USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 511 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 Single : A 0 MET CE :methyl -165:sc= -0.0166 (180deg=-0.302) USER MOD Single : A 0 MET N :NH3+ -139:sc= -0.0462 (180deg=-0.778) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0.161 K(o=0.16,f=-5.4!) USER MOD Single : A 5 LYS NZ :NH3+ -168:sc= 1.04 (180deg=0.921) 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+ -171:sc= 0.295 (180deg=0.155) USER MOD Single : A 19 ASN : amide:sc= -0.331 K(o=-0.33,f=-3.3!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0.829 (180deg=0.829) USER MOD Single : A 24 MET CE :methyl -129:sc= 0 (180deg=-1.05) USER MOD Single : A 26 MET CE :methyl -159:sc= 0 (180deg=-0.442) USER MOD Single : A 27 MET CE :methyl -165:sc= -0.0299 (180deg=-0.315) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.726 K(o=0.73,f=-3.6!) USER MOD Single : A 46 SER OG : rot -16:sc= 1.6 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= 0.0385 K(o=0.039,f=-4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 60 ASN : amide:sc= -8.24! C(o=-8.2!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -9.779 10.156 -0.201 1.00 0.00 N ATOM 2 CA MET A 0 -8.690 10.331 -1.149 1.00 0.00 C ATOM 3 C MET A 0 -8.602 9.145 -2.110 1.00 0.00 C ATOM 4 O MET A 0 -9.624 8.588 -2.509 1.00 0.00 O ATOM 5 CB MET A 0 -7.369 10.513 -0.403 1.00 0.00 C ATOM 6 CG MET A 0 -7.365 11.658 0.600 1.00 0.00 C ATOM 7 SD MET A 0 -7.479 13.275 -0.191 1.00 0.00 S ATOM 8 CE MET A 0 -5.852 13.409 -0.926 1.00 0.00 C ATOM 0 H1 MET A 0 -10.272 11.062 -0.067 1.00 0.00 H new ATOM 0 H2 MET A 0 -10.448 9.449 -0.567 1.00 0.00 H new ATOM 0 H3 MET A 0 -9.397 9.832 0.710 1.00 0.00 H new ATOM 0 HA MET A 0 -8.890 11.226 -1.738 1.00 0.00 H new ATOM 0 HB2 MET A 0 -7.131 9.587 0.120 1.00 0.00 H new ATOM 0 HB3 MET A 0 -6.575 10.681 -1.131 1.00 0.00 H new ATOM 0 HG2 MET A 0 -8.201 11.535 1.289 1.00 0.00 H new ATOM 0 HG3 MET A 0 -6.452 11.612 1.194 1.00 0.00 H new ATOM 0 HE1 MET A 0 -5.669 14.443 -1.218 1.00 0.00 H new ATOM 0 HE2 MET A 0 -5.099 13.097 -0.202 1.00 0.00 H new ATOM 0 HE3 MET A 0 -5.796 12.768 -1.806 1.00 0.00 H new ATOM 21 N LEU A 1 -7.372 8.793 -2.456 1.00 0.00 N ATOM 22 CA LEU A 1 -7.135 7.641 -3.310 1.00 0.00 C ATOM 23 C LEU A 1 -7.440 6.361 -2.529 1.00 0.00 C ATOM 24 O LEU A 1 -7.843 6.419 -1.369 1.00 0.00 O ATOM 25 CB LEU A 1 -5.691 7.641 -3.825 1.00 0.00 C ATOM 26 CG LEU A 1 -5.313 8.834 -4.711 1.00 0.00 C ATOM 27 CD1 LEU A 1 -3.820 8.811 -5.008 1.00 0.00 C ATOM 28 CD2 LEU A 1 -6.119 8.786 -6.000 1.00 0.00 C ATOM 0 H LEU A 1 -6.529 9.285 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 1 -7.794 7.691 -4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -5.017 7.617 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -5.523 6.723 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.543 9.762 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -3.561 9.662 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -3.262 8.868 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -3.566 7.886 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -5.850 9.634 -6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -5.903 7.858 -6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.183 8.831 -5.766 1.00 0.00 H new ATOM 40 N LYS A 2 -7.238 5.236 -3.197 1.00 0.00 N ATOM 41 CA LYS A 2 -7.615 3.952 -2.633 1.00 0.00 C ATOM 42 C LYS A 2 -6.446 2.974 -2.774 1.00 0.00 C ATOM 43 O LYS A 2 -5.806 2.912 -3.823 1.00 0.00 O ATOM 44 CB LYS A 2 -8.867 3.403 -3.320 1.00 0.00 C ATOM 45 CG LYS A 2 -10.080 4.322 -3.246 1.00 0.00 C ATOM 46 CD LYS A 2 -11.263 3.738 -4.004 1.00 0.00 C ATOM 47 CE LYS A 2 -12.459 4.679 -3.974 1.00 0.00 C ATOM 48 NZ LYS A 2 -13.612 4.137 -4.741 1.00 0.00 N ATOM 0 H LYS A 2 -6.817 5.187 -4.125 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.848 4.081 -1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.636 3.210 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.124 2.445 -2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.356 4.480 -2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.826 5.298 -3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -10.976 3.545 -5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.541 2.779 -3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.759 4.851 -2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.171 5.646 -4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.405 4.808 -4.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.334 3.997 -5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.904 3.227 -4.331 1.00 0.00 H new ATOM 62 N CYS A 3 -6.203 2.236 -1.701 1.00 0.00 N ATOM 63 CA CYS A 3 -5.189 1.196 -1.723 1.00 0.00 C ATOM 64 C CYS A 3 -5.837 -0.120 -1.293 1.00 0.00 C ATOM 65 O CYS A 3 -6.871 -0.117 -0.626 1.00 0.00 O ATOM 66 CB CYS A 3 -3.991 1.557 -0.842 1.00 0.00 C ATOM 67 SG CYS A 3 -3.136 3.107 -1.307 1.00 0.00 S ATOM 0 H CYS A 3 -6.691 2.338 -0.811 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.796 1.091 -2.734 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.330 1.641 0.191 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.273 0.738 -0.876 1.00 0.00 H new ATOM 73 N ASN A 4 -5.204 -1.214 -1.692 1.00 0.00 N ATOM 74 CA ASN A 4 -5.735 -2.534 -1.397 1.00 0.00 C ATOM 75 C ASN A 4 -5.344 -2.930 0.027 1.00 0.00 C ATOM 76 O ASN A 4 -4.363 -2.425 0.569 1.00 0.00 O ATOM 77 CB ASN A 4 -5.256 -3.569 -2.399 1.00 0.00 C ATOM 78 CG ASN A 4 -5.769 -3.345 -3.794 1.00 0.00 C ATOM 79 OD1 ASN A 4 -6.881 -2.844 -3.995 1.00 0.00 O ATOM 80 ND2 ASN A 4 -5.001 -3.789 -4.756 1.00 0.00 N ATOM 0 H ASN A 4 -4.329 -1.213 -2.217 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.821 -2.496 -1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.166 -3.566 -2.418 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.566 -4.558 -2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.312 -3.730 -5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.091 -4.194 -4.536 1.00 0.00 H new ATOM 87 N LYS A 5 -6.131 -3.834 0.593 1.00 0.00 N ATOM 88 CA LYS A 5 -5.907 -4.271 1.960 1.00 0.00 C ATOM 89 C LYS A 5 -6.154 -5.777 2.058 1.00 0.00 C ATOM 90 O LYS A 5 -5.216 -6.569 1.998 1.00 0.00 O ATOM 91 CB LYS A 5 -6.812 -3.510 2.932 1.00 0.00 C ATOM 92 CG LYS A 5 -6.493 -2.026 3.056 1.00 0.00 C ATOM 93 CD LYS A 5 -5.115 -1.805 3.661 1.00 0.00 C ATOM 94 CE LYS A 5 -4.981 -2.501 5.007 1.00 0.00 C ATOM 95 NZ LYS A 5 -3.836 -1.972 5.796 1.00 0.00 N ATOM 0 H LYS A 5 -6.925 -4.276 0.129 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.874 -4.058 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.847 -3.621 2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.735 -3.970 3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.540 -1.558 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.247 -1.540 3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.352 -2.180 2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.937 -0.737 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.903 -2.373 5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.849 -3.572 4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.653 -2.599 6.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.990 -1.929 5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.064 -1.018 6.142 1.00 0.00 H new ATOM 109 N LEU A 6 -7.423 -6.126 2.206 1.00 0.00 N ATOM 110 CA LEU A 6 -7.808 -7.524 2.324 1.00 0.00 C ATOM 111 C LEU A 6 -8.043 -8.103 0.928 1.00 0.00 C ATOM 112 O LEU A 6 -8.708 -7.483 0.100 1.00 0.00 O ATOM 113 CB LEU A 6 -9.060 -7.668 3.198 1.00 0.00 C ATOM 114 CG LEU A 6 -9.550 -9.107 3.403 1.00 0.00 C ATOM 115 CD1 LEU A 6 -8.527 -9.898 4.206 1.00 0.00 C ATOM 116 CD2 LEU A 6 -10.895 -9.090 4.113 1.00 0.00 C ATOM 0 H LEU A 6 -8.199 -5.465 2.247 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.005 -8.080 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.855 -7.228 4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.866 -7.087 2.749 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.671 -9.591 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.884 -10.918 4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.578 -9.916 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.385 -9.427 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -11.243 -10.113 4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -10.789 -8.602 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.619 -8.543 3.508 1.00 0.00 H new ATOM 128 N VAL A 7 -7.485 -9.284 0.712 1.00 0.00 N ATOM 129 CA VAL A 7 -7.676 -9.981 -0.550 1.00 0.00 C ATOM 130 C VAL A 7 -9.158 -10.322 -0.720 1.00 0.00 C ATOM 131 O VAL A 7 -9.882 -10.474 0.261 1.00 0.00 O ATOM 132 CB VAL A 7 -6.834 -11.268 -0.628 1.00 0.00 C ATOM 133 CG1 VAL A 7 -5.351 -10.940 -0.549 1.00 0.00 C ATOM 134 CG2 VAL A 7 -7.226 -12.230 0.482 1.00 0.00 C ATOM 0 H VAL A 7 -6.901 -9.776 1.388 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.346 -9.322 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.030 -11.750 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.771 -11.861 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.078 -10.288 -1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.140 -10.436 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.621 -13.134 0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.059 -11.757 1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.280 -12.490 0.382 1.00 0.00 H new ATOM 144 N PRO A 8 -9.575 -10.438 -2.009 1.00 0.00 N ATOM 145 CA PRO A 8 -8.645 -10.286 -3.116 1.00 0.00 C ATOM 146 C PRO A 8 -8.457 -8.811 -3.476 1.00 0.00 C ATOM 147 O PRO A 8 -7.340 -8.373 -3.744 1.00 0.00 O ATOM 148 CB PRO A 8 -9.287 -11.085 -4.254 1.00 0.00 C ATOM 149 CG PRO A 8 -10.754 -10.946 -4.024 1.00 0.00 C ATOM 150 CD PRO A 8 -10.917 -10.865 -2.530 1.00 0.00 C ATOM 0 HA PRO A 8 -7.643 -10.648 -2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.999 -10.691 -5.228 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.978 -12.130 -4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.145 -10.053 -4.511 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.298 -11.797 -4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.691 -10.148 -2.257 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.213 -11.828 -2.114 1.00 0.00 H new ATOM 158 N ILE A 9 -9.566 -8.088 -3.471 1.00 0.00 N ATOM 159 CA ILE A 9 -9.595 -6.756 -4.054 1.00 0.00 C ATOM 160 C ILE A 9 -9.859 -5.729 -2.954 1.00 0.00 C ATOM 161 O ILE A 9 -9.531 -4.552 -3.105 1.00 0.00 O ATOM 162 CB ILE A 9 -10.669 -6.632 -5.150 1.00 0.00 C ATOM 163 CG1 ILE A 9 -10.434 -7.672 -6.248 1.00 0.00 C ATOM 164 CG2 ILE A 9 -10.671 -5.227 -5.736 1.00 0.00 C ATOM 165 CD1 ILE A 9 -9.092 -7.549 -6.930 