 3.559 1.00 0.00 O ATOM 267 CB LYS A 18 -13.557 0.033 2.322 1.00 0.00 C ATOM 268 CG LYS A 18 -14.888 -0.011 1.558 1.00 0.00 C ATOM 269 CD LYS A 18 -15.793 -1.107 2.136 1.00 0.00 C ATOM 270 CE LYS A 18 -17.054 -1.305 1.285 1.00 0.00 C ATOM 271 NZ LYS A 18 -17.880 -0.087 1.229 1.00 0.00 N ATOM 0 H LYS A 18 -12.470 0.259 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.119 2.116 2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.032 -0.913 2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.755 0.141 3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.387 0.956 1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.703 -0.202 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.240 -2.045 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.078 -0.844 3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.767 -1.595 0.274 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.644 -2.124 1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.769 -0.293 0.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.091 0.234 2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.364 0.660 0.721 1.00 0.00 H new ATOM 314 N ALA A 22 -4.017 3.353 4.518 1.00 0.00 N ATOM 315 CA ALA A 22 -3.328 3.791 3.316 1.00 0.00 C ATOM 316 C ALA A 22 -3.021 2.567 2.452 1.00 0.00 C ATOM 317 O ALA A 22 -2.253 1.703 2.875 1.00 0.00 O ATOM 318 CB ALA A 22 -2.056 4.542 3.720 1.00 0.00 C ATOM 0 HA ALA A 22 -3.948 4.471 2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.531 4.875 2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.322 5.407 4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.409 3.879 4.295 1.00 0.00 H new ATOM 324 N ILE A 23 -3.621 2.484 1.259 1.00 0.00 N ATOM 325 CA ILE A 23 -3.421 1.397 0.307 1.00 0.00 C ATOM 326 C ILE A 23 -2.698 1.950 -0.922 1.00 0.00 C ATOM 327 O ILE A 23 -3.170 2.909 -1.530 1.00 0.00 O ATOM 328 CB ILE A 23 -4.761 0.709 -0.039 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.114 -0.308 1.058 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.716 0.006 -1.402 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.415 -1.081 0.856 1.00 0.00 C ATOM 0 H ILE A 23 -4.275 3.192 0.925 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.797 0.620 0.747 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.526 1.483 -0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.297 -1.025 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.171 0.219 2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.680 -0.463 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.500 0.737 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.937 -0.756 -1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.563 -1.769 1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.250 -0.382 0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.362 -1.645 -0.075 1.00 0.00 H new ATOM 343 N LEU A 24 -1.570 1.339 -1.300 1.00 0.00 N ATOM 344 CA LEU A 24 -0.787 1.732 -2.468 1.00 0.00 C ATOM 345 C LEU A 24 -1.045 0.713 -3.571 1.00 0.00 C ATOM 346 O LEU A 24 -0.517 -0.394 -3.503 1.00 0.00 O ATOM 347 CB LEU A 24 0.696 1.819 -2.079 1.00 0.00 C ATOM 348 CG LEU A 24 1.664 2.341 -3.159 1.00 0.00 C ATOM 349 CD1 LEU A 24 2.053 1.300 -4.214 1.00 0.00 C ATOM 350 CD2 LEU A 24 1.149 3.607 -3.844 1.00 0.00 C ATOM 0 H LEU A 24 -1.173 0.547 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.077 2.716 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.781 2.464 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.027 0.826 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 24 2.570 2.583 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.736 1.750 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.543 0.456 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.158 0.953 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.868 3.932 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.193 3.398 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.018 4.395 -3.102 1.00 0.00 H new ATOM 362 N VAL A 25 -1.850 1.070 -4.576 1.00 0.00 N ATOM 363 CA VAL A 25 -2.175 0.178 -5.680 1.00 0.00 C ATOM 364 C VAL A 25 -1.191 0.375 -6.828 1.00 0.00 C ATOM 365 O VAL A 25 -1.190 1.432 -7.460 1.00 0.00 O ATOM 366 CB VAL A 25 -3.609 0.398 -6.189 1.00 0.00 C ATOM 367 CG1 VAL A 25 -3.945 -0.667 -7.244 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.637 0.318 -5.057 1.00 0.00 C ATOM 0 H VAL A 25 -2.292 1.987 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.101 -0.843 -5.304 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.657 1.398 -6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.961 -0.513 -7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.247 -0.587 -8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.865 -1.659 -6.798 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.636 0.479 -5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.589 -0.666 -4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.419 1.084 -4.313 1.00 0.00 H new ATOM 378 N ASP A 26 -0.403 -0.660 -7.119 1.00 0.00 N ATOM 379 CA ASP A 26 0.513 -0.711 -8.246 1.00 0.00 C ATOM 380 C ASP A 26 -0.195 -1.428 -9.395 1.00 0.00 C ATOM 381 O ASP A 26 -0.358 -2.648 -9.366 1.00 0.00 O ATOM 382 CB ASP A 26 1.795 -1.453 -7.857 1.00 0.00 C ATOM 383 CG ASP A 26 2.662 -1.732 -9.080 1.00 0.00 C ATOM 384 OD1 ASP A 26 2.776 -0.908 -9.982 1.00 0.00 O ATOM 385 OD2 ASP A 26 3.292 -2.932 -9.147 1.00 0.00 O ATOM 0 H ASP A 26 -0.388 -1.510 -6.556 1.00 0.00 H new ATOM 0 HA ASP A 26 0.794 0.297 -8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.358 -0.859 -7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.540 -2.392 -7.366 1.00 0.00 H new ATOM 391 N PHE A 27 -0.600 -0.686 -10.418 1.00 0.00 N ATOM 392 CA PHE A 27 -1.237 -1.264 -11.588 1.00 0.00 C ATOM 393 C PHE A 27 -0.123 -1.843 -12.458 1.00 0.00 C ATOM 394 O PHE A 27 0.790 -1.109 -12.839 1.00 0.00 O ATOM 395 CB PHE A 27 -2.052 -0.197 -12.320 1.00 0.00 C ATOM 396 CG PHE A 27 -3.313 0.231 -11.586 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.239 1.086 -10.470 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.570 -0.218 -12.029 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.415 1.497 -9.817 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.747 0.241 -11.410 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.670 1.094 -10.299 1.00 0.00 C ATOM 0 H PHE A 27 -0.496 0.328 -10.458 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.938 -2.055 -11.320 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.423 0.679 -12.481 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.328 -0.577 -13.304 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.278 1.427 -10.115 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.632 -0.919 -12.849 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.352 2.125 -8.941 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.711 -0.064 -11.791 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.573 1.439 -9.817 1.00 0.00 H new ATOM 411 N TRP A 28 -0.186 -3.148 -12.744 1.00 0.00 N ATOM 412 CA TRP A 28 0.813 -3.877 -13.514 1.00 0.00 C ATOM 413 C TRP A 28 0.147 -4.791 -14.542 1.00 0.00 C ATOM 414 O TRP A 28 -1.078 -4.860 -14.627 1.00 0.00 O ATOM 415 CB TRP A 28 1.724 -4.665 -12.558 1.00 0.00 C ATOM 416 CG TRP A 28 1.128 -5.887 -11.930 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.221 -5.896 -10.932 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.372 -7.287 -12.257 1.00 0.00 C ATOM 419 NE1 TRP A 28 -0.147 -7.197 -10.649 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.519 -8.098 -11.455 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.246 -7.955 -13.140 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.496 -9.499 -11.564 1.00 0.00 C ATOM 423 CZ3 TRP A 28 2.230 -9.355 -13.262 1.00 0.00 C ATOM 424 CH2 TRP A 28 1.330 -10.126 -12.508 1.00 0.00 C ATOM 0 H TRP A 28 -0.958 -3.738 -12.435 1.00 0.00 H new ATOM 0 HA TRP A 28 1.428 -3.168 -14.069 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.618 -4.963 -13.105 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.047 -3.994 -11.762 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.160 -5.019 -10.430 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.826 -7.459 -9.934 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.941 -7.380 -13.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.153 -10.086 -10.