USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 1 LEU N :NH3+ -153:sc= -0.0858 (180deg=-0.729) USER MOD Set 1.2: A 19 ASN : amide:sc= -2.44! C(o=-2.5!,f=-9.1!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.88! C(o=-1.9!,f=-3.6!) USER MOD Single : A 5 LYS NZ :NH3+ 163:sc=-0.00891 (180deg=-0.472) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 145:sc=-0.00448 (180deg=-0.587) USER MOD Single : A 24 MET CE :methyl -125:sc= -0.237 (180deg=-2.79!) USER MOD Single : A 26 MET CE :methyl -129:sc= -0.011 (180deg=-0.231) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.469 USER MOD Single : A 31 THR OG1 : rot -15:sc= 0.946 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.15 K(o=-1.1,f=-6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.143 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.78 K(o=-1.8,f=-0.19) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.913 USER MOD Single : A 60 ASN : amide:sc= -5.22! C(o=-5.2!,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.363 11.966 -0.991 1.00 0.00 N ATOM 2 CA LEU A 1 6.431 10.922 0.016 1.00 0.00 C ATOM 3 C LEU A 1 6.898 9.619 -0.636 1.00 0.00 C ATOM 4 O LEU A 1 6.424 9.254 -1.711 1.00 0.00 O ATOM 5 CB LEU A 1 5.094 10.796 0.750 1.00 0.00 C ATOM 6 CG LEU A 1 4.601 12.057 1.463 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.081 12.026 1.639 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.327 12.254 2.795 1.00 0.00 C ATOM 0 H1 LEU A 1 6.502 12.893 -0.540 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.107 11.812 -1.702 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.432 11.942 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 1 7.165 11.179 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.335 10.488 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 1 5.179 9.996 1.486 1.00 0.00 H new ATOM 0 HG LEU A 1 4.837 12.918 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.755 12.933 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.603 11.967 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.801 11.156 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.958 13.157 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.144 11.394 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 1 6.398 12.351 2.615 1.00 0.00 H new ATOM 20 N LYS A 2 7.823 8.953 0.041 1.00 0.00 N ATOM 21 CA LYS A 2 8.359 7.700 -0.460 1.00 0.00 C ATOM 22 C LYS A 2 7.956 6.564 0.483 1.00 0.00 C ATOM 23 O LYS A 2 7.903 6.751 1.698 1.00 0.00 O ATOM 24 CB LYS A 2 9.870 7.811 -0.678 1.00 0.00 C ATOM 25 CG LYS A 2 10.184 8.645 -1.921 1.00 0.00 C ATOM 26 CD LYS A 2 11.509 9.393 -1.760 1.00 0.00 C ATOM 27 CE LYS A 2 11.283 10.906 -1.727 1.00 0.00 C ATOM 28 NZ LYS A 2 12.301 11.599 -2.549 1.00 0.00 N ATOM 0 H LYS A 2 8.214 9.258 0.932 1.00 0.00 H new ATOM 0 HA LYS A 2 7.936 7.469 -1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.335 8.266 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.300 6.815 -0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.233 7.996 -2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.379 9.358 -2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.001 9.075 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.177 9.139 -2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.286 11.139 -2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.331 11.265 -0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.134 12.625 -2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.249 11.391 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.236 11.269 -3.533 1.00 0.00 H new ATOM 42 N CYS A 3 7.683 5.412 -0.112 1.00 0.00 N ATOM 43 CA CYS A 3 7.286 4.247 0.661 1.00 0.00 C ATOM 44 C CYS A 3 8.054 3.034 0.129 1.00 0.00 C ATOM 45 O CYS A 3 8.613 3.080 -0.965 1.00 0.00 O ATOM 46 CB CYS A 3 5.773 4.028 0.618 1.00 0.00 C ATOM 47 SG CYS A 3 4.825 4.977 1.863 1.00 0.00 S ATOM 0 H CYS A 3 7.729 5.260 -1.120 1.00 0.00 H new ATOM 0 HA CYS A 3 7.534 4.402 1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.410 4.294 -0.375 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.569 2.966 0.759 1.00 0.00 H new ATOM 52 N ASN A 4 8.056 1.978 0.929 1.00 0.00 N ATOM 53 CA ASN A 4 8.744 0.756 0.553 1.00 0.00 C ATOM 54 C ASN A 4 7.935 0.029 -0.523 1.00 0.00 C ATOM 55 O ASN A 4 6.720 0.204 -0.615 1.00 0.00 O ATOM 56 CB ASN A 4 8.891 -0.186 1.750 1.00 0.00 C ATOM 57 CG ASN A 4 9.137 0.602 3.038 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.226 0.924 3.783 1.00 0.00 O ATOM 59 ND2 ASN A 4 10.416 0.893 3.259 1.00 0.00 N ATOM 0 H ASN A 4 7.592 1.944 1.837 1.00 0.00 H new ATOM 0 HA ASN A 4 9.733 1.028 0.184 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.990 -0.790 1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.718 -0.875 1.577 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.683 1.416 4.093 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.129 0.593 2.594 1.00 0.00 H new ATOM 66 N LYS A 5 8.639 -0.771 -1.310 1.00 0.00 N ATOM 67 CA LYS A 5 8.001 -1.524 -2.376 1.00 0.00 C ATOM 68 C LYS A 5 7.706 -2.944 -1.885 1.00 0.00 C ATOM 69 O LYS A 5 7.806 -3.224 -0.692 1.00 0.00 O ATOM 70 CB LYS A 5 8.850 -1.476 -3.648 1.00 0.00 C ATOM 71 CG LYS A 5 8.925 -0.054 -4.205 1.00 0.00 C ATOM 72 CD LYS A 5 8.060 0.091 -5.458 1.00 0.00 C ATOM 73 CE LYS A 5 6.573 0.111 -5.100 1.00 0.00 C ATOM 74 NZ LYS A 5 6.216 1.383 -4.436 1.00 0.00 N ATOM 0 H LYS A 5 9.646 -0.914 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 5 7.045 -1.073 -2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.855 -1.839 -3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.425 -2.142 -4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.594 0.655 -3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.960 0.193 -4.443 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.324 1.010 -5.982 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.262 -0.734 -6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.974 -0.015 -6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.340 -0.727 -4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.184 1.509 -4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.541 1.362 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.672 2.174 -4.934 1.00 0.00 H new ATOM 88 N LEU A 6 7.349 -3.800 -2.831 1.00 0.00 N ATOM 89 CA LEU A 6 7.040 -5.183 -2.510 1.00 0.00 C ATOM 90 C LEU A 6 8.075 -5.715 -1.516 1.00 0.00 C ATOM 91 O LEU A 6 7.718 -6.315 -0.504 1.00 0.00 O ATOM 92 CB LEU A 6 6.927 -6.017 -3.787 1.00 0.00 C ATOM 93 CG LEU A 6 5.870 -7.123 -3.775 1.00 0.00 C ATOM 94 CD1 LEU A 6 6.138 -8.125 -2.652 1.00 0.00 C ATOM 95 CD2 LEU A 6 4.461 -6.532 -3.692 1.00 0.00 C ATOM 0 H LEU A 6 7.267 -3.563 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 6 6.067 -5.253 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.712 -5.345 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.897 -6.471 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 6 5.936 -7.670 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.372 -8.901 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.118 -8.580 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.115 -7.610 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.728 -7.339 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.365 -5.947 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.285 -5.889 -4.554 1.00 0.00 H new ATOM 107 N VAL A 7 9.338 -5.476 -1.841 1.00 0.00 N ATOM 108 CA VAL A 7 10.426 -5.924 -0.991 1.00 0.00 C ATOM 109 C VAL A 7 10.877 -4.769 -0.095 1.00 0.00 C ATOM 110 O VAL A 7 11.466 -3.801 -0.573 1.00 0.00 O ATOM 111 CB VAL A 7 11.559 -6.494 -1.847 1.00 0.00 C ATOM 112 CG1 VAL A 7 12.900 -6.399 -1.116 1.00 0.00 C ATOM 113 CG2 VAL A 7 11.261 -7.936 -2.262 1.00 0.00 C ATOM 0 H VAL A 7 9.631 -4.978 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 7 10.093 -6.731 -0.338 1.00 0.00 H new ATOM 0 HB VAL A 7 11.629 -5.893 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 7 13.688 -6.811 -1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.121 -5.355 -0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.848 -6.964 -0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.082 -8.317 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.150 -8.555 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.338 -7.965 -2.841 1.00 0.00 H new ATOM 123 N PRO A 8 10.583 -4.908 1.190 1.00 0.00 N ATOM 124 CA PRO A 8 10.962 -3.856 2.186 1.00 0.00 C ATOM 125 C PRO A 8 12.468 -3.476 2.394 1.00 0.00 C ATOM 126 O PRO A 8 12.810 -2.777 3.347 1.00 0.00 O ATOM 127 CB PRO A 8 10.297 -4.374 3.482 1.00 0.00 C ATOM 128 CG PRO A 8 9.248 -5.395 3.035 1.00 0.00 C ATOM 129 CD PRO A 8 9.864 -6.052 1.802 1.00 0.00 C ATOM 0 HA PRO A 8 10.624 -2.889 1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.033 -4.833 4.142 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.836 -3.558 4.038 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.046 -6.127 3.817 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.300 -4.913 2.797 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.538 -6.868 2.064 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.107 -6.466 1.135 1.00 0.00 H new ATOM 137 N ILE A 9 13.299 -3.961 1.484 1.00 0.00 N ATOM 138 CA ILE A 9 14.726 -3.689 1.552 1.00 0.00 C ATOM 139 C ILE A 9 15.052 -2.482 0.670 1.00 0.00 C ATOM 140 O ILE A 9 16.187 -2.007 0.659 1.00 0.00 O ATOM 141 CB ILE A 9 15.527 -4.944 1.198 1.00 0.00 C ATOM 142 CG1 ILE A 9 16.337 -5.433 2.401 1.00 0.00 C ATOM 143 CG2 ILE A 9 16.410 -4.703 -0.028 1.00 0.00 C ATOM 144 CD1 ILE A 9 15.633 -6.599 3.098 1.00 0.00 C ATOM 0 H ILE A 9 13.012 -4.541 0.695 1.00 0.00 H new ATOM 0 HA ILE A 9 15.017 -3.429 2.570 1.00 0.00 H new ATOM 0 HB ILE A 9 14.825 -5.736 0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 9 17.329 -5.745 2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.478 -4.614 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 9 16.968 -5.610 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 9 15.785 -4.436 -0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 9 17.107 -3.891 0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 9 16.229 -6.928 3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 9 14.652 -6.276 3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 9 15.516 -7.425 2.397 1.00 0.00 H new ATOM 156 N ALA A 10 14.038 -2.021 -0.046 1.00 0.00 N ATOM 157 CA ALA A 10 14.203 -0.878 -0.928 1.00 0.00 C ATOM 158 C ALA A 10 12.854 -0.180 -1.110 1.00 0.00 C ATOM 159 O ALA A 10 11.824 -0.838 -1.254 1.00 0.00 O ATOM 160 CB ALA A 10 14.803 -1.341 -2.258 1.00 0.00 C ATOM 0 H ALA A 10 13.099 -2.418 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 10 14.893 -0.155 -0.493 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.927 -0.484 -2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.774 -1.803 -2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.137 -2.066 -2.725 1.00 0.00 H new ATOM 166 N TYR A 11 12.902 1.145 -1.097 1.00 0.00 N ATOM 167 CA TYR A 11 11.696 1.938 -1.259 1.00 0.00 C ATOM 168 C TYR A 11 11.851 2.944 -2.402 1.00 0.00 C ATOM 169 O TYR A 11 12.966 3.237 -2.829 1.00 0.00 O ATOM 170 CB TYR A 11 11.515 2.702 0.054 1.00 0.00 C ATOM 171 CG TYR A 11 12.624 3.717 0.343 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.641 4.927 -0.320 1.00 0.00 C ATOM 173 CD2 TYR A 11 13.608 3.421 1.264 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.684 5.882 -0.050 1.00 0.00 C ATOM 175 CE2 TYR A 11 14.651 4.376 1.535 1.00 0.00 C ATOM 176 CZ TYR A 11 14.637 5.559 0.865 1.00 0.00 C ATOM 177 OH TYR A 11 15.623 6.461 1.120 1.00 0.00 O ATOM 0 H TYR A 11 13.757 1.688 -0.977 1.00 0.00 H new ATOM 0 HA TYR A 11 10.845 1.299 -1.492 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.558 3.223 0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.469 1.987 0.875 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.872 5.158 -1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 11 13.596 2.473 1.782 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.709 6.833 -0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 11 15.427 4.158 2.254 1.00 0.00 H new ATOM 0 HH TYR A 11 16.233 6.097 1.795 1.00 0.00 H new ATOM 187 N LYS A 12 10.715 3.443 -2.866 1.00 0.00 N ATOM 188 CA LYS A 12 10.710 4.409 -3.951 1.00 0.00 C ATOM 189 C LYS A 12 9.741 5.545 -3.614 1.00 0.00 C ATOM 190 O LYS A 12 9.272 5.650 -2.481 1.00 0.00 O ATOM 191 CB LYS A 12 10.408 3.718 -5.282 1.00 0.00 C ATOM 192 CG LYS A 12 11.545 2.775 -5.680 1.00 0.00 C ATOM 193 CD LYS A 12 11.632 2.633 -7.201 1.00 0.00 C ATOM 194 CE LYS A 12 12.680 3.585 -7.781 1.00 0.00 C ATOM 195 NZ LYS A 12 12.060 4.501 -8.765 1.00 0.00 N ATOM 0 H LYS A 12 9.791 3.196 -2.510 1.00 0.00 H new ATOM 0 HA LYS A 12 11.697 4.856 -4.067 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.477 3.157 -5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.263 4.467 -6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.490 3.155 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.385 1.796 -5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.886 1.605 -7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.659 2.843 -7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.140 4.161 -6.978 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.475 3.013 -8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.785 5.140 -9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.642 3.947 -9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.317 5.060 -8.299 1.00 0.00 H new ATOM 209 N THR A 13 9.469 6.365 -4.618 1.00 0.00 N ATOM 210 CA THR A 13 8.563 7.488 -4.442 1.00 0.00 C ATOM 211 C THR A 13 7.220 7.202 -5.117 1.00 0.00 C ATOM 212 O THR A 13 7.178 6.623 -6.202 1.00 0.00 O ATOM 213 CB THR A 13 9.257 8.743 -4.976 1.00 0.00 C ATOM 214 OG1 THR A 13 8.243 9.407 -5.725 1.00 0.00 O ATOM 215 CG2 THR A 13 10.335 8.419 -6.013 1.00 0.00 C ATOM 0 H THR A 13 9.860 6.275 -5.556 1.00 0.00 H new ATOM 0 HA THR A 13 8.333 7.649 -3.389 1.00 0.00 H new ATOM 0 HB THR A 13 9.704 9.292 -4.147 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.606 10.233 -6.106 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.796 9.344 -6.360 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.095 7.782 -5.561 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.883 7.900 -6.858 1.00 0.00 H new ATOM 223 N CYS A 14 6.157 7.620 -4.447 1.00 0.00 N ATOM 224 CA CYS A 14 4.816 7.416 -4.969 1.00 0.00 C ATOM 225 C CYS A 14 4.585 8.415 -6.103 1.00 0.00 C ATOM 226 O CYS A 14 4.468 9.616 -5.863 1.00 0.00 O ATOM 227 CB CYS A 14 3.757 