1.00 0.00 C ATOM 0 H ILE A 9 -10.452 -8.398 -3.073 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.627 -6.570 -4.519 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.645 -6.819 -4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.521 -8.669 -5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.221 -7.580 -6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.436 -5.156 -6.509 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.884 -4.504 -4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.695 -5.013 -6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.001 -8.320 -7.695 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.008 -6.566 -7.394 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.297 -7.672 -6.194 1.00 0.00 H new ATOM 177 N ALA A 10 -10.449 -6.208 -1.867 1.00 0.00 N ATOM 178 CA ALA A 10 -10.933 -5.321 -0.825 1.00 0.00 C ATOM 179 C ALA A 10 -9.908 -4.211 -0.586 1.00 0.00 C ATOM 180 O ALA A 10 -8.712 -4.477 -0.496 1.00 0.00 O ATOM 181 CB ALA A 10 -11.223 -6.128 0.441 1.00 0.00 C ATOM 0 H ALA A 10 -10.602 -7.200 -1.687 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.866 -4.847 -1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.586 -5.461 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.980 -6.882 0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.309 -6.618 0.778 1.00 0.00 H new ATOM 187 N TYR A 11 -10.413 -2.990 -0.493 1.00 0.00 N ATOM 188 CA TYR A 11 -9.550 -1.826 -0.418 1.00 0.00 C ATOM 189 C TYR A 11 -10.078 -0.815 0.603 1.00 0.00 C ATOM 190 O TYR A 11 -11.245 -0.869 0.989 1.00 0.00 O ATOM 191 CB TYR A 11 -9.577 -1.188 -1.809 1.00 0.00 C ATOM 192 CG TYR A 11 -10.981 -0.827 -2.300 1.00 0.00 C ATOM 193 CD1 TYR A 11 -11.513 0.416 -2.020 1.00 0.00 C ATOM 194 CD2 TYR A 11 -11.716 -1.746 -3.023 1.00 0.00 C ATOM 195 CE1 TYR A 11 -12.834 0.754 -2.480 1.00 0.00 C ATOM 196 CE2 TYR A 11 -13.038 -1.406 -3.484 1.00 0.00 C ATOM 197 CZ TYR A 11 -13.531 -0.174 -3.189 1.00 0.00 C ATOM 198 OH TYR A 11 -14.778 0.147 -3.626 1.00 0.00 O ATOM 0 H TYR A 11 -11.411 -2.782 -0.468 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.545 -2.115 -0.110 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.965 -0.286 -1.796 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.119 -1.874 -2.521 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.938 1.135 -1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -11.300 -2.718 -3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -13.262 1.722 -2.267 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.624 -2.114 -4.051 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.157 -0.610 -4.119 1.00 0.00 H new ATOM 208 N LYS A 12 -9.193 0.083 1.012 1.00 0.00 N ATOM 209 CA LYS A 12 -9.554 1.105 1.980 1.00 0.00 C ATOM 210 C LYS A 12 -9.224 2.484 1.406 1.00 0.00 C ATOM 211 O LYS A 12 -8.391 2.604 0.509 1.00 0.00 O ATOM 212 CB LYS A 12 -8.827 0.881 3.307 1.00 0.00 C ATOM 213 CG LYS A 12 -9.389 -0.256 4.149 1.00 0.00 C ATOM 214 CD LYS A 12 -8.715 -0.321 5.512 1.00 0.00 C ATOM 215 CE LYS A 12 -9.314 -1.423 6.374 1.00 0.00 C ATOM 216 NZ LYS A 12 -8.719 -1.446 7.738 1.00 0.00 N ATOM 0 H LYS A 12 -8.226 0.124 0.690 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.624 1.046 2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.776 0.679 3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.867 1.802 3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.463 -0.119 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.249 -1.202 3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.647 -0.497 5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.821 0.638 6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.392 -1.279 6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.155 -2.388 5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.154 -2.210 8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.694 -1.609 7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.893 -0.535 8.208 1.00 0.00 H new ATOM 230 N THR A 13 -9.895 3.491 1.947 1.00 0.00 N ATOM 231 CA THR A 13 -9.681 4.857 1.504 1.00 0.00 C ATOM 232 C THR A 13 -8.441 5.449 2.178 1.00 0.00 C ATOM 233 O THR A 13 -8.307 5.391 3.399 1.00 0.00 O ATOM 234 CB THR A 13 -10.902 5.747 1.801 1.00 0.00 C ATOM 235 OG1 THR A 13 -12.053 5.225 1.124 1.00 0.00 O ATOM 236 CG2 THR A 13 -10.648 7.173 1.337 1.00 0.00 C ATOM 0 H THR A 13 -10.588 3.387 2.689 1.00 0.00 H new ATOM 0 HA THR A 13 -9.531 4.829 0.425 1.00 0.00 H new ATOM 0 HB THR A 13 -11.076 5.752 2.877 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.830 5.791 1.315 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.521 7.788 1.555 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.781 7.577 1.860 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.460 7.178 0.263 1.00 0.00 H new ATOM 244 N CYS A 14 -7.567 6.005 1.352 1.00 0.00 N ATOM 245 CA CYS A 14 -6.311 6.545 1.847 1.00 0.00 C ATOM 246 C CYS A 14 -6.617 7.793 2.676 1.00 0.00 C ATOM 247 O CYS A 14 -7.573 8.511 2.393 1.00 0.00 O ATOM 248 CB CYS A 14 -5.335 6.840 0.707 1.00 0.00 C ATOM 249 SG CYS A 14 -4.711 5.363 -0.176 1.00 0.00 S ATOM 0 H CYS A 14 -7.703 6.093 0.345 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.817 5.806 2.477 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.827 7.494 -0.013 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.485 7.391 1.110 