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.915 -9.842 -13.941 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.278 -11.195 -12.652 1.00 0.00 H new ATOM 435 N ALA A 29 0.969 -5.500 -15.318 1.00 0.00 N ATOM 436 CA ALA A 29 0.539 -6.431 -16.352 1.00 0.00 C ATOM 437 C ALA A 29 1.590 -7.530 -16.490 1.00 0.00 C ATOM 438 O ALA A 29 2.756 -7.282 -16.189 1.00 0.00 O ATOM 439 CB ALA A 29 0.413 -5.681 -17.676 1.00 0.00 C ATOM 0 H ALA A 29 1.984 -5.437 -15.238 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.423 -6.870 -16.088 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.091 -6.371 -18.456 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.321 -4.882 -17.573 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.379 -5.254 -17.945 1.00 0.00 H new ATOM 445 N GLU A 30 1.215 -8.717 -16.984 1.00 0.00 N ATOM 446 CA GLU A 30 2.169 -9.813 -17.158 1.00 0.00 C ATOM 447 C GLU A 30 3.344 -9.421 -18.059 1.00 0.00 C ATOM 448 O GLU A 30 4.434 -9.968 -17.925 1.00 0.00 O ATOM 449 CB GLU A 30 1.501 -11.082 -17.704 1.00 0.00 C ATOM 450 CG GLU A 30 0.409 -11.673 -16.798 1.00 0.00 C ATOM 451 CD GLU A 30 -1.024 -11.402 -17.252 1.00 0.00 C ATOM 452 OE1 GLU A 30 -1.242 -11.269 -18.476 1.00 0.00 O ATOM 453 OE2 GLU A 30 -1.888 -11.359 -16.351 1.00 0.00 O ATOM 0 H GLU A 30 0.261 -8.940 -17.268 1.00 0.00 H new ATOM 0 HA GLU A 30 2.555 -10.028 -16.162 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.064 -10.857 -18.677 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.268 -11.839 -17.867 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.556 -12.751 -16.734 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.537 -11.273 -15.792 1.00 0.00 H new ATOM 460 N TRP A 31 3.122 -8.483 -18.980 1.00 0.00 N ATOM 461 CA TRP A 31 4.123 -7.989 -19.916 1.00 0.00 C ATOM 462 C TRP A 31 4.901 -6.785 -19.362 1.00 0.00 C ATOM 463 O TRP A 31 5.829 -6.295 -20.004 1.00 0.00 O ATOM 464 CB TRP A 31 3.411 -7.644 -21.231 1.00 0.00 C ATOM 465 CG TRP A 31 2.195 -6.765 -21.123 1.00 0.00 C ATOM 466 CD1 TRP A 31 0.921 -7.199 -20.979 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.114 -5.307 -21.141 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.062 -6.125 -20.939 1.00 0.00 N ATOM 469 CE2 TRP A 31 0.742 -4.928 -21.034 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.061 -4.261 -21.227 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.330 -3.587 -21.023 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.659 -2.912 -21.213 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.297 -2.574 -21.119 1.00 0.00 C ATOM 0 H TRP A 31 2.213 -8.035 -19.096 1.00 0.00 H new ATOM 0 HA TRP A 31 4.870 -8.764 -20.085 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.129 -7.155 -21.890 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.117 -8.575 -21.715 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.623 -8.235 -20.906 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.951 -6.204 -20.850 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.111 -4.501 -21.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.718 -3.337 -20.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.402 -2.131 -21.275 1.00 0.00 H new ATOM 0 HH2 TRP A 31 0.996 -1.537 -21.121 1.00 0.00 H new ATOM 484 N CYS A 32 4.546 -6.283 -18.176 1.00 0.00 N ATOM 485 CA CYS A 32 5.188 -5.101 -17.616 1.00 0.00 C ATOM 486 C CYS A 32 6.537 -5.416 -16.971 1.00 0.00 C ATOM 487 O CYS A 32 6.645 -5.533 -15.749 1.00 0.00 O ATOM 488 CB CYS A 32 4.266 -4.440 -16.600 1.00 0.00 C ATOM 489 SG CYS A 32 4.949 -2.894 -15.965 1.00 0.00 S ATOM 0 H CYS A 32 3.815 -6.682 -17.587 1.00 0.00 H new ATOM 0 HA CYS A 32 5.379 -4.417 -18.443 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.298 -4.245 -17.063 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.091 -5.126 -15.771 1.00 0.00 H new ATOM 494 N GLY A 33 7.583 -5.543 -17.790 1.00 0.00 N ATOM 495 CA GLY A 33 8.945 -5.782 -17.316 1.00 0.00 C ATOM 496 C GLY A 33 9.310 -4.883 -16.123 1.00 0.00 C ATOM 497 O GLY A 33 9.628 -5.391 -15.046 1.00 0.00 O ATOM 0 H GLY A 33 7.507 -5.482 -18.805 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.049 -6.828 -17.026 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.648 -5.606 -18.130 1.00 0.00 H new ATOM 501 N PRO A 34 9.254 -3.549 -16.277 1.00 0.00 N ATOM 502 CA PRO A 34 9.559 -2.606 -15.210 1.00 0.00 C ATOM 503 C PRO A 34 8.775 -2.864 -13.916 1.00 0.00 C ATOM 504 O PRO A 34 9.291 -2.636 -12.824 1.00 0.00 O ATOM 505 CB PRO A 34 9.272 -1.218 -15.789 1.00 0.00 C ATOM 506 CG PRO A 34 9.452 -1.421 -17.293 1.00 0.00 C ATOM 507 CD PRO A 34 8.917 -2.836 -17.499 1.00 0.00 C ATOM 0 HA PRO A 34 10.600 -2.710 -14.903 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.264 -0.881 -15.546 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.961 -0.469 -15.399 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.892 -0.687 -17.872 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.496 -1.334 -17.593 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.840 -2.830 -17.668 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.373 -3.307 -18.369 1.00 0.00 H new ATOM 515 N CYS A 35 7.537 -3.366 -14.013 1.00 0.00 N ATOM 516 CA CYS A 35 6.741 -3.667 -12.830 1.00 0.00 C ATOM 517 C CYS A 35 7.446 -4.763 -12.035 1.00 0.00 C ATOM 518 O CYS A 35 7.587 -4.669 -10.816 1.00 0.00 O ATOM 519 CB CYS A 35 5.302 -4.087 -13.155 1.00 0.00 C ATOM 520 SG CYS A 35 4.251 -2.888 -14.014 1.00 0.00 S ATOM 0 H CYS A 35 7.072 -3.569 -14.898 1.00 0.00 H new ATOM 0 HA CYS A 35 6.660 -2.752 -12.244 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.345 -4.991 -13.762 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.811 -4.354 -12.219 1.00 0.00 H new ATOM 525 N LYS A 36 7.929 -5.795 -12.735 1.00 0.00 N ATOM 526 CA LYS A 36 8.669 -6.872 -12.103 1.00 0.00 C ATOM 527 C LYS A 36 9.947 -6.296 -11.497 1.00 0.00 C ATOM 528 O LYS A 36 10.291 -6.626 -10.367 1.00 0.00 O ATOM 529 CB LYS A 36 8.999 -7.971 -13.116 1.00 0.00 C ATOM 530 CG LYS A 36 7.748 -8.492 -13.834 1.00 0.00 C ATOM 531 CD LYS A 36 8.197 -9.364 -15.007 1.00 0.00 C ATOM 532 CE LYS A 36 7.016 -9.766 -15.894 1.00 0.00 C ATOM 533 NZ LYS A 36 6.460 -8.607 -16.607 1.00 0.00 N ATOM 0 H LYS A 36 7.816 -5.899 -13.743 1.00 0.00 H new ATOM 0 HA LYS A 36 8.061 -7.322 -11.318 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.704 -7.584 -13.852 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.493 -8.797 -12.605 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.128 -9.069 -13.147 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.140 -7.660 -14.190 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.933 -8.823 -15.602 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.690 -10.259 -14.628 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.340 -10.517 -16.615 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.240 -10.225 -15.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.742 -8.929 -17.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.023 -7.956 -15.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.222 -8.114 -17.116 1.00 0.00 H new ATOM 547 N MET A 37 10.638 -5.421 -12.235 1.00 0.00 N ATOM 548 CA MET A 37 11.859 -4.791 -11.748 1.00 0.00 C ATOM 549 C MET A 37 11.617 -4.072 -10.415 1.00 0.00 C ATOM 550 O MET A 37 12.451 -4.178 -9.519 1.00 0.00 O ATOM 551 CB MET A 37 12.457 -3.849 -12.799 1.00 0.00 C ATOM 552 CG MET A 37 12.905 -4.602 -14.057 1.00 0.00 C ATOM 553 SD MET A 37 13.459 -3.533 -15.409 1.00 0.00 S ATOM 554 CE MET A 37 13.850 -4.784 -16.651 1.00 0.00 C ATOM 0 H MET A 37 10.367 -5.135 -13.176 1.00 0.00 H new ATOM 0 HA MET A 37 12.591 -5.578 -11.566 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.719 -3.095 -13.072 1.00 0.00 H new ATOM 0 HB3 MET A 37 13.309 -3.321 -12.370 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.716 -5.280 -13.791 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.078 -5.217 -14.412 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.209 -4.297 -17.557 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.623 -5.450 -16.266 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.954 -5.362 -16.880 1.00 0.00 H new ATOM 564 N ILE A 38 10.498 -3.348 -10.263 1.00 0.00 N ATOM 565 CA ILE A 38 10.210 -2.670 -8.998 1.00 0.00 C ATOM 566 C ILE A 38 9.615 -3.610 -7.938 1.00 0.00 C ATOM 567 O ILE A 38 9.716 -3.299 -6.752 1.00 0.00 O ATOM 568 CB ILE A 38 9.378 -1.385 -9.175 1.00 0.00 C ATOM 569 CG1 ILE A 38 7.945 -1.662 -9.646 1.00 0.00 C ATOM 570 CG2 ILE A 38 10.098 -0.411 -10.119 1.00 0.00 C ATOM 571 CD1 ILE A 38 7.045 -0.426 -9.567 1.00 0.00 C ATOM 0 H ILE A 38 9.792 -3.220 -10.988 1.00 0.00 H new ATOM 0 HA ILE A 38 11.179 -2.350 -8.614 1.00 0.00 H new ATOM 0 HB ILE A 38 9.287 -0.922 -8.192 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.969 -2.023 -10.674 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.515 -2.458 -9.038 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.499 0.492 -10.235 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.070 -0.151 -9.701 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.236 -0.882 -11.092 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.044 -0.682 -9.913 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.995 -0.078 -8.535 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.455 0.364 -10.197 1.00 0.00 H new ATOM 583 N ALA A 39 8.986 -4.734 -8.313 1.00 0.00 N ATOM 584 CA ALA A 39 8.369 -5.662 -7.360 1.00 0.00 C ATOM 585 C ALA A 39 9.188 -5.901 -6.073 1.00 0.00 C ATOM 586 O ALA A 39 8.626 -5.727 -4.993 1.00 0.00 O ATOM 587 CB ALA A 39 7.894 -6.950 -8.043 1.00 0.00 C ATOM 0 H ALA A 39 8.892 -5.023 -9.287 1.00 0.00 H new ATOM 0 HA ALA A 39 7.475 -5.157 -6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.443 -7.610 -7.302 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.157 -6.706 -8.808 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.744 -7.451 -8.506 1.00 0.00 H new ATOM 593 N PRO A 40 10.486 -6.255 -6.123 1.00 0.00 N ATOM 594 CA PRO A 40 11.304 -6.402 -4.924 1.00 0.00 C ATOM 595 C PRO A 40 11.260 -5.149 -4.043 1.00 0.00 C ATOM 596 O PRO A 40 11.112 -5.248 -2.829 1.00 0.00 O ATOM 597 CB PRO A 40 12.732 -6.672 -5.411 1.00 0.00 C ATOM 598 CG PRO A 40 12.518 -7.282 -6.793 1.00 0.00 C ATOM 599 CD PRO A 40 11.293 -6.524 -7.298 1.00 0.00 C ATOM 0 HA PRO A 40 10.928 -7.216 -4.304 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.320 -5.756 -5.462 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.262 -7.355 -4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.382 -7.135 -7.441 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.338 -8.356 -6.740 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.583 -5.598 -7.794 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.739 -7.116 -8.026 1.00 0.00 H new ATOM 607 N ILE A 41 11.346 -3.960 -4.649 1.00 0.00 N ATOM 608 CA ILE A 41 11.273 -2.702 -3.921 1.00 0.00 C ATOM 609 C ILE A 41 9.904 -2.629 -3.244 1.00 0.00 C ATOM 610 O ILE A 41 9.821 -2.355 -2.050 1.00 0.00 O ATOM 611 CB ILE A 41 11.522 -1.486 -4.842 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.833 -1.636 -5.636 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.559 -0.207 -3.993 1.00 0.00 C ATOM 614 CD1 ILE A 41 13.051 -0.494 -6.634 1.00 0.00 C ATOM 0 H ILE A 41 11.468 -3.849 -5.656 1.00 0.00 H new ATOM 0 HA ILE A 41 12.061 -2.668 -3.169 1.00 0.00 H new ATOM 0 HB ILE A 41 10.708 -1.428 -5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.672 -1.672 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.822 -2.585 -6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.734 0.653 -4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.607 -0.085 -3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.362 -0.280 -3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.989 -0.650 -7.166 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.228 -0.473 -7.348 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.091 0.455 -6.098 1.00 0.00 H new ATOM 626 N LEU A 42 8.831 -2.901 -3.993 1.00 0.00 N ATOM 627 CA LEU A 42 7.484 -2.895 -3.430 1.00 0.00 C ATOM 628 C LEU A 42 7.390 -3.869 -2.247 1.00 0.00 C ATOM 629 O LEU A 42 6.786 -3.541 -1.231 1.00 0.00 O ATOM 630 CB LEU A 42 6.422 -3.205 -4.495 1.00 0.00 C ATOM 631 CG LEU A 42 6.436 -2.264 -5.712 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.303 -2.661 -6.664 1.00 0.00 C ATOM 633 CD2 LEU A 42 6.262 -0.796 -5.308 1.00 0.00 C ATOM 0 H LEU A 42 8.872 -3.127 -4.987 1.00 0.00 H new ATOM 0 HA LEU A 42 7.281 -1.890 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.564 -4.228 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.437 -3.160 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 42 7.406 -2.362 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.306 -1.998 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.449 -3.690 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.347 -2.578 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.278 -0.169 -6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.309 -0.671 -4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.075 -0.503 -4.643 1.00 0.00 H new ATOM 645 N ASP A 43 7.993 -5.057 -2.361 1.00 0.00 N ATOM 646 CA ASP A 43 8.005 -6.054 -1.294 1.00 0.00 C ATOM 647 C ASP A 43 8.731 -5.501 -0.066 1.00 0.00 C ATOM 648 O ASP A 43 8.218 -5.565 1.050 1.00 0.00 O ATOM 649 CB ASP A 43 8.671 -7.352 -1.774 1.00 0.00 C ATOM 650 CG ASP A 43 7.849 -8.136 -2.792 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.607 -8.003 -2.763 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.469 -8.903 -3.559 1.00 0.00 O ATOM 0 H ASP A 43 8.488 -5.352 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 43 6.975 -6.282 -1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.638 -7.110 -2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.864 -7.989 -0.911 1.00 0.00 H new ATOM 657 N GLU A 44 9.928 -4.950 -0.273 1.00 0.00 N ATOM 658 CA GLU A 44 10.720 -4.353 0.791 1.00 0.00 C ATOM 659 C GLU A 44 9.887 -3.282 1.495 1.00 0.00 C ATOM 660 O GLU A 44 9.756 -3.303 2.714 1.00 0.00 O ATOM 661 CB GLU A 44 12.017 -3.778 0.208 1.00 0.00 C ATOM 662 CG GLU A 44 12.954 -4.902 -0.261 1.00 0.00 C ATOM 663 CD GLU A 44 13.955 -4.413 -1.306 1.00 0.00 C ATOM 664 OE1 GLU A 44 14.452 -3.280 -1.133 1.00 0.00 O ATOM 665 OE2 GLU A 44 14.206 -5.180 -2.262 1.00 0.00 O ATOM 0 H GLU A 44 10.373 -4.908 -1.190 1.00 0.00 H new ATOM 0 HA GLU A 44 10.996 -5.107 1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.784 -3.121 -0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.520 -3.170 0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.493 -5.306 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.362 -5.717 -0.679 1.00 0.00 H new ATOM 672 N ILE A 45 9.291 -2.372 0.722 1.00 0.00 N ATOM 673 CA ILE A 45 8.420 -1.327 1.240 1.00 0.00 C ATOM 674 C ILE A 45 7.279 -1.956 2.042 1.00 0.00 C ATOM 675 O ILE A 45 7.017 -1.528 3.163 1.00 0.00 O ATOM 676 CB ILE A 45 7.912 -0.453 0.083 1.00 0.00 C ATOM 677 CG1 ILE A 45 9.037 0.405 -0.526 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.714 0.417 0.481 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.544 1.554 0.351 1.00 0.00 C ATOM 0 H ILE A 45 9.404 -2.344 -0.291 1.00 0.00 H new ATOM 0 HA ILE A 45 8.974 -0.678 1.918 1.00 0.00 H new ATOM 0 HB ILE A 45 7.564 -1.144 -0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.879 -0.246 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.682 0.821 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.397 1.013 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.891 -0.222 0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.001 1.079 1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.334 2.091 -0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.722 2.237 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.938 1.153 1.285 1.00 0.00 H new ATOM 691 N ALA A 46 6.602 -2.963 1.485 1.00 0.00 N ATOM 692 CA ALA A 46 5.504 -3.649 2.152 1.00 0.00 C ATOM 693 C ALA A 46 5.945 -4.145 3.529 1.00 0.00 C ATOM 694 O ALA A 46 5.213 -3.988 4.501 1.00 0.00 O ATOM 695 CB ALA A 46 4.968 -4.786 1.278 1.00 0.00 C ATOM 0 H ALA A 46 6.805 -3.324 0.553 1.00 0.00 H new ATOM 0 HA ALA A 46 4.686 -2.945 2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.148 -5.286 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.608 -4.380 0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.766 -5.503 1.084 1.00 0.00 H new ATOM 701 N ASP A 47 7.149 -4.717 3.621 1.00 0.00 N ATOM 702 CA ASP A 47 7.669 -5.165 4.904 1.00 0.00 C ATOM 703 C ASP A 47 7.956 -3.963 5.810 1.00 0.00 C ATOM 704 O ASP A 47 7.432 -3.877 6.920 1.00 0.00 O ATOM 705 CB ASP A 47 8.924 -6.021 4.704 1.00 0.00 C ATOM 706 CG ASP A 47 9.490 -6.464 6.048 1.00 0.00 C ATOM 707 OD1 ASP A 47 8.896 -7.393 6.637 1.00 0.00 O ATOM 708 OD2 ASP A 47 10.492 -5.849 6.474 1.00 0.00 O ATOM 0 H ASP A 47 7.771 -4.877 2.829 1.00 0.00 H new ATOM 0 HA ASP A 47 6.916 -5.784 5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.682 -6.895 4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.675 -5.452 4.156 1.00 0.00 H new ATOM 713 N GLU A 48 8.798 -3.038 5.349 1.00 0.00 N ATOM 714 CA GLU A 48 9.218 -1.857 6.091 1.00 0.00 C ATOM 715 C GLU A 48 8.039 -1.073 6.673 1.00 0.00 C ATOM 716 O GLU A 48 8.088 -0.642 7.823 1.00 0.00 O ATOM 717 CB GLU A 48 10.071 -0.977 5.168 1.00 0.00 C ATOM 718 CG GLU A 48 11.438 -1.615 4.870 1.00 0.00 C ATOM 719 CD GLU A 48 12.191 -0.883 3.762 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.566 -0.621 2.711 1.00 0.00 O ATOM 721 OE2 GLU A 48 13.388 -0.594 3.977 1.00 0.00 O ATOM 0 H GLU A 48 9.217 -3.095 4.421 1.00 0.00 H new ATOM 0 HA GLU A 48 9.808 -2.180 6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.538 -0.808 4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.219 -0.001 5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.042 -1.615 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.295 -2.657 4.582 1.00 0.00 H new ATOM 728 N TYR A 49 6.989 -0.881 5.876 1.00 0.00 N ATOM 729 CA TYR A 49 5.793 -0.141 6.255 1.00 0.00 C ATOM 730 C TYR A 49 4.644 -1.074 6.656 1.00 0.00 C ATOM 731 O TYR A 49 3.487 -0.651 6.620 1.00 0.00 O ATOM 732 CB TYR A 49 5.376 0.788 5.102 1.00 0.00 C ATOM 733 CG TYR A 49 6.289 1.972 4.848 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.498 1.803 4.148 1.00 0.00 C ATOM 735 CD2 TYR A 49 5.888 3.263 5.241 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.307 2.913 3.857 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.685 4.377 4.926 1.00 0.00 C ATOM 738 CZ TYR A 49 7.896 4.204 4.236 1.00 0.00 C ATOM 739 OH TYR A 49 8.666 5.290 3.947 1.00 0.00 O ATOM 0 H TYR A 49 6.949 -1.247 4.925 1.00 0.00 H new ATOM 0 HA TYR A 49 6.027 0.461 7.133 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.315 0.197 4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.373 1.163 5.307 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.805 0.816 3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.965 3.398 5.786 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.246 2.776 3.342 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.366 5.367 5.215 1.00 0.00 H new ATOM 0 HH TYR A 49 8.228 6.100 4.282 1.00 0.00 H new ATOM 749 N GLN A 50 4.915 -2.327 7.045 1.00 0.00 N ATOM 750 CA GLN A 50 3.847 -3.236 7.439 1.00 0.00 C ATOM 751 C GLN A 50 2.996 -2.604 8.546 1.00 0.00 C ATOM 752 O GLN A 50 3.529 -2.103 9.534 1.00 0.00 O ATOM 753 CB GLN A 50 4.421 -4.604 7.829 1.00 0.00 C ATOM 754 CG GLN A 50 5.230 -4.603 9.135 1.00 0.00 C ATOM 755 CD GLN A 50 5.978 -5.921 9.302 1.00 0.00 C ATOM 756 OE1 GLN A 50 5.534 -6.815 10.013 1.00 0.00 O ATOM 757 NE2 GLN A 50 7.114 -6.053 8.629 1.00 0.00 N ATOM 0 H GLN A 50 5.853 -2.724 7.093 1.00 0.00 H new ATOM 0 HA GLN A 50 3.184 -3.410 6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.600 -5.315 7.925 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.059 -4.961 7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.938 -3.774 9.130 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.563 -4.447 9.983 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.454 -5.288 8.047 