7.541 -3.872 1.00 0.00 C ATOM 228 SG CYS A 14 3.891 6.305 -2.530 1.00 0.00 S ATOM 0 H CYS A 14 6.196 8.099 -3.547 1.00 0.00 H new ATOM 0 HA CYS A 14 4.724 6.401 -5.357 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.822 8.538 -3.436 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.771 7.456 -4.328 1.00 0.00 H new ATOM 233 N PRO A 15 4.524 7.884 -7.315 1.00 0.00 N ATOM 234 CA PRO A 15 4.302 8.740 -8.524 1.00 0.00 C ATOM 235 C PRO A 15 3.156 9.809 -8.530 1.00 0.00 C ATOM 236 O PRO A 15 2.309 9.823 -7.638 1.00 0.00 O ATOM 237 CB PRO A 15 4.141 7.691 -9.647 1.00 0.00 C ATOM 238 CG PRO A 15 3.841 6.366 -8.943 1.00 0.00 C ATOM 239 CD PRO A 15 4.642 6.440 -7.644 1.00 0.00 C ATOM 0 HA PRO A 15 5.139 9.432 -8.617 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.332 7.965 -10.325 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.048 7.618 -10.247 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.775 6.252 -8.747 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.146 5.514 -9.551 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.222 5.805 -6.864 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.679 6.132 -7.782 1.00 0.00 H new ATOM 247 N GLU A 16 3.188 10.658 -9.546 1.00 0.00 N ATOM 248 CA GLU A 16 2.187 11.703 -9.681 1.00 0.00 C ATOM 249 C GLU A 16 0.797 11.088 -9.854 1.00 0.00 C ATOM 250 O GLU A 16 0.644 10.068 -10.524 1.00 0.00 O ATOM 251 CB GLU A 16 2.521 12.637 -10.846 1.00 0.00 C ATOM 252 CG GLU A 16 3.745 13.497 -10.525 1.00 0.00 C ATOM 253 CD GLU A 16 3.336 14.934 -10.199 1.00 0.00 C ATOM 254 OE1 GLU A 16 2.952 15.646 -11.153 1.00 0.00 O ATOM 255 OE2 GLU A 16 3.416 15.290 -9.004 1.00 0.00 O ATOM 0 H GLU A 16 3.892 10.644 -10.284 1.00 0.00 H new ATOM 0 HA GLU A 16 2.189 12.299 -8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.710 12.050 -11.745 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.666 13.279 -11.059 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.284 13.068 -9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.429 13.494 -11.374 1.00 0.00 H new ATOM 262 N GLY A 17 -0.183 11.733 -9.237 1.00 0.00 N ATOM 263 CA GLY A 17 -1.554 11.262 -9.313 1.00 0.00 C ATOM 264 C GLY A 17 -1.856 10.267 -8.190 1.00 0.00 C ATOM 265 O GLY A 17 -3.011 10.092 -7.806 1.00 0.00 O ATOM 0 H GLY A 17 -0.053 12.579 -8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.237 12.109 -9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.726 10.788 -10.279 1.00 0.00 H new ATOM 269 N LYS A 18 -0.797 9.642 -7.696 1.00 0.00 N ATOM 270 CA LYS A 18 -0.935 8.670 -6.626 1.00 0.00 C ATOM 271 C LYS A 18 0.286 8.755 -5.706 1.00 0.00 C ATOM 272 O LYS A 18 1.251 8.011 -5.879 1.00 0.00 O ATOM 273 CB LYS A 18 -1.176 7.272 -7.200 1.00 0.00 C ATOM 274 CG LYS A 18 -0.240 6.994 -8.377 1.00 0.00 C ATOM 275 CD LYS A 18 -0.801 5.886 -9.273 1.00 0.00 C ATOM 276 CE LYS A 18 0.325 5.135 -9.987 1.00 0.00 C ATOM 277 NZ LYS A 18 -0.105 3.762 -10.331 1.00 0.00 N ATOM 0 H LYS A 18 0.160 9.790 -8.017 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.811 8.895 -6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.020 6.524 -6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.212 7.182 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.103 7.904 -8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.742 6.703 -8.005 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.384 5.188 -8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.479 6.317 -10.009 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.610 5.671 -10.892 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.207 5.097 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.671 3.266 -10.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.355 3.249 -9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.933 3.805 -10.958 1.00 0.00 H new ATOM 291 N ASN A 19 0.203 9.667 -4.750 1.00 0.00 N ATOM 292 CA ASN A 19 1.290 9.859 -3.803 1.00 0.00 C ATOM 293 C ASN A 19 0.936 9.169 -2.483 1.00 0.00 C ATOM 294 O ASN A 19 1.662 9.299 -1.499 1.00 0.00 O ATOM 295 CB ASN A 19 1.513 11.345 -3.515 1.00 0.00 C ATOM 296 CG ASN A 19 2.578 11.539 -2.434 1.00 0.00 C ATOM 297 OD1 ASN A 19 3.445 10.707 -2.224 1.00 0.00 O ATOM 298 ND2 ASN A 19 2.465 12.682 -1.763 1.00 0.00 N ATOM 0 H ASN A 19 -0.599 10.281 -4.610 1.00 0.00 H new ATOM 0 HA ASN A 19 2.196 9.436 -4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.820 11.854 -4.429 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.577 11.802 -3.194 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.129 12.906 -1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.715 13.335 -1.990 1.00 0.00 H new ATOM 305 N LEU A 20 -0.177 8.452 -2.506 1.00 0.00 N ATOM 306 CA LEU A 20 -0.634 7.743 -1.323 1.00 0.00 C ATOM 307 C LEU A 20 -0.012 6.345 -1.301 1.00 0.00 C ATOM 308 O LEU A 20 0.308 5.786 -2.349 1.00 0.00 O ATOM 309 CB LEU A 20 -2.163 7.737 -1.261 1.00 0.00 C ATOM 310 CG LEU A 20 -2.812 8.967 -0.625 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.338 8.896 -0.726 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.341 9.154 0.819 1.00 0.00 C ATOM 0 H LEU A 20 -0.776 8.347 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.303 8.254 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.548 7.631 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.481 6.855 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.492 9.847 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.775 9.783 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.631 8.849 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.696 8.006 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.818 10.036 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.610 8.276 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.259 9.284 0.835 1.00 0.00 H new ATOM 324 N CYS A 21 0.140 5.820 -0.094 1.00 0.00 N ATOM 325 CA CYS A 21 0.718 4.498 0.079 1.00 0.00 C ATOM 326 C CYS A 21 -0.405 3.529 0.454 1.00 0.00 C ATOM 327 O CYS A 21 -1.320 3.887 1.192 1.00 0.00 O ATOM 328 CB CYS A 21 1.839 4.503 1.122 1.00 0.00 C ATOM 329 SG CYS A 21 3.329 5.450 0.641 1.00 0.00 S ATOM 0 H CYS A 21 -0.127 6.286 0.773 1.00 0.00 H new ATOM 0 HA CYS A 21 1.180 4.175 -0.854 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.449 4.915 2.053 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.131 3.473 1.327 1.00 0.00 H new ATOM 334 N TYR A 22 -0.297 2.318 -0.074 1.00 0.00 N ATOM 335 CA TYR A 22 -1.293 1.294 0.195 1.00 0.00 C ATOM 336 C TYR A 22 -0.627 -0.048 0.511 1.00 0.00 C ATOM 337 O TYR A 22 0.506 -0.294 0.103 1.00 0.00 O ATOM 338 CB TYR A 22 -2.111 1.153 -1.090 1.00 0.00 C ATOM 339 CG TYR A 22 -1.544 0.134 -2.080 1.00 0.00 C ATOM 340 CD1 TYR A 22 -1.644 -1.217 -1.813 1.00 0.00 C ATOM 341 CD2 TYR A 22 -0.935 0.564 -3.241 1.00 0.00 C ATOM 342 CE1 TYR A 22 -1.110 -2.177 -2.745 1.00 0.00 C ATOM 343 CE2 TYR A 22 -0.402 -0.396 -4.173 1.00 0.00 C ATOM 344 CZ TYR A 22 -0.516 -1.718 -3.879 1.00 0.00 C ATOM 345 OH TYR A 22 -0.012 -2.625 -4.759 1.00 0.00 O ATOM 0 H TYR A 22 0.464 2.023 -0.686 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.906 1.571 1.053 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.129 0.864 -0.830 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.170 2.125 -1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.123 -1.554 -0.905 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.858 1.621 -3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.180 -3.237 -2.548 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.078 -0.073 -5.085 1.00 0.00 H new ATOM 0 HH TYR A 22 0.382 -2.155 -5.524 1.00 0.00 H new ATOM 355 N LYS A 23 -1.361 -0.879 1.236 1.00 0.00 N ATOM 356 CA LYS A 23 -0.857 -2.189 1.611 1.00 0.00 C ATOM 357 C LYS A 23 -2.035 -3.129 1.874 1.00 0.00 C ATOM 358 O LYS A 23 -2.928 -2.806 2.654 1.00 0.00 O ATOM 359 CB LYS A 23 0.112 -2.073 2.790 1.00 0.00 C ATOM 360 CG LYS A 23 -0.437 -1.126 3.859 1.00 0.00 C ATOM 361 CD LYS A 23 0.469 -1.105 5.092 1.00 0.00 C ATOM 362 CE LYS A 23 0.900 0.324 5.431 1.00 0.00 C ATOM 363 NZ LYS A 23 0.838 0.551 6.892 1.00 0.00 N ATOM 0 H LYS A 23 -2.301 -0.671 1.574 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.280 -2.622 0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.282 -3.058 3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.077 -1.709 2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.522 -0.120 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.441 -1.439 4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.056 -1.541 5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.350 -1.721 4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.914 0.499 5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.254 1.036 4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.610 1.186 7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.075 0.984 7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.935 -0.357 7.389 1.00 0.00 H new ATOM 377 N MET A 24 -1.997 -4.273 1.207 1.00 0.00 N ATOM 378 CA MET A 24 -3.052 -5.262 1.358 1.00 0.00 C ATOM 379 C MET A 24 -2.518 -6.535 2.019 1.00 0.00 C ATOM 380 O MET A 24 -1.397 -6.960 1.743 1.00 0.00 O ATOM 381 CB MET A 24 -3.632 -5.605 -0.015 1.00 0.00 C ATOM 382 CG MET A 24 -4.435 -4.430 -0.579 1.00 0.00 C ATOM 383 SD MET A 24 -3.717 -3.884 -2.119 1.00 0.00 S ATOM 384 CE MET A 24 -4.607 -4.924 -3.263 1.00 0.00 C ATOM 0 H MET A 24 -1.253 -4.537 0.561 1.00 0.00 H new ATOM 0 HA MET A 24 -3.830 -4.842 1.995 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.825 -5.862 -0.701 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.273 -6.483 0.066 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.471 -4.729 -0.737 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.446 -3.609 0.138 1.00 0.00 H new ATOM 0 HE1 MET A 24 -3.898 -5.481 -3.876 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.234 -5.622 -2.708 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.234 -4.305 -3.905 1.00 0.00 H new ATOM 394 N PHE A 25 -3.346 -7.109 2.879 1.00 0.00 N ATOM 395 CA PHE A 25 -2.972 -8.326 3.581 1.00 0.00 C ATOM 396 C PHE A 25 -4.115 -9.343 3.563 1.00 0.00 C ATOM 397 O PHE A 25 -5.278 -8.972 3.415 1.00 0.00 O ATOM 398 CB PHE A 25 -2.678 -7.933 5.029 1.00 0.00 C ATOM 399 CG PHE A 25 -1.835 -6.664 5.172 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.346 -5.462 4.791 1.00 0.00 C ATOM 401 CD2 PHE A 25 -0.575 -6.738 5.678 1.00 0.00 C ATOM 402 CE1 PHE A 25 -1.563 -4.284 4.923 1.00 0.00 C ATOM 403 CE2 PHE A 25 0.208 -5.560 5.811 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.303 -4.358 5.430 1.00 0.00 C ATOM 0 H PHE A 25 -4.275 -6.754 3.106 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.108 -8.783 3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.622 -7.790 5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.161 -8.757 5.520 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.346 -5.403 4.388 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.169 -7.693 5.979 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.968 -3.330 4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.208 -5.619 6.214 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.292 -3.462 5.530 1.00 0.00 H new ATOM 414 N MET A 26 -3.742 -10.605 3.714 1.00 0.00 N ATOM 415 CA MET A 26 -4.722 -11.679 3.717 1.00 0.00 C ATOM 416 C MET A 26 -5.425 -11.776 5.073 1.00 0.00 C ATOM 417 O MET A 26 -4.925 -11.264 6.073 1.00 0.00 O ATOM 418 CB MET A 26 -4.026 -13.006 3.406 1.00 0.00 C ATOM 419 CG MET A 26 -3.442 -13.000 1.993 1.00 0.00 C ATOM 420 SD MET A 26 -3.022 -14.663 1.499 1.00 0.00 S ATOM 421 CE MET A 26 -4.643 -15.278 1.074 1.00 0.00 C ATOM 0 H MET A 26 -2.776 -10.908 3.835 1.00 0.00 H new ATOM 0 HA MET A 26 -5.471 -11.464 2.955 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.232 -13.183 4.131 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.737 -13.826 3.506 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.163 -12.575 1.294 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.555 -12.367 1.960 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.818 -16.225 1.584 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.399 -14.555 1.381 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.703 -15.430 -0.004 1.00 0.00 H new ATOM 431 N MET A 27 -6.573 -12.437 5.062 1.00 0.00 N ATOM 432 CA MET A 27 -7.350 -12.608 6.277 1.00 0.00 C ATOM 433 C MET A 27 -6.592 -13.460 7.297 1.00 0.00 C ATOM 434 O MET A 27 -6.651 -13.198 8.497 1.00 0.00 O ATOM 435 CB MET A 27 -8.683 -13.279 5.941 1.00 0.00 C ATOM 436 CG MET A 27 -9.724 -12.244 5.510 1.00 0.00 C ATOM 437 SD MET A 27 -10.823 -11.879 6.868 1.00 0.00 S ATOM 438 CE MET A 27 -10.910 -10.102 6.728 1.00 0.00 C ATOM 0 H MET A 27 -6.984 -12.861 4.230 1.00 0.00 H new ATOM 0 HA MET A 27 -7.528 -11.625 6.713 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.537 -14.007 5.143 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.048 -13.827 6.810 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.227 -11.332 5.179 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.294 -12.622 4.662 1.00 0.00 H new ATOM 0 HE1 MET A 27 -11.561 -9.707 7.508 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.912 -9.679 6.840 1.00 0.00 H new ATOM 0 HE3 MET A 27 -11.310 -9.833 5.750 1.00 0.00 H new ATOM 448 N SER A 28 -5.897 -14.464 6.782 1.00 0.00 N ATOM 449 CA SER A 28 -5.129 -15.357 7.633 1.00 0.00 C ATOM 450 C SER A 28 -3.900 -14.629 8.181 1.00 0.00 C ATOM 451 O SER A 28 -3.996 -13.898 9.166 1.00 0.00 O ATOM 452 CB SER A 28 -4.704 -16.614 6.870 1.00 0.00 C ATOM 453 OG SER A 28 -3.650 -17.308 7.530 1.00 0.00 O ATOM 0 H SER A 28 -5.850 -14.679 5.786 1.00 0.00 H new ATOM 0 HA SER A 28 -5.762 -15.665 8.465 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.561 -17.278 6.759 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.383 -16.337 5.866 1.00 0.00 H new ATOM 0 HG SER A 28 -3.409 -18.105 7.013 1.00 0.00 H new ATOM 459 N ASP A 29 -2.775 -14.853 7.518 1.00 0.00 N ATOM 460 CA ASP A 29 -1.529 -14.227 7.927 1.00 0.00 C ATOM 461 C ASP A 29 -1.562 -12.744 7.552 1.00 0.00 C ATOM 462 O ASP A 29 -1.009 -12.348 6.526 1.00 0.00 O ATOM 463 CB ASP A 29 -0.333 -14.868 7.222 1.00 0.00 C ATOM 464 CG ASP A 29 0.996 -14.755 7.970 1.00 0.00 C ATOM 465 OD1 ASP A 29 1.313 -13.624 8.397 1.00 0.00 O ATOM 466 OD2 ASP A 29 1.667 -15.802 8.099 1.00 0.00 O ATOM 0 H ASP A 29 -2.700 -15.459 6.701 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.423 -14.357 9.004 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.551 -15.923 7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.220 -14.408 6.240 1.00 0.00 H new ATOM 471 N LEU A 30 -2.213 -11.964 8.402 1.00 0.00 N ATOM 472 CA LEU A 30 -2.324 -10.534 8.172 1.00 0.00 C ATOM 473 C LEU A 30 -0.977 -9.870 8.462 1.00 0.00 C ATOM 474 O LEU A 30 -0.756 -8.719 8.088 1.00 0.00 O ATOM 475 CB LEU A 30 -3.485 -9.951 8.979 1.00 0.00 C ATOM 476 CG LEU A 30 -4.787 -10.754 8.960 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.051 -11.403 10.321 1.00 0.00 C ATOM 478 CD2 LEU A 30 -5.961 -9.886 8.502 1.00 0.00 C ATOM 0 H LEU A 30 -2.669 -12.296 9.252 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.560 -10.332 7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.163 -9.843 10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.694 -8.949 8.605 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.680 -11.560 8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.982 -11.968 10.280 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.230 -12.075 10.569 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.129 -10.629 11.084 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.874 -10.482 8.498 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.080 -9.045 9.185 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.767 -9.512 7.497 1.00 0.00 H new ATOM 490 N THR A 31 -0.112 -10.622 9.126 1.00 0.00 N ATOM 491 CA THR A 31 1.207 -10.120 9.471 1.00 0.00 C ATOM 492 C THR A 31 2.186 -10.361 8.320 1.00 0.00 C ATOM 493 O THR A 31 3.379 -10.086 8.447 1.00 0.00 O ATOM 494 CB THR A 31 1.636 -10.779 10.782 1.00 0.00 C ATOM 495 OG1 THR A 31 2.961 -10.301 10.996 1.00 0.00 O ATOM 496 CG2 THR A 31 1.805 -12.294 10.648 1.00 0.00 C ATOM 0 H THR A 31 -0.299 -11.576 9.435 1.00 0.00 H new ATOM 0 HA THR A 31 1.192 -9.041 9.624 1.00 0.00 H new ATOM 0 HB THR A 31 0.898 -10.562 11.554 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.303 -9.903 10.168 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.110 -12.712 11.607 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.859 -12.740 10.342 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.567 -12.510 9.899 1.00 0.00 H new ATOM 504 N ILE A 32 1.647 -10.873 7.224 1.00 0.00 N ATOM 505 CA ILE A 32 2.459 -11.154 6.051 1.00 0.00 C ATOM 506 C ILE A 32 1.794 -10.540 4.817 1.00 0.00 C ATOM 507 O ILE A 32 0.902 -11.145 4.223 1.00 0.00 O ATOM 508 CB ILE A 32 2.719 -12.655 5.928 1.00 0.00 C ATOM 509 CG1 ILE A 32 3.917 -13.077 6.781 1.00 0.00 C ATOM 510 CG2 ILE A 32 2.887 -13.064 4.463 1.00 0.00 C ATOM 511 CD1 ILE A 32 5.234 -12.692 6.105 1.00 0.00 C ATOM 0 H ILE A 32 0.658 -11.101 7.123 1.00 0.00 H new ATOM 0 HA ILE A 32 3.441 -10.691 6.147 1.00 0.00 H new ATOM 0 HB ILE A 32 1.848 -13.184 6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.855 -12.604 7.761 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.890 -14.154 6.945 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.071 -14.137 4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.979 -12.820 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.731 -12.527 4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.069 -13.003 6.732 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.304 -13.186 5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.269 -11.612 5.964 1.00 0.00 H new ATOM 523 N PRO A 33 2.253 -9.348 4.468 1.00 0.00 N ATOM 524 CA PRO A 33 1.697 -8.625 3.280 1.00 0.00 C ATOM 525 C PRO A 33 1.475 -9.387 1.928 1.00 0.00 C ATOM 526 O PRO A 33 2.136 -10.391 1.662 1.00 0.00 O ATOM 527 CB PRO A 33 2.669 -7.432 3.134 1.00 0.00 C ATOM 528 CG PRO A 33 3.248 -7.192 4.530 1.00 0.00 C ATOM 529 CD PRO A 33 3.332 -8.585 5.149 1.00 0.00 C ATOM 0 HA PRO A 33 0.652 -8.385 3.479 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.458 -7.656 2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.149 -6.546 2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.229 -6.720 4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.609 -6.533 5.118 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.309 -9.038 4.980 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.178 -8.552 6.228 1.00 0.00 H new ATOM 537 N VAL A 34 0.548 -8.867 1.137 1.00 0.00 N ATOM 538 CA VAL A 34 0.237 -9.469 -0.148 1.00 0.00 C ATOM 539 C VAL A 34 0.540 -8.466 -1.263 1.00 0.00 C ATOM 540 O VAL A 34 1.088 -8.834 -2.301 1.00 0.00 O ATOM 541 CB VAL A 34 -1.213 -9.955 -0.159 1.00 0.00 C ATOM 542 CG1 VAL A 34 -2.049 -9.164 -1.167 1.00 0.00 C ATOM 543 CG2 VAL A 34 -1.286 -11.457 -0.446 1.00 0.00 C ATOM 0 H VAL A 34 0.002 -8.035 1.361 1.00 0.00 H new ATOM 0 HA VAL A 34 0.862 -10.345 -0.321 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.631 -9.782 0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.076 -9.530 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.037 -8.107 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.631 -9.291 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.328 -11.777 -0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.841 -11.663 -1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.741 -12.002 0.325 1.00 0.00 H new ATOM 553 N LYS A 35 0.171 -7.219 -1.011 1.00 0.00 N ATOM 554 CA LYS A 35 0.396 -6.161 -1.981 1.00 0.00 C ATOM 555 C LYS A 35 0.925 -4.919 -1.260 1.00 0.00 C ATOM 556 O LYS A 35 0.387 -4.519 -0.229 1.00 0.00 O ATOM 557 CB LYS A 35 -0.872 -5.905 -2.798 1.00 0.00 C ATOM 558 CG LYS A 35 -1.453 -7.215 -3.334 1.00 0.00 C ATOM 559 CD LYS A 35 -1.781 -7.101 -4.824 1.00 0.00 C ATOM 560 CE LYS A 35 -2.837 -8.129 -5.233 1.00 0.00 C ATOM 561 NZ LYS A 35 -3.323 -7.855 -6.605 1.00 0.00 N ATOM 0 H LYS A 35 -0.283 -6.917 -0.149 1.00 0.00 H new ATOM 0 HA LYS A 35 1.157 -6.460 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.613 -5.401 -2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.645 -5.237 -3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.740 -8.024 -3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.355 -7.471 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.142 -6.096 -5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.875 -7.251 -5.412 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.414 -9.133 -5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.672 -8.100 -4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.039 -8.562 -6.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.745 -6.905 -6.