1.00 0.00 H new ATOM 255 N PRO A 15 -5.763 8.019 3.711 1.00 0.00 N ATOM 256 CA PRO A 15 -5.887 9.206 4.538 1.00 0.00 C ATOM 257 C PRO A 15 -5.352 10.441 3.810 1.00 0.00 C ATOM 258 O PRO A 15 -4.522 10.324 2.912 1.00 0.00 O ATOM 259 CB PRO A 15 -5.071 8.871 5.791 1.00 0.00 C ATOM 260 CG PRO A 15 -3.983 7.979 5.299 1.00 0.00 C ATOM 261 CD PRO A 15 -4.603 7.170 4.190 1.00 0.00 C ATOM 0 HA PRO A 15 -6.921 9.451 4.781 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.667 9.771 6.254 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.684 8.373 6.542 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.134 8.558 4.936 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.612 7.335 6.096 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.889 6.982 3.388 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.943 6.198 4.548 1.00 0.00 H new ATOM 269 N GLU A 16 -5.854 11.596 4.224 1.00 0.00 N ATOM 270 CA GLU A 16 -5.479 12.846 3.586 1.00 0.00 C ATOM 271 C GLU A 16 -3.960 13.025 3.619 1.00 0.00 C ATOM 272 O GLU A 16 -3.327 12.790 4.646 1.00 0.00 O ATOM 273 CB GLU A 16 -6.174 14.028 4.268 1.00 0.00 C ATOM 274 CG GLU A 16 -5.868 15.381 3.644 1.00 0.00 C ATOM 275 CD GLU A 16 -6.622 16.484 4.335 1.00 0.00 C ATOM 276 OE1 GLU A 16 -7.361 16.192 5.244 1.00 0.00 O ATOM 277 OE2 GLU A 16 -6.377 17.627 4.029 1.00 0.00 O ATOM 0 H GLU A 16 -6.517 11.692 4.993 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.802 12.813 2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.251 13.865 4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.880 14.051 5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.797 15.577 3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.132 15.364 2.586 1.00 0.00 H new ATOM 285 N GLY A 17 -3.420 13.443 2.483 1.00 0.00 N ATOM 286 CA GLY A 17 -2.002 13.744 2.395 1.00 0.00 C ATOM 287 C GLY A 17 -1.226 12.558 1.819 1.00 0.00 C ATOM 288 O GLY A 17 -0.078 12.706 1.403 1.00 0.00 O ATOM 0 H GLY A 17 -3.940 13.580 1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.851 14.622 1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.616 13.990 3.384 1.00 0.00 H new ATOM 292 N LYS A 18 -1.883 11.406 1.812 1.00 0.00 N ATOM 293 CA LYS A 18 -1.282 10.206 1.261 1.00 0.00 C ATOM 294 C LYS A 18 -1.814 9.976 -0.155 1.00 0.00 C ATOM 295 O LYS A 18 -2.952 10.336 -0.459 1.00 0.00 O ATOM 296 CB LYS A 18 -1.571 8.996 2.151 1.00 0.00 C ATOM 297 CG LYS A 18 -1.188 9.185 3.614 1.00 0.00 C ATOM 298 CD LYS A 18 0.270 9.597 3.755 1.00 0.00 C ATOM 299 CE LYS A 18 0.689 9.658 5.216 1.00 0.00 C ATOM 300 NZ LYS A 18 2.027 10.286 5.385 1.00 0.00 N ATOM 0 H LYS A 18 -2.826 11.280 2.180 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.201 10.336 1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.634 8.764 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.034 8.133 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.828 9.944 4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.361 8.258 4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.904 8.888 3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.421 10.571 3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.051 10.223 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.706 8.650 5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.342 10.172 6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.709 9.827 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.967 11.299 5.156 1.00 0.00 H new ATOM 314 N ASN A 19 -0.968 9.383 -0.982 1.00 0.00 N ATOM 315 CA ASN A 19 -1.234 9.322 -2.410 1.00 0.00 C ATOM 316 C ASN A 19 -0.932 7.913 -2.923 1.00 0.00 C ATOM 317 O ASN A 19 -1.763 7.297 -3.588 1.00 0.00 O ATOM 318 CB ASN A 19 -0.435 10.358 -3.178 1.00 0.00 C ATOM 319 CG ASN A 19 -0.712 10.364 -4.656 1.00 0.00 C ATOM 320 OD1 ASN A 19 -0.356 9.425 -5.378 1.00 0.00 O ATOM 321 ND2 ASN A 19 -1.270 11.451 -5.121 1.00 0.00 N ATOM 0 H ASN A 19 -0.097 8.940 -0.691 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.287 9.550 -2.573 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.654 11.346 -2.773 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.628 10.176 -3.018 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.430 11.553 -6.123 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.545 12.197 -4.482 1.00 0.00 H new ATOM 328 N LEU A 20 0.262 7.442 -2.591 1.00 0.00 N ATOM 329 CA LEU A 20 0.798 6.251 -3.228 1.00 0.00 C ATOM 330 C LEU A 20 0.277 5.010 -2.500 1.00 0.00 C ATOM 331 O LEU A 20 -0.063 5.074 -1.320 1.00 0.00 O ATOM 332 CB LEU A 20 2.332 6.284 -3.230 1.00 0.00 C ATOM 333 CG LEU A 20 2.958 7.580 -3.760 1.00 0.00 C ATOM 334 CD1 LEU A 20 4.471 7.530 -3.607 1.00 0.00 C ATOM 335 CD2 LEU A 20 2.569 7.771 -5.219 1.00 0.00 C ATOM 0 H LEU A 20 0.872 7.863 -1.890 1.00 0.00 H new ATOM 0 HA LEU A 20 0.468 6.217 -4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.684 6.120 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.696 5.451 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 20 2.586 8.427 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.906 8.455 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.727 7.414 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.866 6.685 -4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.013 8.692 -5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.931 6.926 -5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.484 