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.648 -6.920 8.694 1.00 0.00 H new ATOM 766 N GLY A 51 1.674 -2.572 8.361 1.00 0.00 N ATOM 767 CA GLY A 51 0.757 -1.965 9.317 1.00 0.00 C ATOM 768 C GLY A 51 0.573 -0.459 9.099 1.00 0.00 C ATOM 769 O GLY A 51 -0.420 0.097 9.562 1.00 0.00 O ATOM 0 H GLY A 51 1.213 -2.968 7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.213 -2.458 9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.128 -2.137 10.327 1.00 0.00 H new ATOM 773 N LYS A 52 1.493 0.204 8.388 1.00 0.00 N ATOM 774 CA LYS A 52 1.417 1.631 8.095 1.00 0.00 C ATOM 775 C LYS A 52 0.868 1.832 6.684 1.00 0.00 C ATOM 776 O LYS A 52 0.005 2.679 6.466 1.00 0.00 O ATOM 777 CB LYS A 52 2.808 2.273 8.198 1.00 0.00 C ATOM 778 CG LYS A 52 3.414 2.164 9.602 1.00 0.00 C ATOM 779 CD LYS A 52 4.857 2.692 9.639 1.00 0.00 C ATOM 780 CE LYS A 52 4.966 4.173 9.252 1.00 0.00 C ATOM 781 NZ LYS A 52 6.346 4.665 9.412 1.00 0.00 N ATOM 0 H LYS A 52 2.320 -0.246 7.997 1.00 0.00 H new ATOM 0 HA LYS A 52 0.755 2.105 8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.477 1.796 7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.739 3.324 7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.802 2.726 10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.399 1.123 9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.263 2.554 10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.472 2.099 8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.647 4.306 8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.292 4.764 9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.390 5.669 9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.640 4.559 10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.984 4.115 8.802 1.00 0.00 H new ATOM 795 N LEU A 53 1.385 1.057 5.727 1.00 0.00 N ATOM 796 CA LEU A 53 1.005 1.117 4.327 1.00 0.00 C ATOM 797 C LEU A 53 0.681 -0.295 3.854 1.00 0.00 C ATOM 798 O LEU A 53 1.468 -1.215 4.062 1.00 0.00 O ATOM 799 CB LEU A 53 2.187 1.669 3.522 1.00 0.00 C ATOM 800 CG LEU A 53 1.858 1.926 2.045 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.104 3.249 1.885 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.170 1.976 1.263 1.00 0.00 C ATOM 0 H LEU A 53 2.099 0.354 5.918 1.00 0.00 H new ATOM 0 HA LEU A 53 0.136 1.761 4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.523 2.600 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.018 0.966 3.584 1.00 0.00 H new ATOM 0 HG LEU A 53 1.222 1.126 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.879 3.415 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.174 3.209 2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.721 4.067 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.959 2.158 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.795 2.780 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.693 1.026 1.369 1.00 0.00 H new ATOM 814 N THR A 54 -0.460 -0.459 3.190 1.00 0.00 N ATOM 815 CA THR A 54 -0.877 -1.723 2.617 1.00 0.00 C ATOM 816 C THR A 54 -0.536 -1.670 1.127 1.00 0.00 C ATOM 817 O THR A 54 -1.211 -1.002 0.345 1.00 0.00 O ATOM 818 CB THR A 54 -2.366 -1.908 2.914 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.533 -2.037 4.311 1.00 0.00 O ATOM 820 CG2 THR A 54 -2.966 -3.141 2.232 1.00 0.00 C ATOM 0 H THR A 54 -1.127 0.298 3.036 1.00 0.00 H new ATOM 0 HA THR A 54 -0.367 -2.588 3.041 1.00 0.00 H new ATOM 0 HB THR A 54 -2.888 -1.035 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.484 -2.155 4.517 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.024 -3.216 2.482 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.854 -3.050 1.152 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.447 -4.036 2.576 1.00 0.00 H new ATOM 828 N VAL A 55 0.530 -2.356 0.719 1.00 0.00 N ATOM 829 CA VAL A 55 0.934 -2.369 -0.676 1.00 0.00 C ATOM 830 C VAL A 55 0.029 -3.358 -1.409 1.00 0.00 C ATOM 831 O VAL A 55 -0.282 -4.433 -0.892 1.00 0.00 O ATOM 832 CB VAL A 55 2.420 -2.739 -0.789 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.893 -2.738 -2.247 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.299 -1.746 -0.021 1.00 0.00 C ATOM 0 H VAL A 55 1.125 -2.907 1.337 1.00 0.00 H new ATOM 0 HA VAL A 55 0.825 -1.385 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 55 2.516 -3.739 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.949 -3.004 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.314 -3.464 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.753 -1.745 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.345 -2.034 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.159 -0.745 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.019 -1.751 1.032 1.00 0.00 H new ATOM 844 N ALA A 56 -0.407 -3.000 -2.615 1.00 0.00 N ATOM 845 CA ALA A 56 -1.271 -3.820 -3.436 1.00 0.00 C ATOM 846 C ALA A 56 -0.783 -3.775 -4.880 1.00 0.00 C ATOM 847 O ALA A 56 -0.209 -2.777 -5.312 1.00 0.00 O ATOM 848 CB ALA A 56 -2.710 -3.321 -3.312 1.00 0.00 C ATOM 0 H ALA A 56 -0.160 -2.111 -3.051 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.244 -4.857 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.363 -3.937 -3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.029 -3.384 -2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.766 -2.285 -3.646 1.00 0.00 H new ATOM 854 N LYS A 57 -1.018 -4.848 -5.630 1.00 0.00 N ATOM 855 CA LYS A 57 -0.692 -4.967 -7.038 1.00 0.00 C ATOM 856 C LYS A 57 -1.986 -5.365 -7.747 1.00 0.00 C ATOM 857 O LYS A 57 -2.698 -6.240 -7.260 1.00 0.00 O ATOM 858 CB LYS A 57 0.405 -6.023 -7.239 1.00 0.00 C ATOM 859 CG LYS A 57 1.818 -5.458 -7.040 1.00 0.00 C ATOM 860 CD LYS A 57 2.871 -6.530 -6.689 1.00 0.00 C ATOM 861 CE LYS A 57 3.439 -7.364 -7.845 1.00 0.00 C ATOM 862 NZ LYS A 57 2.403 -7.958 -8.706 1.00 0.00 N ATOM 0 H LYS A 57 -1.458 -5.688 -5.254 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.306 -4.032 -7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.245 -6.844 -6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.323 -6.439 -8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.126 -4.944 -7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.793 -4.712 -6.246 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.704 -6.034 -6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.428 -7.214 -5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.088 -6.733 -8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.061 -8.160 -7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.803 -8.766 -9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.608 -8.283 -8.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.065 -7.246 -9.384 1.00 0.00 H new ATOM 876 N LEU A 58 -2.299 -4.735 -8.884 1.00 0.00 N ATOM 877 CA LEU A 58 -3.491 -5.055 -9.663 1.00 0.00 C ATOM 878 C LEU A 58 -3.080 -5.361 -11.096 1.00 0.00 C ATOM 879 O LEU A 58 -2.459 -4.526 -11.750 1.00 0.00 O ATOM 880 CB LEU A 58 -4.509 -3.915 -9.574 1.00 0.00 C ATOM 881 CG LEU A 58 -5.831 -4.287 -10.273 1.00 0.00 C ATOM 882 CD1 LEU A 58 -6.984 -3.640 -9.515 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.882 -3.794 -11.725 1.00 0.00 C ATOM 0 H LEU A 58 -1.731 -3.990 -9.287 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.981 -5.940 -9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.703 -3.679 -8.528 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.093 -3.017 -10.032 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.906 -5.374 -10.278 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.927 -3.895 -9.999 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.994 -4.004 -8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.858 -2.557 -9.515 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.833 -4.081 -12.174 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.785 -2.709 -11.744 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.065 -4.242 -12.290 1.00 0.00 H new ATOM 895 N ASN A 59 -3.415 -6.561 -11.578 1.00 0.00 N ATOM 896 CA ASN A 59 -3.078 -6.978 -12.929 1.00 0.00 C ATOM 897 C ASN A 59 -4.163 -6.517 -13.905 1.00 0.00 C ATOM 898 O ASN A 59 -5.287 -7.023 -13.864 1.00 0.00 O ATOM 899 CB ASN A 59 -2.897 -8.492 -12.987 1.00 0.00 C ATOM 900 CG ASN A 59 -2.438 -8.874 -14.386 1.00 0.00 C ATOM 901 OD1 ASN A 59 -3.235 -8.892 -15.316 1.00 0.00 O ATOM 902 ND2 ASN A 59 -1.149 -9.140 -14.569 1.00 0.00 N ATOM 0 H ASN A 59 -3.925 -7.263 -11.041 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.135 -6.515 -13.220 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.164 -8.814 -12.248 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.834 -8.994 -12.746 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.802 -9.366 -15.501 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.506 -9.118 -13.777 1.00 0.00 H new ATOM 909 N ILE A 60 -3.837 -5.557 -14.775 1.00 0.00 N ATOM 910 CA ILE A 60 -4.794 -5.000 -15.727 1.00 0.00 C ATOM 911 C ILE A 60 -5.233 -6.005 -16.795 1.00 0.00 C ATOM 912 O ILE A 60 -6.347 -5.906 -17.293 1.00 0.00 O ATOM 913 CB ILE A 60 -4.264 -3.707 -16.372 1.00 0.00 C ATOM 914 CG1 ILE A 60 -3.083 -3.989 -17.317 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.921 -2.681 -15.280 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.569 -2.749 -18.047 1.00 0.00 C ATOM 0 H ILE A 60 -2.905 -5.147 -14.837 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.683 -4.753 -15.147 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.047 -3.276 -16.996 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.266 -4.426 -16.743 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.388 -4.732 -18.053 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.546 -1.768 -15.743 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.816 -2.453 -14.701 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.157 -3.093 -14.621 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.737 -3.027 -18.694 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.371 -2.323 -18.650 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.232 -2.012 -17.319 1.00 0.00 H new ATOM 928 N ASP A 61 -4.385 -6.973 -17.165 1.00 0.00 N ATOM 929 CA ASP A 61 -4.755 -7.947 -18.191 1.00 0.00 C ATOM 930 C ASP A 61 -5.946 -8.757 -17.685 1.00 0.00 C ATOM 931 O ASP A 61 -6.940 -8.945 -18.380 1.00 0.00 O ATOM 932 CB ASP A 61 -3.592 -8.888 -18.536 1.00 0.00 C ATOM 933 CG ASP A 61 -2.276 -8.163 -18.792 1.00 0.00 C ATOM 934 OD1 ASP A 61 -2.215 -7.395 -19.777 1.00 0.00 O ATOM 935 OD2 ASP A 61 -1.352 -8.383 -17.980 1.00 0.00 O ATOM 0 H ASP A 61 -3.452 -7.099 -16.774 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.015 -7.409 -19.102 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.454 -9.596 -17.719 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.855 -9.469 -19.420 1.00 0.00 H new ATOM 940 N GLN A 62 -5.820 -9.222 -16.443 1.00 0.00 N ATOM 941 CA GLN A 62 -6.835 -9.989 -15.746 1.00 0.00 C ATOM 942 C GLN A 62 -8.026 -9.096 -15.396 1.00 0.00 C ATOM 943 O GLN A 62 -9.154 -9.575 -15.330 1.00 0.00 O ATOM 944 CB GLN A 62 -6.213 -10.596 -14.483 1.00 0.00 C ATOM 945 CG GLN A 62 -5.123 -11.621 -14.828 1.00 0.00 C ATOM 946 CD GLN A 62 -4.239 -11.924 -13.622 1.00 0.00 C ATOM 947 OE1 GLN A 62 -4.727 -12.114 -12.514 1.00 0.00 O ATOM 948 NE2 GLN A 62 -2.923 -11.943 -13.814 1.00 0.00 N ATOM 0 H GLN A 62 -4.982 -9.067 -15.883 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.201 -10.792 -16.387 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.786 -9.803 -13.869 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.990 -11.076 -13.888 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.587 -12.542 -15.181 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.509 -11.240 -15.644 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.541 -11.782 -14.746 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.296 -12.119 -13.029 1.00 0.00 H new ATOM 957 N ASN A 63 -7.775 -7.803 -15.152 1.00 0.00 N ATOM 958 CA ASN A 63 -8.799 -6.838 -14.755 1.00 0.00 C ATOM 959 C ASN A 63 -8.798 -5.601 -15.660 1.00 0.00 C ATOM 960 O ASN A 63 -8.368 -4.535 -15.219 1.00 0.00 O ATOM 961 CB ASN A 63 -8.543 -6.421 -13.303 1.00 0.00 C ATOM 962 CG ASN A 63 -8.480 -7.611 -12.360 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.495 -8.018 -11.804 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.285 -8.160 -12.163 1.00 0.00 N ATOM 0 H ASN A 63 -6.842 -7.397 -15.227 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.777 -7.310 -14.851 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.606 -5.867 -13.247 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.333 -5.745 -12.978 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.186 -8.952 -11.528 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.467 -7.789 -12.647 1.00 0.00 H new ATOM 971 N PRO A 64 -9.283 -5.705 -16.910 1.00 0.00 N ATOM 972 CA PRO A 64 -9.310 -4.583 -17.837 1.00 0.00 C ATOM 973 C PRO A 64 -10.000 -3.350 -17.251 1.00 0.00 C ATOM 974 O PRO A 64 -9.409 -2.276 -17.217 1.00 0.00 O ATOM 975 CB PRO A 64 -10.016 -5.094 -19.098 1.00 0.00 C ATOM 976 CG PRO A 64 -9.766 -6.600 -19.048 1.00 0.00 C ATOM 977 CD PRO A 64 -9.803 -6.901 -17.550 1.00 0.00 C ATOM 0 HA PRO A 64 -8.298 -4.245 -18.061 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.081 -4.861 -19.086 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.602 -4.646 -20.001 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.531 -7.155 -19.591 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.806 -6.865 -19.490 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.818 -7.117 -17.216 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.196 -7.773 -17.308 1.00 0.00 H new ATOM 985 N GLY A 65 -11.252 -3.511 -16.810 1.00 0.00 N ATOM 986 CA GLY A 65 -12.121 -2.464 -16.277 1.00 0.00 C ATOM 987 C GLY A 65 -11.425 -1.393 -15.437 1.00 0.00 C ATOM 988 O GLY A 65 -11.660 -0.199 -15.628 1.00 0.00 O ATOM 0 H GLY A 65 -11.707 -4.424 -16.817 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.625 -1.976 -17.111 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.894 -2.933 -15.668 1.00 0.00 H new ATOM 992 N THR A 66 -10.589 -1.799 -14.483 1.00 0.00 N ATOM 993 CA THR A 66 -9.907 -0.890 -13.580 1.00 0.00 C ATOM 994 C THR A 66 -8.967 0.086 -14.306 1.00 0.00 C ATOM 995 O THR A 66 -8.742 1.197 -13.823 1.00 0.00 O ATOM 996 CB THR A 66 -9.196 -1.723 -12.494 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.660 -3.063 -12.517 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.471 -1.145 -11.104 1.00 0.00 C ATOM 0 H THR A 66 -10.367 -2.781 -14.318 1.00 0.00 H new ATOM 0 HA THR A 66 -10.642 -0.241 -13.104 1.00 0.00 H new ATOM 0 HB THR A 66 -8.126 -1.693 -12.702 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.592 -3.092 -12.217 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.961 -1.747 -10.352 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.105 -0.119 -11.057 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.544 -1.156 -10.911 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.420 -0.310 -15.460 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.492 0.519 -16.220 1.00 0.00 C ATOM 1008 C ALA A 67 -8.088 1.875 -16.640 1.00 0.00 C ATOM 1009 O ALA A 67 -7.586 2.900 -16.181 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.869 -0.266 -17.380 1.00 0.00 C ATOM 0 H ALA A 67 -8.611 -1.215 -15.890 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.676 0.783 -15.548 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.182 0.379 -17.928 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.325 -1.125 -16.987 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.656 -0.610 -18.051 1.00 0.00 H new ATOM 1016 N PRO A 68 -9.129 1.944 -17.489 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.709 3.218 -17.887 1.00 0.00 C ATOM 1018 C PRO A 68 -10.227 3.993 -16.675 1.00 0.00 C ATOM 1019 O PRO A 68 -9.998 5.199 -16.592 1.00 0.00 O ATOM 1020 CB PRO A 68 -10.819 2.894 -18.892 1.00 0.00 C ATOM 1021 CG PRO A 68 -11.182 1.446 -18.574 1.00 0.00 C ATOM 1022 CD PRO A 68 -9.843 0.857 -18.136 1.00 0.00 C ATOM 0 HA PRO A 68 -8.964 3.868 -18.347 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.675 3.558 -18.771 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.473 3.004 -19.920 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.932 1.380 -17.786 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.587 0.929 -19.444 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.988 0.021 -17.451 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.285 0.476 -18.991 1.00 0.00 H new ATOM 1030 N LYS A 69 -10.901 3.319 -15.732 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.432 3.968 -14.536 1.00 0.00 C ATOM 1032 C LYS A 69 -10.377 4.835 -13.845 1.00 0.00 C ATOM 1033 O LYS A 69 -10.676 5.965 -13.462 1.00 0.00 O ATOM 1034 CB LYS A 69 -12.015 2.936 -13.561 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.346 2.365 -14.076 1.00 0.00 C ATOM 1036 CD LYS A 69 -14.125 1.618 -12.983 1.00 0.00 C ATOM 1037 CE LYS A 69 -13.369 0.391 -12.462 1.00 0.00 C ATOM 1038 NZ LYS A 69 -14.186 -0.389 -11.518 1.00 0.00 N ATOM 0 H LYS A 69 -11.090 2.318 -15.780 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.238 4.627 -14.857 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.301 2.125 -13.418 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.169 3.400 -12.587 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.960 3.177 -14.465 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.150 1.687 -14.907 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.325 2.297 -12.154 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.091 1.305 -13.379 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.078 -0.241 -13.301 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.450 0.711 -11.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.787 -1.345 -11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.188 0.081 -10.