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.527 -7.905 -7.272 1.00 0.00 H new ATOM 575 N ARG A 36 1.973 -4.344 -1.833 1.00 0.00 N ATOM 576 CA ARG A 36 2.579 -3.155 -1.258 1.00 0.00 C ATOM 577 C ARG A 36 3.024 -2.198 -2.365 1.00 0.00 C ATOM 578 O ARG A 36 3.835 -2.561 -3.217 1.00 0.00 O ATOM 579 CB ARG A 36 3.788 -3.518 -0.392 1.00 0.00 C ATOM 580 CG ARG A 36 3.431 -4.614 0.615 1.00 0.00 C ATOM 581 CD ARG A 36 3.179 -4.022 2.003 1.00 0.00 C ATOM 582 NE ARG A 36 4.432 -4.025 2.790 1.00 0.00 N ATOM 583 CZ ARG A 36 4.509 -3.670 4.080 1.00 0.00 C ATOM 584 NH1 ARG A 36 3.408 -3.282 4.736 1.00 0.00 N ATOM 585 NH2 ARG A 36 5.690 -3.704 4.714 1.00 0.00 N ATOM 0 H ARG A 36 2.417 -4.679 -2.688 1.00 0.00 H new ATOM 0 HA ARG A 36 1.830 -2.670 -0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.607 -3.855 -1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.140 -2.633 0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.543 -5.148 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.240 -5.342 0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.801 -3.004 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.414 -4.600 2.520 1.00 0.00 H new ATOM 0 HE ARG A 36 5.290 -4.315 2.322 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.509 -3.256 4.254 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.468 -3.012 5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.529 -4.000 4.214 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.750 -3.434 5.696 1.00 0.00 H new ATOM 599 N GLY A 37 2.474 -0.994 -2.318 1.00 0.00 N ATOM 600 CA GLY A 37 2.804 0.019 -3.308 1.00 0.00 C ATOM 601 C GLY A 37 2.102 1.342 -2.993 1.00 0.00 C ATOM 602 O GLY A 37 1.643 1.554 -1.871 1.00 0.00 O ATOM 0 H GLY A 37 1.802 -0.696 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.883 0.172 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.510 -0.326 -4.299 1.00 0.00 H new ATOM 606 N CYS A 38 2.041 2.198 -4.002 1.00 0.00 N ATOM 607 CA CYS A 38 1.404 3.493 -3.848 1.00 0.00 C ATOM 608 C CYS A 38 0.088 3.479 -4.629 1.00 0.00 C ATOM 609 O CYS A 38 -0.060 2.721 -5.587 1.00 0.00 O ATOM 610 CB CYS A 38 2.321 4.633 -4.296 1.00 0.00 C ATOM 611 SG CYS A 38 4.024 4.554 -3.631 1.00 0.00 S ATOM 0 H CYS A 38 2.423 2.019 -4.931 1.00 0.00 H new ATOM 0 HA CYS A 38 1.197 3.674 -2.793 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.371 4.634 -5.385 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.873 5.580 -3.997 1.00 0.00 H new ATOM 616 N ILE A 39 -0.832 4.324 -4.191 1.00 0.00 N ATOM 617 CA ILE A 39 -2.130 4.417 -4.838 1.00 0.00 C ATOM 618 C ILE A 39 -2.621 5.866 -4.781 1.00 0.00 C ATOM 619 O ILE A 39 -1.983 6.717 -4.164 1.00 0.00 O ATOM 620 CB ILE A 39 -3.108 3.413 -4.225 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.222 3.059 -5.213 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.663 3.929 -2.897 1.00 0.00 C ATOM 623 CD1 ILE A 39 -4.687 1.614 -5.021 1.00 0.00 C ATOM 0 H ILE A 39 -0.705 4.951 -3.396 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.050 4.147 -5.891 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.563 2.493 -4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.064 3.737 -5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.865 3.197 -6.234 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.355 3.196 -2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.843 4.089 -2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.187 4.870 -3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.479 1.389 -5.735 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.848 0.937 -5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.066 1.485 -4.007 1.00 0.00 H new ATOM 635 N ASP A 40 -3.750 6.101 -5.434 1.00 0.00 N ATOM 636 CA ASP A 40 -4.333 7.432 -5.465 1.00 0.00 C ATOM 637 C ASP A 40 -5.481 7.504 -4.455 1.00 0.00 C ATOM 638 O ASP A 40 -5.504 8.387 -3.599 1.00 0.00 O ATOM 639 CB ASP A 40 -4.901 7.751 -6.849 1.00 0.00 C ATOM 640 CG ASP A 40 -5.780 6.657 -7.457 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.274 5.520 -7.571 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.939 6.983 -7.793 1.00 0.00 O ATOM 0 H ASP A 40 -4.276 5.393 -5.945 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.550 8.150 -5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.485 8.669 -6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.072 7.949 -7.528 1.00 0.00 H new ATOM 647 N VAL A 41 -6.405 6.565 -4.590 1.00 0.00 N ATOM 648 CA VAL A 41 -7.553 6.511 -3.700 1.00 0.00 C ATOM 649 C VAL A 41 -7.442 5.276 -2.805 1.00 0.00 C ATOM 650 O VAL A 41 -6.891 4.256 -3.215 1.00 0.00 O ATOM 651 CB VAL A 41 -8.848 6.546 -4.514 1.00 0.00 C ATOM 652 CG1 VAL A 41 -9.934 5.696 -3.851 1.00 0.00 C ATOM 653 CG2 VAL A 41 -9.327 7.984 -4.721 1.00 0.00 C ATOM 0 H VAL A 41 -6.383 5.835 -5.302 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.572 7.384 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.640 6.119 -5.495 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.844 5.738 -4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.594 4.663 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.138 6.081 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.249 7.980 -5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.511 8.449 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.563 8.549 -5.256 1.00 0.00 H new ATOM 663 N CYS A 42 -7.974 5.409 -1.599 1.00 0.00 N ATOM 664 CA CYS A 42 -7.941 4.315 -0.642 1.00 0.00 C ATOM 665 C CYS A 42 -8.985 3.279 -1.062 1.00 0.00 C ATOM 666 O CYS A 42 -10.169 3.592 -1.166 1.00 0.00 O ATOM 667 CB CYS A 42 -8.169 4.809 0.789 1.00 0.00 C ATOM 668 SG CYS A 42 -7.467 3.733 2.092 1.00 0.00 S ATOM 0 H CYS A 42 -8.430 6.257 -1.262 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.953 3.855 -0.644 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.737 5.805 0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.241 4.908 0.958 1.00 0.00 H new ATOM 673 N PRO A 43 -8.507 2.064 -1.290 1.00 0.00 N ATOM 674 CA PRO A 43 -9.411 0.946 -1.709 1.00 0.00 C ATOM 675 C PRO A 43 -10.382 0.288 -0.670 1.00 0.00 C ATOM 676 O PRO A 43 -10.126 0.324 0.534 1.00 0.00 O ATOM 677 CB PRO A 43 -8.419 -0.070 -2.319 1.00 0.00 C ATOM 678 CG PRO A 43 -7.066 0.641 -2.363 1.00 0.00 C ATOM 679 CD PRO A 43 -7.113 1.614 -1.187 1.00 0.00 C ATOM 0 HA PRO A 43 -10.173 1.349 -2.376 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.365 -0.975 -1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.734 -0.372 -3.318 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.242 -0.065 -2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.923 1.165 -3.308 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.900 1.128 -0.235 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.401 2.432 -1.294 1.00 0.00 H new ATOM 687 N LYS A 44 -11.458 -0.284 -1.190 1.00 0.00 N ATOM 688 CA LYS A 44 -12.444 -0.933 -0.345 1.00 0.00 C ATOM 689 C LYS A 44 -11.888 -2.270 0.148 1.00 0.00 C ATOM 690 O LYS A 44 -11.303 -3.027 -0.626 1.00 0.00 O ATOM 691 CB LYS A 44 -13.781 -1.056 -1.080 1.00 0.00 C ATOM 692 CG LYS A 44 -14.214 0.290 -1.663 1.00 0.00 C ATOM 693 CD LYS A 44 -14.971 1.120 -0.624 1.00 0.00 C ATOM 694 CE LYS A 44 -15.477 2.430 -1.231 1.00 0.00 C ATOM 695 NZ LYS A 44 -16.952 2.508 -1.140 1.00 0.00 N ATOM 0 H LYS A 44 -11.668 -0.311 -2.188 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.646 -0.327 0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.694 -1.791 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.545 -1.421 -0.393 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.338 0.841 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.848 0.126 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.813 0.545 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.317 1.335 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.029 3.276 -0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.167 2.498 -2.