7.832 -5.301 1.00 0.00 H new ATOM 347 N CYS A 21 0.229 3.907 -3.235 1.00 0.00 N ATOM 348 CA CYS A 21 -0.196 2.642 -2.662 1.00 0.00 C ATOM 349 C CYS A 21 1.007 1.699 -2.635 1.00 0.00 C ATOM 350 O CYS A 21 1.641 1.463 -3.663 1.00 0.00 O ATOM 351 CB CYS A 21 -1.374 2.042 -3.430 1.00 0.00 C ATOM 352 SG CYS A 21 -2.933 2.993 -3.312 1.00 0.00 S ATOM 0 H CYS A 21 0.478 3.865 -4.223 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.554 2.802 -1.645 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.097 1.954 -4.481 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.553 1.032 -3.062 1.00 0.00 H new ATOM 358 N TYR A 22 1.287 1.184 -1.446 1.00 0.00 N ATOM 359 CA TYR A 22 2.459 0.345 -1.251 1.00 0.00 C ATOM 360 C TYR A 22 2.062 -1.038 -0.734 1.00 0.00 C ATOM 361 O TYR A 22 0.972 -1.213 -0.190 1.00 0.00 O ATOM 362 CB TYR A 22 3.436 1.013 -0.282 1.00 0.00 C ATOM 363 CG TYR A 22 2.989 0.978 1.162 1.00 0.00 C ATOM 364 CD1 TYR A 22 3.321 -0.088 1.985 1.00 0.00 C ATOM 365 CD2 TYR A 22 2.236 2.012 1.698 1.00 0.00 C ATOM 366 CE1 TYR A 22 2.915 -0.126 3.305 1.00 0.00 C ATOM 367 CE2 TYR A 22 1.824 1.986 3.017 1.00 0.00 C ATOM 368 CZ TYR A 22 2.165 0.916 3.817 1.00 0.00 C ATOM 369 OH TYR A 22 1.759 0.884 5.132 1.00 0.00 O ATOM 0 H TYR A 22 0.723 1.331 -0.609 1.00 0.00 H new ATOM 0 HA TYR A 22 2.951 0.219 -2.216 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.406 0.522 -0.364 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.578 2.051 -0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.907 -0.903 1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.967 2.852 1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.182 -0.964 3.932 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.238 2.799 3.419 1.00 0.00 H new ATOM 0 HH TYR A 22 1.242 1.691 5.334 1.00 0.00 H new ATOM 379 N LYS A 23 2.966 -1.987 -0.921 1.00 0.00 N ATOM 380 CA LYS A 23 2.776 -3.321 -0.376 1.00 0.00 C ATOM 381 C LYS A 23 4.065 -3.772 0.316 1.00 0.00 C ATOM 382 O LYS A 23 5.159 -3.371 -0.078 1.00 0.00 O ATOM 383 CB LYS A 23 2.377 -4.307 -1.475 1.00 0.00 C ATOM 384 CG LYS A 23 3.382 -4.423 -2.612 1.00 0.00 C ATOM 385 CD LYS A 23 2.932 -5.444 -3.647 1.00 0.00 C ATOM 386 CE LYS A 23 1.474 -5.239 -4.030 1.00 0.00 C ATOM 387 NZ LYS A 23 1.042 -6.177 -5.102 1.00 0.00 N ATOM 0 H LYS A 23 3.833 -1.859 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 23 1.967 -3.297 0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.236 -5.292 -1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.415 -4.003 -1.887 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.509 -3.451 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.354 -4.711 -2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.558 -5.364 -4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.068 -6.450 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.845 -5.379 -3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.328 -4.212 -4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.043 -6.004 -5.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.625 -6.027 -5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.156 -7.157 -4.773 1.00 0.00 H new ATOM 401 N MET A 24 3.892 -4.602 1.335 1.00 0.00 N ATOM 402 CA MET A 24 5.019 -5.054 2.130 1.00 0.00 C ATOM 403 C MET A 24 5.219 -6.565 1.993 1.00 0.00 C ATOM 404 O MET A 24 4.254 -7.326 2.027 1.00 0.00 O ATOM 405 CB MET A 24 4.815 -4.673 3.594 1.00 0.00 C ATOM 406 CG MET A 24 4.810 -3.174 3.860 1.00 0.00 C ATOM 407 SD MET A 24 4.675 -2.779 5.615 1.00 0.00 S ATOM 408 CE MET A 24 2.947 -3.140 5.912 1.00 0.00 C ATOM 0 H MET A 24 2.988 -4.973 1.627 1.00 0.00 H new ATOM 0 HA MET A 24 5.918 -4.562 1.759 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.870 -5.094 3.938 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.604 -5.133 4.190 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.725 -2.736 3.462 1.00 0.00 H new ATOM 0 HG3 MET A 24 3.978 -2.717 3.324 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.478 -2.290 6.408 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.446 -3.328 4.962 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.863 -4.022 6.547 1.00 0.00 H new ATOM 418 N PHE A 25 6.477 -6.951 1.840 1.00 0.00 N ATOM 419 CA PHE A 25 6.826 -8.361 1.799 1.00 0.00 C ATOM 420 C PHE A 25 7.655 -8.757 3.025 1.00 0.00 C ATOM 421 O PHE A 25 8.080 -7.896 3.793 1.00 0.00 O ATOM 422 CB PHE A 25 7.666 -8.577 0.540 1.00 0.00 C ATOM 423 CG PHE A 25 6.951 -8.200 -0.758 1.00 0.00 C ATOM 424 CD1 PHE A 25 6.337 -9.158 -1.501 1.00 0.00 C ATOM 425 CD2 PHE A 25 6.932 -6.903 -1.169 1.00 0.00 C ATOM 426 CE1 PHE A 25 5.674 -8.805 -2.706 1.00 0.00 C ATOM 427 CE2 PHE A 25 6.270 -6.550 -2.373 1.00 0.00 C ATOM 428 CZ PHE A 25 5.654 -7.509 -3.118 1.00 0.00 C ATOM 0 H PHE A 25 7.267 -6.313 1.743 1.00 0.00 H new ATOM 0 HA PHE A 25 5.921 -8.968 1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.581 -7.991 0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.962 -9.625 0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.353 -10.188 -1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.421 -6.142 -0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.185 -9.566 -3.296 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.255 -5.520 -2.699 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.150 -7.241 -4.035 1.00 