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.161 -0.455 -11.875 1.00 0.00 H new ATOM 1130 N ILE A 75 2.095 1.787 -17.284 1.00 0.00 N ATOM 1131 CA ILE A 75 2.384 1.020 -16.076 1.00 0.00 C ATOM 1132 C ILE A 75 3.911 0.880 -15.965 1.00 0.00 C ATOM 1133 O ILE A 75 4.571 0.915 -17.006 1.00 0.00 O ATOM 1134 CB ILE A 75 1.695 -0.358 -16.137 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.980 -1.082 -17.467 1.00 0.00 C ATOM 1136 CG2 ILE A 75 0.184 -0.240 -15.895 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.302 -2.448 -17.520 1.00 0.00 C ATOM 0 HA ILE A 75 1.997 1.530 -15.194 1.00 0.00 H new ATOM 0 HB ILE A 75 2.120 -0.961 -15.335 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.630 -0.469 -18.298 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.056 -1.204 -17.592 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.271 -1.229 -15.945 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.006 0.192 -14.910 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.258 0.401 -16.658 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.526 -2.928 -18.472 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.672 -3.070 -16.704 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.224 -2.323 -17.421 1.00 0.00 H new ATOM 1149 N PRO A 76 4.499 0.721 -14.764 1.00 0.00 N ATOM 1150 CA PRO A 76 3.850 0.682 -13.463 1.00 0.00 C ATOM 1151 C PRO A 76 3.263 2.050 -13.127 1.00 0.00 C ATOM 1152 O PRO A 76 3.860 3.074 -13.446 1.00 0.00 O ATOM 1153 CB PRO A 76 4.946 0.321 -12.453 1.00 0.00 C ATOM 1154 CG PRO A 76 6.227 0.811 -13.128 1.00 0.00 C ATOM 1155 CD PRO A 76 5.936 0.580 -14.610 1.00 0.00 C ATOM 0 HA PRO A 76 3.034 -0.041 -13.446 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.785 0.812 -11.493 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.978 -0.752 -12.261 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.422 1.862 -12.913 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.100 0.250 -12.795 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.467 1.303 -15.229 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.266 -0.411 -14.922 1.00 0.00 H new ATOM 1163 N THR A 77 2.092 2.048 -12.495 1.00 0.00 N ATOM 1164 CA THR A 77 1.391 3.252 -12.086 1.00 0.00 C ATOM 1165 C THR A 77 0.922 2.997 -10.661 1.00 0.00 C ATOM 1166 O THR A 77 0.211 2.024 -10.414 1.00 0.00 O ATOM 1167 CB THR A 77 0.278 3.560 -13.094 1.00 0.00 C ATOM 1168 OG1 THR A 77 0.884 3.999 -14.289 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.662 4.658 -12.603 1.00 0.00 C ATOM 0 H THR A 77 1.598 1.190 -12.250 1.00 0.00 H new ATOM 0 HA THR A 77 2.012 4.148 -12.083 1.00 0.00 H new ATOM 0 HB THR A 77 -0.311 2.654 -13.238 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.191 4.201 -14.952 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.433 4.839 -13.352 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.130 4.346 -11.669 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.096 5.574 -12.436 1.00 0.00 H new ATOM 1177 N LEU A 78 1.380 3.836 -9.729 1.00 0.00 N ATOM 1178 CA LEU A 78 1.167 3.707 -8.302 1.00 0.00 C ATOM 1179 C LEU A 78 0.127 4.732 -7.856 1.00 0.00 C ATOM 1180 O LEU A 78 0.394 5.927 -7.958 1.00 0.00 O ATOM 1181 CB LEU A 78 2.500 3.955 -7.572 1.00 0.00 C ATOM 1182 CG LEU A 78 3.728 3.240 -8.166 1.00 0.00 C ATOM 1183 CD1 LEU A 78 4.961 3.556 -7.312 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.534 1.724 -8.223 1.00 0.00 C ATOM 0 H LEU A 78 1.934 4.658 -9.969 1.00 0.00 H new ATOM 0 HA LEU A 78 0.807 2.706 -8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.695 5.027 -7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.388 3.644 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 78 3.863 3.601 -9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.832 3.051 -7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.133 4.632 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.796 3.209 -6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.423 1.259 -8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.370 1.340 -7.216 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.670 1.491 -8.845 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.033 4.290 -7.360 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.078 5.167 -6.833 1.00 0.00 C ATOM 1198 C LEU A 79 -2.148 4.945 -5.324 1.00 0.00 C ATOM 1199 O LEU A 79 -2.376 3.814 -4.890 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.446 4.847 -7.449 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.735 5.537 -8.789 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -2.835 5.041 -9.918 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.204 5.345 -9.165 1.00 0.00 C ATOM 0 H LEU A 79 -1.274 3.300 -7.314 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.836 6.201 -7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.520 3.769 -7.590 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.222 5.130 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.519 6.597 -8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.086 5.565 -10.840 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.793 5.233 -9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.983 3.970 -10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.403 5.837 -10.117 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.421 4.280 -9.254 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.837 5.780 -8.392 1.00 0.00 H new ATOM 1215 N LEU A 80 -1.964 6.003 -4.528 1.00 0.00 N ATOM 1216 CA LEU A 80 -2.013 5.917 -3.074 1.00 0.00 C ATOM 1217 C LEU A 80 -3.395 6.356 -2.590 1.00 0.00 C ATOM 1218 O LEU A 80 -3.695 7.546 -2.580 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.868 6.749 -2.484 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.739 6.684 -0.951 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -1.143 5.344 -0.324 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.730 6.925 -0.596 1.00 0.00 C ATOM 0 H LEU A 80 -1.777 6.942 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.870 4.892 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.070 6.414 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.006 7.789 -2.778 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.422 7.436 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.018 5.396 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.186 5.132 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.512 4.550 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.854 6.885 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.347 6.156 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.036 7.906 -0.960 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.225 5.391 -2.187 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.579 5.598 -1.696 1.00 0.00 C ATOM 1236 C PHE A 81 -5.586 5.675 -0.171 1.00 0.00 C ATOM 1237 O PHE A 81 -5.185 4.715 0.488 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.469 4.429 -2.135 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.792 4.399 -3.617 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.878 3.825 -4.519 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.054 4.822 -4.079 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.233 3.656 -5.868 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.390 4.690 -5.437 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.466 4.134 -6.336 1.00 0.00 C ATOM 0 H PHE A 81 -3.956 4.407 -2.196 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.958 6.534 -2.107 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.977 3.495 -1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.403 4.471 -1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.903 3.514 -4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.765 5.249 -3.387 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.556 3.157 -6.545 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.358 5.016 -5.789 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.704 4.074 -7.388 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.829 7.950 -0.897 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.435 9.148 -1.616 1.00 0.00 C ATOM 1299 C GLU A 85 -8.015 8.989 -2.154 1.00 0.00 C ATOM 1300 O GLU A 85 -7.088 8.743 -1.383 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.528 10.364 -0.682 1.00 0.00 C ATOM 1302 CG GLU A 85 -10.900 10.491 -0.002 1.00 0.00 C ATOM 1303 CD GLU A 85 -12.046 10.519 -1.009 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -12.096 11.503 -1.779 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -12.841 9.556 -1.001 1.00 0.00 O ATOM 0 HA GLU A 85 -10.107 9.303 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.755 10.289 0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.325 11.270 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.042 9.655 0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.923 11.402 0.597 1.00 0.00 H new ATOM 1312 N VAL A 86 -7.830 9.144 -3.467 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.505 9.099 -4.067 1.00 0.00 C ATOM 1314 C VAL A 86 -5.731 10.318 -3.554 1.00 0.00 C ATOM 1315 O VAL A 86 -6.049 11.449 -3.915 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.613 9.084 -5.602 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.223 9.101 -6.248 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.344 7.823 -6.081 1.00 0.00 C ATOM 0 H VAL A 86 -8.587 9.302 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.975 8.189 -3.788 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.169 9.974 -5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.326 9.090 -7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.691 10.002 -5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.662 8.223 -5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.410 7.832 -7.169 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.794 6.939 -5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.348 7.801 -5.657 1.00 0.00 H new ATOM 1328 N ALA A 87 -4.729 10.091 -2.707 1.00 0.00 N ATOM 1329 CA ALA A 87 -3.917 11.142 -2.114 1.00 0.00 C ATOM 1330 C ALA A 87 -2.875 11.623 -3.122 1.00 0.00 C ATOM 1331 O ALA A 87 -2.661 12.825 -3.263 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.251 10.611 -0.841 1.00 0.00 C ATOM 0 H ALA A 87 -4.457 9.154 -2.411 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.546 11.991 -1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.642 11.397 -0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.018 10.299 -0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.619 9.759 -1.090 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.247 10.691 -3.844 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.266 11.008 -4.869 1.00 0.00 C ATOM 1340 C ALA A 88 -1.126 9.823 -5.816 1.00 0.00 C ATOM 1341 O ALA A 88 -1.529 8.703 -5.485 1.00 0.00 O ATOM 1342 CB ALA A 88 0.085 11.359 -4.242 1.00 0.00 C ATOM 0 H ALA A 88 -2.410 9.691 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.607 11.879 -5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.802 11.592 -5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.031 12.224 -3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.448 10.511 -3.661 1.00 0.00 H new ATOM 1348 N THR A 89 -0.550 10.083 -6.992 1.00 0.00 N ATOM 1349 CA THR A 89 -0.343 9.101 -8.039 1.00 0.00 C ATOM 1350 C THR A 89 1.050 9.281 -8.632 1.00 0.00 C ATOM 1351 O THR A 89 1.433 10.428 -8.870 1.00 0.00 O ATOM 1352 CB THR A 89 -1.391 9.316 -9.141 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.235 10.591 -9.738 1.00 0.00 O ATOM 1354 CG2 THR A 89 -2.810 9.264 -8.575 1.00 0.00 C ATOM 0 H THR A 89 -0.208 11.011 -7.241 1.00 0.00 H new ATOM 0 HA THR A 89 -0.438 8.097 -7.626 1.00 0.00 H new ATOM 0 HB THR A 89 -1.242 8.520 -9.871 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.336 10.932 -9.550 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.529 9.420 -9.380 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.984 8.290 -8.117 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.931 10.045 -7.824 1.00 0.00 H new ATOM 1362 N LYS A 90 1.774 8.197 -8.917 1.00 0.00 N ATOM 1363 CA LYS A 90 3.080 8.256 -9.558 1.00 0.00 C ATOM 1364 C LYS A 90 3.083 7.274 -10.727 1.00 0.00 C ATOM 1365 O LYS A 90 2.846 6.086 -10.532 1.00 0.00 O ATOM 1366 CB LYS A 90 4.182 7.967 -8.524 1.00 0.00 C ATOM 1367 CG LYS A 90 5.571 8.435 -8.984 1.00 0.00 C ATOM 1368 CD LYS A 90 6.285 7.418 -9.887 1.00 0.00 C ATOM 1369 CE LYS A 90 7.570 7.998 -10.486 1.00 0.00 C ATOM 1370 NZ LYS A 90 7.289 9.018 -11.510 1.00 0.00 N ATOM 0 H LYS A 90 1.464 7.248 -8.706 1.00 0.00 H new ATOM 0 HA LYS A 90 3.284 9.251 -9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.931 8.460 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.213 6.896 -8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.470 9.379 -9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.190 8.630 -8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.523 6.524 -9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.615 7.111 -10.690 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.174 8.438 -9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.160 7.194 -10.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.179 9.311 -11.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.651 8.622 -12.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.839 9.843 -11.064 1.00 0.00 H new ATOM 1384 N VAL A 91 3.351 7.771 -11.940 1.00 0.00 N ATOM 1385 CA VAL A 91 3.424 6.975 -13.157 1.00 0.00 C ATOM 1386 C VAL A 91 4.900 6.710 -13.455 1.00 0.00 C ATOM 1387 O VAL A 91 5.703 7.643 -13.437 1.00 0.00 O ATOM 1388 CB VAL A 91 2.745 7.731 -14.315 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.826 6.934 -15.624 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.267 8.003 -14.001 1.00 0.00 C ATOM 0 H VAL A 91 3.526 8.763 -12.100 1.00 0.00 H new ATOM 0 HA VAL A 91 2.903 6.026 -13.035 1.00 0.00 H new ATOM 0 HB VAL A 91 3.277 8.675 -14.432 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.338 7.494 -16.422 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.871 6.767 -15.884 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.326 5.974 -15.497 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.810 8.538 -14.834 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.747 7.057 -13.849 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.192 8.608 -13.097 1.00 0.00 H new ATOM 1400 N GLY A 92 5.259 5.453 -13.724 1.00 0.00 N ATOM 1401 CA GLY A 92 6.620 5.042 -14.027 1.00 0.00 C ATOM 1402 C GLY A 92 7.367 4.576 -12.778 1.00 0.00 C ATOM 1403 O GLY A 92 6.933 4.806 -11.649 1.00 0.00 O ATOM 0 H GLY A 92 4.593 4.680 -13.736 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.601 4.236 -14.760 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.157 5.874 -14.482 1.00 0.00 H new ATOM 1407 N ALA A 93 8.502 3.904 -12.990 1.00 0.00 N ATOM 1408 CA ALA A 93 9.348 3.407 -11.915 1.00 0.00 C ATOM 1409 C ALA A 93 10.068 4.569 -11.219 1.00 0.00 C ATOM 1410 O ALA A 93 10.115 5.681 -11.741 1.00 0.00 O ATOM 1411 CB ALA A 93 10.351 2.399 -12.484 1.00 0.00 C ATOM 0 H ALA A 93 8.857 3.691 -13.922 1.00 0.00 H new ATOM 0 HA ALA A 93 8.731 2.906 -11.169 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.986 2.025 -11.681 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.813 1.567 -12.938 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.969 2.887 -13.238 1.00 0.00 H new ATOM 1417 N LEU A 94 10.645 4.303 -10.045 1.00 0.00 N ATOM 1418 CA LEU A 94 11.373 5.270 -9.240 1.00 0.00 C ATOM 1419 C LEU A 94 12.274 4.513 -8.269 1.00 0.00 C ATOM 1420 O LEU A 94 12.132 3.298 -8.124 1.00 0.00 O ATOM 1421 CB LEU A 94 10.408 6.227 -8.520 1.00 0.00 C ATOM 1422 CG LEU A 94 9.585 5.624 -7.366 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.699 6.729 -6.778 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.694 4.447 -7.787 1.00 0.00 C ATOM 0 H LEU A 94 10.614 3.376 -9.620 1.00 0.00 H new ATOM 0 HA LEU A 94 11.997 5.895 -9.879 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.985 7.064 -8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.716 6.634 -9.257 1.00 0.00 H new ATOM 0 HG LEU A 94 10.295 5.231 -6.638 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.107 6.323 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.326 7.539 -6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.033 7.112 -7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.146 4.077 -6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.988 4.779 -8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.314 3.648 -8.193 1.00 0.00 H new ATOM 1436 N SER A 95 13.201 5.216 -7.617 1.00 0.00 N ATOM 1437 CA SER A 95 14.118 4.599 -6.675 1.00 0.00 C ATOM 1438 C SER A 95 13.405 4.284 -5.360 1.00 0.00 C ATOM 1439 O SER A 95 12.382 4.887 -5.033 1.00 0.00 O ATOM 1440 CB SER A 95 15.308 5.537 -6.430 1.00 0.00 C ATOM 1441 OG SER A 95 14.885 6.728 -5.785 1.00 0.00 O ATOM 0 H SER A 95 13.332 6.221 -7.730 1.00 0.00 H new ATOM 0 HA SER A 95 14.482 3.661 -7.094 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.055 5.032 -5.818 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.786 5.782 -7.379 1.00 0.00 H new ATOM 0 HG SER A 95 15.658 7.312 -5.636 1.00 0.00 H new ATOM 1447 N LYS A 96 13.981 3.367 -4.577 1.00 0.00 N ATOM 1448 CA LYS A 96 13.469 3.033 -3.257 1.00 0.00 C ATOM 1449 C LYS A 96 13.386 4.317 -2.421 1.00 0.00 C ATOM 1450 O LYS A 96 12.392 4.557 -1.745 1.00 0.00 O ATOM 1451 CB LYS A 96 14.373 1.966 -2.624 1.00 0.00 C ATOM 1452 CG LYS A 96 13.849 1.477 -1.267 1.00 0.00 C ATOM 1453 CD LYS A 96 14.663 0.260 -0.804 1.00 0.00 C ATOM 1454 CE LYS A 96 14.195 -0.214 0.575 1.00 0.00 C ATOM 1455 NZ LYS A 96 14.918 -1.421 1.010 1.00 0.00 N ATOM 0 H LYS A 96 14.812 2.840 -4.845 1.00 0.00 H new ATOM 0 HA LYS A 96 12.465 2.613 -3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.458 1.118 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.376 2.374 -2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.921 2.276 -0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.795 1.212 -1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.559 -0.549 -1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.721 0.518 -0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.345 0.583 1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.125 -0.421 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.539 -1.742 1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.796 -2.173 0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.930 -1.202 1.112 1.00 0.00 H new ATOM 1469 N GLY A 97 14.421 5.159 -2.506 1.00 0.00 N ATOM 1470 CA GLY A 97 14.466 6.438 -1.815 1.00 0.00 C ATOM 1471 C GLY A 97 13.288 7.325 -2.222 1.00 0.00 C ATOM 1472 O GLY A 97 12.511 7.744 -1.365 1.00 0.00 O ATOM 0 H GLY A 97 15.254 4.965 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.446 6.274 -0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.403 6.945 -2.043 1.00 0.00 H new ATOM 1476 N GLN A 98 13.131 7.596 -3.523 1.00 0.00 N ATOM 1477 CA GLN A 98 12.028 8.423 -4.005 1.00 0.00 C ATOM 1478 C GLN A 98 10.684 7.844 -3.562 1.00 0.00 C ATOM 1479 O GLN A 98 9.802 8.584 -3.123 1.00 0.00 O ATOM 1480 CB GLN A 98 12.111 8.582 -5.527 1.00 0.00 C ATOM 1481 CG GLN A 98 13.284 9.477 -5.952 1.00 0.00 C ATOM 1482 CD GLN A 98 12.977 10.962 -5.772 1.00 0.00 C ATOM 1483 OE1 GLN A 98 12.502 11.613 -6.698 1.00 0.00 O ATOM 1484 NE2 GLN A 98 13.240 11.523 -4.594 1.00 0.00 N ATOM 0 H GLN A 98 13.753 7.254 -4.255 1.00 0.00 H new ATOM 0 HA GLN A 98 12.110 9.416 -3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.219 7.600 -5.988 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.178 9.007 -5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.166 9.217 -5.367 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.526 9.283 -6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 98 13.635 10.962 -3.839 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.047 12.514 -4.446 1.00 0.00 H new ATOM 1493 N LEU A 99 10.530 6.522 -3.651 1.00 0.00 N ATOM 1494 CA LEU A 99 9.313 5.862 -3.213 1.00 0.00 C ATOM 1495 C LEU A 99 9.084 6.141 -1.725 