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.279 3.403 -1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.374 1.711 -1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.241 2.465 -0.142 1.00 0.00 H new ATOM 709 N ASN A 45 -12.089 -2.520 1.434 1.00 0.00 N ATOM 710 CA ASN A 45 -11.614 -3.753 2.039 1.00 0.00 C ATOM 711 C ASN A 45 -12.656 -4.853 1.830 1.00 0.00 C ATOM 712 O ASN A 45 -13.839 -4.567 1.654 1.00 0.00 O ATOM 713 CB ASN A 45 -11.403 -3.581 3.544 1.00 0.00 C ATOM 714 CG ASN A 45 -10.791 -2.214 3.861 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.596 -2.001 3.751 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.677 -1.305 4.257 1.00 0.00 N ATOM 0 H ASN A 45 -12.574 -1.890 2.073 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.666 -4.016 1.569 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.356 -3.685 4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.750 -4.371 3.916 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.369 -0.361 4.491 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.664 -1.552 4.327 1.00 0.00 H new ATOM 723 N SER A 46 -12.178 -6.088 1.857 1.00 0.00 N ATOM 724 CA SER A 46 -13.054 -7.234 1.672 1.00 0.00 C ATOM 725 C SER A 46 -12.917 -8.194 2.856 1.00 0.00 C ATOM 726 O SER A 46 -12.078 -7.989 3.732 1.00 0.00 O ATOM 727 CB SER A 46 -12.744 -7.959 0.362 1.00 0.00 C ATOM 728 OG SER A 46 -11.385 -8.384 0.296 1.00 0.00 O ATOM 0 H SER A 46 -11.196 -6.321 2.004 1.00 0.00 H new ATOM 0 HA SER A 46 -14.082 -6.874 1.621 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.400 -8.824 0.262 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.958 -7.298 -0.478 1.00 0.00 H new ATOM 0 HG SER A 46 -11.227 -8.844 -0.555 1.00 0.00 H new ATOM 734 N LEU A 47 -13.754 -9.220 2.844 1.00 0.00 N ATOM 735 CA LEU A 47 -13.736 -10.213 3.905 1.00 0.00 C ATOM 736 C LEU A 47 -12.662 -11.258 3.602 1.00 0.00 C ATOM 737 O LEU A 47 -12.561 -12.270 4.296 1.00 0.00 O ATOM 738 CB LEU A 47 -15.131 -10.806 4.108 1.00 0.00 C ATOM 739 CG LEU A 47 -16.192 -9.852 4.663 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.601 -10.384 4.397 1.00 0.00 C ATOM 741 CD2 LEU A 47 -15.955 -9.574 6.149 1.00 0.00 C ATOM 0 H LEU A 47 -14.449 -9.386 2.116 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.471 -9.750 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.483 -11.192 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.047 -11.657 4.784 1.00 0.00 H new ATOM 0 HG LEU A 47 -16.104 -8.900 4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.335 -9.687 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.754 -10.489 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.720 -11.355 4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.722 -8.894 6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -16.001 -10.510 6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.973 -9.120 6.282 1.00 0.00 H new ATOM 753 N LEU A 48 -11.885 -10.980 2.565 1.00 0.00 N ATOM 754 CA LEU A 48 -10.823 -11.884 2.162 1.00 0.00 C ATOM 755 C LEU A 48 -9.469 -11.264 2.516 1.00 0.00 C ATOM 756 O LEU A 48 -8.631 -11.909 3.145 1.00 0.00 O ATOM 757 CB LEU A 48 -10.962 -12.250 0.683 1.00 0.00 C ATOM 758 CG LEU A 48 -12.318 -12.819 0.258 1.00 0.00 C ATOM 759 CD1 LEU A 48 -12.537 -12.650 -1.246 1.00 0.00 C ATOM 760 CD2 LEU A 48 -12.464 -14.276 0.700 1.00 0.00 C ATOM 0 H LEU A 48 -11.971 -10.141 1.992 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.897 -12.824 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.761 -11.359 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.190 -12.979 0.435 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.100 -12.251 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.508 -13.063 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.508 -11.591 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.752 -13.176 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.436 -14.656 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.676 -14.875 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.385 -14.337 1.785 1.00 0.00 H new ATOM 772 N VAL A 49 -9.297 -10.019 2.096 1.00 0.00 N ATOM 773 CA VAL A 49 -8.059 -9.304 2.361 1.00 0.00 C ATOM 774 C VAL A 49 -8.385 -7.930 2.947 1.00 0.00 C ATOM 775 O VAL A 49 -9.481 -7.409 2.745 1.00 0.00 O ATOM 776 CB VAL A 49 -7.217 -9.226 1.086 1.00 0.00 C ATOM 777 CG1 VAL A 49 -7.213 -10.567 0.349 1.00 0.00 C ATOM 778 CG2 VAL A 49 -7.707 -8.100 0.173 1.00 0.00 C ATOM 0 H VAL A 49 -9.994 -9.487 1.574 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.459 -9.838 3.098 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.191 -9.000 1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.607 -10.484 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.795 -11.337 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.234 -10.836 0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.091 -8.066 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.745 -8.282 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.634 -7.148 0.698 1.00 0.00 H new ATOM 788 N LYS A 50 -7.414 -7.381 3.662 1.00 0.00 N ATOM 789 CA LYS A 50 -7.584 -6.077 4.279 1.00 0.00 C ATOM 790 C LYS A 50 -6.635 -5.076 3.617 1.00 0.00 C ATOM 791 O LYS A 50 -5.489 -5.407 3.318 1.00 0.00 O ATOM 792 CB LYS A 50 -7.412 -6.175 5.796 1.00 0.00 C ATOM 793 CG LYS A 50 -7.661 -4.823 6.466 1.00 0.00 C ATOM 794 CD LYS A 50 -8.881 -4.882 7.386 1.00 0.00 C ATOM 795 CE LYS A 50 -8.519 -4.445 8.807 1.00 0.00 C ATOM 796 NZ LYS A 50 -9.718 -4.460 9.675 1.00 0.00 N ATOM 0 H LYS A 50 -6.506 -7.816 3.828 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.598 -5.710 4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.104 -6.916 6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.405 -6.520 6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.782 -4.531 7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.813 -4.058 5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.668 -4.238 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.278 -5.897 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.758 -5.110 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.089 -3.443 8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.455 -4.161 10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.432 -3.807 9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.111 -5.422 9.708 1.00 0.00 H new ATOM 810 N TYR A 51 -7.148 -3.873 3.407 1.00 0.00 N ATOM 811 CA TYR A 51 -6.361 -2.822 2.785 1.00 0.00 C ATOM 812 C TYR A 51 -6.038 -1.711 3.787 1.00 0.00 C ATOM 813 O TYR A 51 -6.892 -1.323 4.584 1.00 0.00 O ATOM 814 CB TYR A 51 -7.233 -2.246 1.667 1.00 0.00 C ATOM 815 CG TYR A 51 -7.613 -3.262 0.588 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.416 -4.339 0.905 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.151 -3.102 -0.703 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.773 -5.295 -0.111 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.508 -4.057 -1.719 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.301 -5.108 -1.373 1.00 0.00 C ATOM 821 OH TYR A 51 -8.638 -6.010 -2.332 1.00 0.00 O ATOM 0 H TYR A 51 -8.099 -3.603 3.657 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.416 -3.220 2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.144 -1.838 2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.704 -1.415 1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.777 -4.465 1.915 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.522 -2.260 -0.951 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.401 -6.141 0.124 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.155 -3.942 -2.733 