0.00 H new ATOM 438 N MET A 26 7.855 -10.058 3.169 1.00 0.00 N ATOM 439 CA MET A 26 8.785 -10.566 4.162 1.00 0.00 C ATOM 440 C MET A 26 9.931 -11.332 3.499 1.00 0.00 C ATOM 441 O MET A 26 9.736 -11.983 2.474 1.00 0.00 O ATOM 442 CB MET A 26 8.052 -11.462 5.159 1.00 0.00 C ATOM 443 CG MET A 26 7.006 -10.743 6.000 1.00 0.00 C ATOM 444 SD MET A 26 6.181 -11.840 7.171 1.00 0.00 S ATOM 445 CE MET A 26 5.120 -10.681 8.030 1.00 0.00 C ATOM 0 H MET A 26 7.389 -10.776 2.614 1.00 0.00 H new ATOM 0 HA MET A 26 9.212 -9.717 4.697 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.568 -12.272 4.613 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.784 -11.919 5.825 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.482 -9.928 6.545 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.262 -10.295 5.342 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.834 -11.097 8.996 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.654 -9.743 8.182 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.225 -10.497 7.435 1.00 0.00 H new ATOM 455 N MET A 27 11.103 -11.227 4.109 1.00 0.00 N ATOM 456 CA MET A 27 12.258 -11.976 3.645 1.00 0.00 C ATOM 457 C MET A 27 11.934 -13.467 3.526 1.00 0.00 C ATOM 458 O MET A 27 12.599 -14.193 2.791 1.00 0.00 O ATOM 459 CB MET A 27 13.439 -11.760 4.589 1.00 0.00 C ATOM 460 CG MET A 27 14.094 -10.391 4.474 1.00 0.00 C ATOM 461 SD MET A 27 14.760 -10.075 2.827 1.00 0.00 S ATOM 462 CE MET A 27 16.100 -11.261 2.771 1.00 0.00 C ATOM 0 H MET A 27 11.277 -10.634 4.921 1.00 0.00 H new ATOM 0 HA MET A 27 12.527 -11.610 2.654 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.099 -11.901 5.615 1.00 0.00 H new ATOM 0 HB3 MET A 27 14.190 -12.526 4.393 1.00 0.00 H new ATOM 0 HG2 MET A 27 13.363 -9.621 4.720 1.00 0.00 H new ATOM 0 HG3 MET A 27 14.897 -10.314 5.207 1.00 0.00 H new ATOM 0 HE1 MET A 27 16.768 -11.017 1.945 1.00 0.00 H new ATOM 0 HE2 MET A 27 16.655 -11.227 3.708 1.00 0.00 H new ATOM 0 HE3 MET A 27 15.694 -12.262 2.625 1.00 0.00 H new ATOM 472 N SER A 28 10.911 -13.878 4.262 1.00 0.00 N ATOM 473 CA SER A 28 10.311 -15.183 4.047 1.00 0.00 C ATOM 474 C SER A 28 9.662 -15.240 2.663 1.00 0.00 C ATOM 475 O SER A 28 10.222 -15.819 1.733 1.00 0.00 O ATOM 476 CB SER A 28 9.296 -15.480 5.134 1.00 0.00 C ATOM 477 OG SER A 28 8.689 -16.730 4.958 1.00 0.00 O ATOM 0 H SER A 28 10.483 -13.330 5.008 1.00 0.00 H new ATOM 0 HA SER A 28 11.090 -15.944 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.787 -15.449 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.531 -14.703 5.138 1.00 0.00 H new ATOM 0 HG SER A 28 8.043 -16.885 5.679 1.00 0.00 H new ATOM 483 N ASP A 29 8.490 -14.629 2.570 1.00 0.00 N ATOM 484 CA ASP A 29 7.706 -14.698 1.348 1.00 0.00 C ATOM 485 C ASP A 29 7.890 -13.399 0.557 1.00 0.00 C ATOM 486 O ASP A 29 7.200 -12.412 0.805 1.00 0.00 O ATOM 487 CB ASP A 29 6.226 -14.937 1.659 1.00 0.00 C ATOM 488 CG ASP A 29 5.343 -15.110 0.431 1.00 0.00 C ATOM 489 OD1 ASP A 29 5.849 -14.992 -0.661 1.00 0.00 O ATOM 490 OD2 ASP A 29 4.216 -15.511 0.587 1.00 0.00 O ATOM 0 H ASP A 29 8.064 -14.084 3.320 1.00 0.00 H new ATOM 0 HA ASP A 29 8.055 -15.539 0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.138 -15.827 2.283 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.851 -14.098 2.245 1.00 0.00 H new ATOM 496 N LEU A 30 8.826 -13.445 -0.381 1.00 0.00 N ATOM 497 CA LEU A 30 9.051 -12.317 -1.267 1.00 0.00 C ATOM 498 C LEU A 30 7.996 -12.326 -2.378 1.00 0.00 C ATOM 499 O LEU A 30 7.645 -11.279 -2.914 1.00 0.00 O ATOM 500 CB LEU A 30 10.490 -12.321 -1.788 1.00 0.00 C ATOM 501 CG LEU A 30 11.555 -11.813 -0.813 1.00 0.00 C ATOM 502 CD1 LEU A 30 11.089 -10.540 -0.106 1.00 0.00 C ATOM 503 CD2 LEU A 30 11.956 -12.906 0.179 1.00 0.00 C ATOM 0 H LEU A 30 9.436 -14.246 -0.546 1.00 0.00 H new ATOM 0 HA LEU A 30 8.936 -11.379 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.748 -13.339 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.531 -11.711 -2.691 1.00 0.00 H new ATOM 0 HG LEU A 30 12.446 -11.555 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.864 -10.201 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.894 -9.763 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.176 -10.747 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.714 -12.519 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.081 -13.219 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.359 -13.760 -0.364 1.00 0.00 H new ATOM 515 N THR A 31 7.521 -13.526 -2.686 1.00 0.00 N ATOM 516 CA THR A 31 6.682 -13.718 -3.858 1.00 0.00 C ATOM 517 C THR A 31 5.343 -13.002 -3.676 1.00 0.00 C ATOM 518 O THR A 31 4.840 -12.376 -4.609 1.00 0.00 O ATOM 519 CB THR A 31 6.431 -15.211 -4.137 1.00 0.00 C ATOM 520 OG1 THR A 31 7.680 -15.871 -4.383 1.00 0.00 O ATOM 521 CG2 THR A 31 5.526 -15.382 -5.347 1.00 0.00 C ATOM 0 H THR A 31 7.701 -14.372 -2.146 1.00 0.00 H new ATOM 0 HA THR A 31 7.212 -13.294 -4.711 1.00 0.00 H new ATOM 0 HB THR A 31 5.945 -15.651 -3.266 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.519 -16.822 -4.559 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.359 -16.444 -5.530 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.571 -14.892 -5.159 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.998 -14.933 -6.221 1.00 0.00 H new ATOM 529 N ILE A 32 4.804 -13.118 -2.473 1.00 0.00 N ATOM 530 CA ILE