1.00 0.00 C ATOM 1496 O LEU A 99 8.010 6.612 -1.357 1.00 0.00 O ATOM 1497 CB LEU A 99 9.371 4.370 -3.570 1.00 0.00 C ATOM 1498 CG LEU A 99 8.099 3.581 -3.223 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.813 4.219 -3.761 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.221 2.177 -3.821 1.00 0.00 C ATOM 0 H LEU A 99 11.239 5.891 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 99 8.445 6.263 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.564 4.272 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.216 3.918 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 99 8.022 3.567 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.957 3.607 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.700 5.218 -3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.867 4.286 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.326 1.602 -3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.330 2.251 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.095 1.678 -3.402 1.00 0.00 H new ATOM 1512 N LYS A 100 10.083 5.911 -0.867 1.00 0.00 N ATOM 1513 CA LYS A 100 9.965 6.209 0.555 1.00 0.00 C ATOM 1514 C LYS A 100 9.565 7.670 0.779 1.00 0.00 C ATOM 1515 O LYS A 100 8.650 7.933 1.553 1.00 0.00 O ATOM 1516 CB LYS A 100 11.256 5.881 1.311 1.00 0.00 C ATOM 1517 CG LYS A 100 11.446 4.370 1.465 1.00 0.00 C ATOM 1518 CD LYS A 100 12.637 4.072 2.380 1.00 0.00 C ATOM 1519 CE LYS A 100 12.657 2.585 2.744 1.00 0.00 C ATOM 1520 NZ LYS A 100 13.849 2.241 3.539 1.00 0.00 N ATOM 0 H LYS A 100 10.984 5.518 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 100 9.176 5.572 0.955 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.108 6.304 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.231 6.348 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.541 3.924 1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.608 3.916 0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.567 4.346 1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.571 4.676 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.758 2.335 3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.640 1.986 1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.832 1.227 3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.706 2.458 2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 13.851 2.795 4.419 1.00 0.00 H new ATOM 1534 N GLU A 101 10.232 8.614 0.108 1.00 0.00 N ATOM 1535 CA GLU A 101 9.914 10.032 0.230 1.00 0.00 C ATOM 1536 C GLU A 101 8.433 10.269 -0.095 1.00 0.00 C ATOM 1537 O GLU A 101 7.706 10.860 0.702 1.00 0.00 O ATOM 1538 CB GLU A 101 10.826 10.855 -0.691 1.00 0.00 C ATOM 1539 CG GLU A 101 12.287 10.840 -0.220 1.00 0.00 C ATOM 1540 CD GLU A 101 13.210 11.428 -1.284 1.00 0.00 C ATOM 1541 OE1 GLU A 101 13.258 12.673 -1.369 1.00 0.00 O ATOM 1542 OE2 GLU A 101 13.835 10.625 -2.015 1.00 0.00 O ATOM 0 H GLU A 101 11.002 8.414 -0.530 1.00 0.00 H new ATOM 0 HA GLU A 101 10.089 10.355 1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.768 10.460 -1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.468 11.884 -0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.381 11.411 0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.590 9.817 0.005 1.00 0.00 H new ATOM 1549 N PHE A 102 7.990 9.794 -1.262 1.00 0.00 N ATOM 1550 CA PHE A 102 6.609 9.914 -1.715 1.00 0.00 C ATOM 1551 C PHE A 102 5.642 9.351 -0.667 1.00 0.00 C ATOM 1552 O PHE A 102 4.697 10.022 -0.247 1.00 0.00 O ATOM 1553 CB PHE A 102 6.467 9.193 -3.065 1.00 0.00 C ATOM 1554 CG PHE A 102 5.054 9.097 -3.614 1.00 0.00 C ATOM 1555 CD1 PHE A 102 4.554 10.098 -4.467 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.281 7.948 -3.360 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.310 9.926 -5.102 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.027 7.789 -3.975 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.551 8.768 -4.864 1.00 0.00 C ATOM 0 H PHE A 102 8.593 9.308 -1.926 1.00 0.00 H new ATOM 0 HA PHE A 102 6.353 10.965 -1.848 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.088 9.708 -3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 102 6.866 8.184 -2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.125 10.999 -4.635 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.653 7.186 -2.691 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.938 10.686 -5.774 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.429 6.914 -3.764 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.603 8.630 -5.363 1.00 0.00 H new ATOM 1569 N LEU A 103 5.879 8.109 -0.241 1.00 0.00 N ATOM 1570 CA LEU A 103 5.041 7.437 0.737 1.00 0.00 C ATOM 1571 C LEU A 103 4.982 8.239 2.031 1.00 0.00 C ATOM 1572 O LEU A 103 3.894 8.557 2.499 1.00 0.00 O ATOM 1573 CB LEU A 103 5.558 6.019 0.992 1.00 0.00 C ATOM 1574 CG LEU A 103 5.414 5.121 -0.245 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.178 3.822 -0.002 1.00 0.00 C ATOM 1576 CD2 LEU A 103 3.947 4.846 -0.591 1.00 0.00 C ATOM 0 H LEU A 103 6.662 7.544 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 103 4.028 7.365 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.606 6.063 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.011 5.578 1.825 1.00 0.00 H new ATOM 0 HG LEU A 103 5.837 5.640 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.083 3.175 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.231 4.046 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.767 3.316 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.895 4.207 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.463 4.347 0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.439 5.788 -0.795 1.00 0.00 H new ATOM 1588 N ASP A 104 6.139 8.582 2.600 1.00 0.00 N ATOM 1589 CA ASP A 104 6.227 9.364 3.824 1.00 0.00 C ATOM 1590 C ASP A 104 5.423 10.657 3.686 1.00 0.00 C ATOM 1591 O ASP A 104 4.585 10.956 4.533 1.00 0.00 O ATOM 1592 CB ASP A 104 7.694 9.654 4.154 1.00 0.00 C ATOM 1593 CG ASP A 104 7.804 10.499 5.417 1.00 0.00 C ATOM 1594 OD1 ASP A 104 7.695 9.902 6.509 1.00 0.00 O ATOM 1595 OD2 ASP A 104 7.986 11.727 5.265 1.00 0.00 O ATOM 0 H ASP A 104 7.047 8.320 2.217 1.00 0.00 H new ATOM 0 HA ASP A 104 5.800 8.792 4.647 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.234 8.717 4.289 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.164 10.175 3.320 1.00 0.00 H new ATOM 1600 N ALA A 105 5.665 11.406 2.606 1.00 0.00 N ATOM 1601 CA ALA A 105 4.970 12.656 2.330 1.00 0.00 C ATOM 1602 C ALA A 105 3.451 12.465 2.303 1.00 0.00 C ATOM 1603 O ALA A 105 2.714 13.331 2.770 1.00 0.00 O ATOM 1604 CB ALA A 105 5.472 13.245 1.009 1.00 0.00 C ATOM 0 H ALA A 105 6.354 11.156 1.897 1.00 0.00 H new ATOM 0 HA ALA A 105 5.189 13.355 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.950 14.180 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.543 13.435 1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.281 12.540 0.200 1.00 0.00 H new ATOM 1610 N ASN A 106 2.973 11.334 1.774 1.00 0.00 N ATOM 1611 CA ASN A 106 1.541 11.072 1.680 1.00 0.00 C ATOM 1612 C ASN A 106 0.984 10.634 3.031 1.00 0.00 C ATOM 1613 O ASN A 106 -0.058 11.128 3.454 1.00 0.00 O ATOM 1614 CB ASN A 106 1.262 9.977 0.646 1.00 0.00 C ATOM 1615 CG ASN A 106 1.137 10.532 -0.765 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.031 10.776 -1.232 1.00 0.00 O ATOM 1617 ND2 ASN A 106 2.255 10.719 -1.459 1.00 0.00 N ATOM 0 H ASN A 106 3.561 10.587 1.405 1.00 0.00 H new ATOM 0 HA ASN A 106 1.053 11.996 1.371 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.065 9.241 0.674 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.342 9.456 0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.209 11.077 -2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.159 10.505 -1.037 1.00 0.00 H new ATOM 1624 N LEU A 107 1.663 9.710 3.714 1.00 0.00 N ATOM 1625 CA LEU A 107 1.246 9.221 5.022 1.00 0.00 C ATOM 1626 C LEU A 107 1.164 10.400 5.994 1.00 0.00 C ATOM 1627 O LEU A 107 0.168 10.560 6.696 1.00 0.00 O ATOM 1628 CB LEU A 107 2.218 8.138 5.520 1.00 0.00 C ATOM 1629 CG LEU A 107 2.131 6.834 4.710 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.390 5.994 4.949 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.898 6.006 5.094 1.00 0.00 C ATOM 0 H LEU A 107 2.522 9.280 3.370 1.00 0.00 H new ATOM 0 HA LEU A 107 0.260 8.762 4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.237 8.522 5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.008 7.923 6.568 1.00 0.00 H new ATOM 0 HG LEU A 107 2.047 7.105 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.326 5.070 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.268 6.557 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.473 5.756 6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.873 5.093 4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.948 5.749 6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.004 6.587 4.904 1.00 0.00 H new ATOM 1643 N ALA A 108 2.196 11.247 6.007 1.00 0.00 N ATOM 1644 CA ALA A 108 2.230 12.442 6.836 1.00 0.00 C ATOM 1645 C ALA A 108 1.082 13.371 6.444 1.00 0.00 C ATOM 1646 O ALA A 108 0.796 14.336 7.151 1.00 0.00 O ATOM 1647 CB ALA A 108 3.584 13.138 6.674 1.00 0.00 C ATOM 0 H ALA A 108 3.033 11.118 5.438 1.00 0.00 H new ATOM 0 HA ALA A 108 2.107 12.171 7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.609 14.033 7.295 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.381 12.460 6.981 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.727 13.416 5.630 1.00 0.00 H new