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.231 -5.749 -3.184 1.00 0.00 H new ATOM 831 N VAL A 52 -4.805 -1.234 3.715 1.00 0.00 N ATOM 832 CA VAL A 52 -4.360 -0.176 4.606 1.00 0.00 C ATOM 833 C VAL A 52 -3.588 0.872 3.802 1.00 0.00 C ATOM 834 O VAL A 52 -2.595 0.553 3.150 1.00 0.00 O ATOM 835 CB VAL A 52 -3.541 -0.770 5.754 1.00 0.00 C ATOM 836 CG1 VAL A 52 -2.509 0.236 6.269 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.451 -1.249 6.887 1.00 0.00 C ATOM 0 H VAL A 52 -4.100 -1.560 3.054 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.215 0.327 5.059 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.003 -1.636 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.940 -0.211 7.084 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.831 0.508 5.460 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.020 1.129 6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.843 -1.667 7.690 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.029 -0.408 7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.130 -2.014 6.510 1.00 0.00 H new ATOM 847 N CYS A 53 -4.075 2.103 3.872 1.00 0.00 N ATOM 848 CA CYS A 53 -3.445 3.199 3.158 1.00 0.00 C ATOM 849 C CYS A 53 -2.660 4.041 4.167 1.00 0.00 C ATOM 850 O CYS A 53 -2.885 3.941 5.373 1.00 0.00 O ATOM 851 CB CYS A 53 -4.468 4.038 2.390 1.00 0.00 C ATOM 852 SG CYS A 53 -5.695 3.068 1.439 1.00 0.00 S ATOM 0 H CYS A 53 -4.899 2.365 4.413 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.762 2.801 2.407 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.999 4.676 3.097 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.936 4.697 1.704 1.00 0.00 H new ATOM 857 N CYS A 54 -1.755 4.851 3.637 1.00 0.00 N ATOM 858 CA CYS A 54 -0.935 5.708 4.476 1.00 0.00 C ATOM 859 C CYS A 54 -0.307 6.787 3.591 1.00 0.00 C ATOM 860 O CYS A 54 -0.004 6.539 2.425 1.00 0.00 O ATOM 861 CB CYS A 54 0.122 4.910 5.240 1.00 0.00 C ATOM 862 SG CYS A 54 0.995 3.643 4.246 1.00 0.00 S ATOM 0 H CYS A 54 -1.572 4.932 2.637 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.558 6.179 5.236 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.858 5.604 5.646 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.356 4.420 6.089 1.00 0.00 H new ATOM 867 N ASN A 55 -0.131 7.960 4.179 1.00 0.00 N ATOM 868 CA ASN A 55 0.456 9.078 3.459 1.00 0.00 C ATOM 869 C ASN A 55 1.833 9.391 4.047 1.00 0.00 C ATOM 870 O ASN A 55 2.443 10.404 3.706 1.00 0.00 O ATOM 871 CB ASN A 55 -0.410 10.333 3.589 1.00 0.00 C ATOM 872 CG ASN A 55 -1.134 10.362 4.936 1.00 0.00 C ATOM 873 OD1 ASN A 55 -2.350 10.420 5.015 1.00 0.00 O ATOM 874 ND2 ASN A 55 -0.322 10.318 5.989 1.00 0.00 N ATOM 0 H ASN A 55 -0.384 8.162 5.146 1.00 0.00 H new ATOM 0 HA ASN A 55 0.532 8.800 2.408 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.213 11.221 3.488 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.139 10.361 2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.709 10.332 6.933 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.688 10.270 5.853 1.00 0.00 H new ATOM 881 N THR A 56 2.285 8.502 4.919 1.00 0.00 N ATOM 882 CA THR A 56 3.579 8.671 5.558 1.00 0.00 C ATOM 883 C THR A 56 4.663 7.933 4.769 1.00 0.00 C ATOM 884 O THR A 56 4.360 7.042 3.976 1.00 0.00 O ATOM 885 CB THR A 56 3.456 8.201 7.008 1.00 0.00 C ATOM 886 OG1 THR A 56 2.723 6.983 6.917 1.00 0.00 O ATOM 887 CG2 THR A 56 2.559 9.114 7.846 1.00 0.00 C ATOM 0 H THR A 56 1.778 7.662 5.198 1.00 0.00 H new ATOM 0 HA THR A 56 3.883 9.718 5.566 1.00 0.00 H new ATOM 0 HB THR A 56 4.447 8.153 7.459 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.599 6.608 7.814 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.506 8.735 8.867 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.973 10.122 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.558 9.136 7.415 1.00 0.00 H new ATOM 895 N ASP A 57 5.903 8.330 5.015 1.00 0.00 N ATOM 896 CA ASP A 57 7.033 7.717 4.338 1.00 0.00 C ATOM 897 C ASP A 57 7.337 6.363 4.984 1.00 0.00 C ATOM 898 O ASP A 57 7.022 6.146 6.154 1.00 0.00 O ATOM 899 CB ASP A 57 8.285 8.588 4.456 1.00 0.00 C ATOM 900 CG ASP A 57 8.302 9.821 3.551 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.238 10.470 3.455 1.00 0.00 O ATOM 902 OD2 ASP A 57 9.378 10.087 2.974 1.00 0.00 O ATOM 0 H ASP A 57 6.150 9.069 5.674 1.00 0.00 H new ATOM 0 HA ASP A 57 6.772 7.601 3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.386 8.914 5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.158 7.976 4.228 1.00 0.00 H new ATOM 907 N ARG A 58 7.943 5.489 4.195 1.00 0.00 N ATOM 908 CA ARG A 58 8.292 4.163 4.676 1.00 0.00 C ATOM 909 C ARG A 58 7.206 3.635 5.615 1.00 0.00 C ATOM 910 O ARG A 58 7.507 3.078 6.668 1.00 0.00 O ATOM 911 CB ARG A 58 9.632 4.181 5.416 1.00 0.00 C ATOM 912 CG ARG A 58 10.788 4.450 4.452 1.00 0.00 C ATOM 913 CD ARG A 58 11.918 5.210 5.149 1.00 0.00 C ATOM 914 NE ARG A 58 11.461 6.568 5.522 1.00 0.00 N ATOM 915 CZ ARG A 58 12.279 7.555 5.909 1.00 0.00 C ATOM 916 NH1 ARG A 58 13.602 7.343 5.977 1.00 0.00 N ATOM 917 NH2 ARG A 58 11.777 8.756 6.228 1.00 0.00 N ATOM 0 H ARG A 58 8.201 5.673 3.226 1.00 0.00 H new ATOM 0 HA ARG A 58 8.377 3.508 3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.614 4.948 6.190 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.787 3.226 5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.167 3.506 4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.429 5.027 3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.237 4.668 6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.783 5.277 4.489 1.00 0.00 H new ATOM 0 HE ARG A 58 10.461 6.764 5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.985 6.430 5.734 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.225 8.095 6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.771 8.919 6.176 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.401 9.507 6.523 1.00 0.00 H new ATOM 931 N CYS A 59 5.962 3.832 5.199 1.00 0.00 N ATOM 932 CA CYS A 59 4.829 3.382 5.989 1.00 0.00 C ATOM 933 C CYS A 59 4.554 1.917 5.645 1.00 0.00 C ATOM 934 O CYS A 59 4.421 1.081 6.537 1.00 0.00 O ATOM 935 CB CYS A 59 3.598 4.263 5.764 1.00 0.00 C ATOM 936 SG CYS A 59 2.904 4.194 4.072 1.00 0.00 S ATOM 0 H CYS A 59 5.715 4.297 4.325 1.00 0.00 H new ATOM 0 HA CYS A 59 5.066 3.466 7.050 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.823 3.968 6.472 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.861 5.296 5.992 1.00 0.00 H new ATOM 941 N ASN A 60 4.476 1.652 4.349 1.00 0.00 N ATOM 942 CA ASN A 60 4.219 0.302 3.876 1.00 0.00 C ATOM 943 C ASN A 60 5.509 -0.288 3.304 1.00 0.00 C ATOM 944 O ASN A 60 6.240 0.391 2.583 1.00 0.00 O ATOM 945 CB ASN A 60 3.165 0.299 2.767 1.00 0.00 C ATOM 946 CG ASN A 60 3.762 0.778 1.442 1.00 0.00 C ATOM 947 OD1 ASN A 60 3.599 1.916 1.033 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.460 -0.152 0.795 1.00 0.00 N ATOM 0 H ASN A 60 4.586 2.349 3.612 1.00 0.00 H new ATOM 0 HA ASN A 60 3.858 -0.288 4.719 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.762 -0.707 2.646 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.333 0.944 3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.898 0.069 -0.100 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.558 -1.086 1.194 1.00 0.00 H new