A 32 3.478 -12.590 -2.192 1.00 0.00 C ATOM 531 C ILE A 32 3.559 -11.634 -1.001 1.00 0.00 C ATOM 532 O ILE A 32 4.084 -11.990 0.052 1.00 0.00 O ATOM 533 CB ILE A 32 2.464 -13.709 -1.893 1.00 0.00 C ATOM 534 CG1 ILE A 32 2.263 -14.592 -3.126 1.00 0.00 C ATOM 535 CG2 ILE A 32 1.140 -13.119 -1.434 1.00 0.00 C ATOM 536 CD1 ILE A 32 1.650 -13.866 -4.303 1.00 0.00 C ATOM 0 H ILE A 32 5.260 -13.570 -1.680 1.00 0.00 H new ATOM 0 HA ILE A 32 3.130 -12.061 -3.079 1.00 0.00 H new ATOM 0 HB ILE A 32 2.860 -14.329 -1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.226 -15.005 -3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.625 -15.434 -2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.435 -13.924 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.297 -12.533 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.737 -12.476 -2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.539 -14.557 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.672 -13.477 -4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.297 -13.040 -4.599 1.00 0.00 H new ATOM 548 N PRO A 33 3.015 -10.405 -1.212 1.00 0.00 N ATOM 549 CA PRO A 33 3.005 -9.400 -0.164 1.00 0.00 C ATOM 550 C PRO A 33 2.023 -9.777 0.947 1.00 0.00 C ATOM 551 O PRO A 33 1.112 -10.574 0.731 1.00 0.00 O ATOM 552 CB PRO A 33 2.598 -8.112 -0.886 1.00 0.00 C ATOM 553 CG PRO A 33 1.790 -8.578 -2.048 1.00 0.00 C ATOM 554 CD PRO A 33 2.419 -9.877 -2.477 1.00 0.00 C ATOM 0 HA PRO A 33 3.968 -9.296 0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.018 -7.458 -0.235 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.471 -7.546 -1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.746 -8.720 -1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.807 -7.847 -2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.681 -10.564 -2.891 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.177 -9.723 -3.245 1.00 0.00 H new ATOM 562 N VAL A 34 2.241 -9.185 2.113 1.00 0.00 N ATOM 563 CA VAL A 34 1.584 -9.650 3.322 1.00 0.00 C ATOM 564 C VAL A 34 0.610 -8.577 3.813 1.00 0.00 C ATOM 565 O VAL A 34 -0.433 -8.893 4.381 1.00 0.00 O ATOM 566 CB VAL A 34 2.597 -9.982 4.433 1.00 0.00 C ATOM 567 CG1 VAL A 34 3.573 -11.050 3.963 1.00 0.00 C ATOM 568 CG2 VAL A 34 3.346 -8.729 4.864 1.00 0.00 C ATOM 0 H VAL A 34 2.863 -8.388 2.245 1.00 0.00 H new ATOM 0 HA VAL A 34 1.045 -10.567 3.083 1.00 0.00 H new ATOM 0 HB VAL A 34 2.050 -10.369 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.281 -11.272 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.024 -11.955 3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.114 -10.689 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.058 -8.983 5.650 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.881 -8.313 4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.636 -7.993 5.241 1.00 0.00 H new ATOM 578 N LYS A 35 0.988 -7.327 3.578 1.00 0.00 N ATOM 579 CA LYS A 35 0.157 -6.205 3.983 1.00 0.00 C ATOM 580 C LYS A 35 0.379 -5.041 3.018 1.00 0.00 C ATOM 581 O LYS A 35 1.483 -4.846 2.515 1.00 0.00 O ATOM 582 CB LYS A 35 0.468 -5.785 5.420 1.00 0.00 C ATOM 583 CG LYS A 35 -0.146 -6.683 6.486 1.00 0.00 C ATOM 584 CD LYS A 35 -0.065 -6.043 7.863 1.00 0.00 C ATOM 585 CE LYS A 35 -1.207 -5.062 8.086 1.00 0.00 C ATOM 586 NZ LYS A 35 -1.245 -4.563 9.488 1.00 0.00 N ATOM 0 H LYS A 35 1.858 -7.068 3.113 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.890 -6.506 3.949 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.550 -5.769 5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.113 -4.766 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.188 -6.885 6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.371 -7.642 6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.094 -6.818 8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.888 -5.525 7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.100 -4.219 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.154 -5.547 7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.037 -3.898 9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.373 -5.364 10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.352 -4.078 9.708 1.00 0.00 H new ATOM 600 N ARG A 36 -0.692 -4.293 2.790 1.00 0.00 N ATOM 601 CA ARG A 36 -0.606 -3.097 1.967 1.00 0.00 C ATOM 602 C ARG A 36 -1.296 -1.923 2.665 1.00 0.00 C ATOM 603 O ARG A 36 -1.963 -2.106 3.683 1.00 0.00 O ATOM 604 CB ARG A 36 -1.256 -3.322 0.600 1.00 0.00 C ATOM 605 CG ARG A 36 -0.636 -4.528 -0.110 1.00 0.00 C ATOM 606 CD ARG A 36 -1.366 -5.819 0.265 1.00 0.00 C ATOM 607 NE ARG A 36 -2.666 -5.887 -0.440 1.00 0.00 N ATOM 608 CZ ARG A 36 -3.509 -6.940 -0.373 1.00 0.00 C ATOM 609 NH1 ARG A 36 -4.645 -6.895 -1.042 1.00 0.00 N ATOM 610 NH2 ARG A 36 -3.194 -8.023 0.369 1.00 0.00 N ATOM 0 H ARG A 36 -1.622 -4.491 3.160 1.00 0.00 H new ATOM 0 HA ARG A 36 0.450 -2.869 1.822 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.327 -3.480 0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.134 -2.431 -0.016 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.680 -4.381 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.417 -4.610 0.158 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.754 -6.682 0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.525 -5.857 1.343 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.942 -5.089 -1.012 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.876 -6.073 -1.600 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.292 -7.682 -1.002 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.314 -8.050 0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.836 -8.814 0.415 1.00 0.00 H new ATOM 624 N GLY A 37 -1.113 -0.744 2.091 1.00 0.00 N ATOM 625 CA GLY A 37 -1.698 0.462 2.652 1.00 0.00 C ATOM 626 C GLY A 37 -1.333 1.690 1.817 1.00 0.00 C ATOM 627 O GLY A 37 -0.795 1.561 0.717 1.00 0.00 O ATOM 0 H GLY A 37 -0.567 -0.598 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.782 0.358 2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.349 0.597 3.676 1.00 0.00 H new ATOM 631 N CYS A 38 -1.637 2.854 2.372 1.00 0.00 N ATOM 632 CA CYS A 38 -1.394 4.103 1.667 1.00 0.00 C ATOM 633 C CYS A 38 -0.185 4.789 2.309 1.00 0.00 C ATOM 634 O CYS A 38 0.078 4.607 3.496 1.00 0.00 O ATOM 635 CB CYS A 38 -2.676 4.901 1.909 1.00 0.00 C ATOM 636 SG CYS A 38 -4.182 4.098 1.306 1.00 0.00 S ATOM 0 H CYS A 38 -2.048 2.960 3.299 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.178 3.992 0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.779 5.083 2.979 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.580 5.874 1.428 1.00 0.00 H new ATOM 642 N ILE A 39 0.519 5.561 1.493 1.00 0.00 N ATOM 643 CA ILE A 39 1.533 6.463 2.008 1.00 0.00 C ATOM 644 C ILE A 39 1.814 7.551 0.968 1.00 0.00 C ATOM 645 O ILE A 39 1.493 7.391 -0.208 1.00 0.00 O ATOM 646 CB ILE A 39 2.838 5.723 2.354 1.00 0.00 C ATOM 647 CG1 ILE A 39 3.735 6.602 3.228 1.00 0.00 C ATOM 648 CG2 ILE A 39 3.568 5.308 1.085 1.00 0.00 C ATOM 649 CD1 ILE A 39 4.774 5.830 4.008 1.00 0.00 C ATOM 0 H ILE A 39 0.406 5.580 0.479 1.00 0.00 H new ATOM 0 HA ILE A 39 1.155 6.908 2.928 1.00 0.00 H new ATOM 0 HB ILE A 39 2.587 4.823 2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.238 7.333 2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.111 7.160 3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.488 4.786 1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.931 4.646 0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.809 6.194 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.370 6.522 4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.279 5.118 4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.423 5.293 3.317 1.00 0.00 H new ATOM 661 N ASP A 40 2.413 8.635 1.440 1.00 0.00 N ATOM 662 CA ASP A 40 2.755 9.743 0.566 1.00 0.00 C ATOM 663 C ASP A 40 4.151 9.515 -0.019 1.00 0.00 C ATOM 664 O ASP A 40 4.358 9.668 -1.221 1.00 0.00 O ATOM 665 CB ASP A 40 2.693 11.073 1.320 1.00 0.00 C ATOM 666 CG ASP A 40 3.498 11.101 2.613 1.00 0.00 C ATOM 667 OD1 ASP A 40 3.912 10.056 3.054 1.00 0.00 O ATOM 668 OD2 ASP A 40 3.826 12.173 3.062 1.00 0.00 O ATOM 0 H ASP A 40 2.670 8.769 2.418 1.00 0.00 H new ATOM 0 HA ASP A 40 2.030 9.792 -0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.054 11.866 0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.652 11.298 1.550 1.00 0.00 H new ATOM 674 N VAL A 41 5.073 9.150 0.861 1.00 0.00 N ATOM 675 CA VAL A 41 6.453 8.947 0.459 1.00 0.00 C ATOM 676 C VAL A 41 6.806 7.464 0.594 1.00 0.00 C ATOM 677 O VAL A 41 6.590 6.865 1.645 1.00 0.00 O ATOM 678 CB VAL A 41 7.427 9.793 1.300 1.00 0.00 C ATOM 679 CG1 VAL A 41 8.863 9.548 0.859 1.00 0.00 C ATOM 680 CG2 VAL A 41 7.082 11.270 1.189 1.00 0.00 C ATOM 0 H VAL A 41 4.890 8.990 1.852 1.00 0.00 H new ATOM 0 HA VAL A 41 6.553 9.266 -0.579 1.00 0.00 H new ATOM 0 HB VAL A 41 7.330 9.493 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.538 10.154 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.108 8.494 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.973 9.821 -0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.780 11.853 1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.151 11.582 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.067 11.435 1.551 1.00 0.00 H new ATOM 690 N CYS A 42 7.345 6.916 -0.486 1.00 0.00 N ATOM 691 CA CYS A 42 7.583 5.484 -0.558 1.00 0.00 C ATOM 692 C CYS A 42 8.722 5.138 0.405 1.00 0.00 C ATOM 693 O CYS A 42 9.826 5.666 0.281 1.00 0.00 O ATOM 694 CB CYS A 42 7.886 5.031 -1.985 1.00 0.00 C ATOM 695 SG CYS A 42 8.036 3.219 -2.203 1.00 0.00 S ATOM 0 H CYS A 42 7.623 7.437 -1.317 1.00 0.00 H new ATOM 0 HA CYS A 42 6.681 4.948 -0.262 1.00 0.00 H new ATOM 0 HB2 CYS A 42 7.097 5.397 -2.642 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.815 5.500 -2.310 1.00 0.00 H new ATOM 701 N PRO A 43 8.406 4.230 1.368 1.00 0.00 N ATOM 702 CA PRO A 43 9.386 3.817 2.357 1.00 0.00 C ATOM 703 C PRO A 43 10.481 2.959 1.719 1.00 0.00 C ATOM 704 O PRO A 43 10.197 2.103 0.883 1.00 0.00 O ATOM 705 CB PRO A 43 8.565 3.038 3.390 1.00 0.00 C ATOM 706 CG PRO A 43 7.379 2.550 2.630 1.00 0.00 C ATOM 707 CD PRO A 43 7.085 3.624 1.617 1.00 0.00 C ATOM 0 HA PRO A 43 9.915 4.656 2.810 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.137 2.210 3.809 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.268 3.675 4.224 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.589 1.597 2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.527 2.389 3.291 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.655 3.209 0.705 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.374 4.355 2.001 1.00 0.00 H new ATOM 715 N LYS A 44 11.710 3.220 2.138 1.00 0.00 N ATOM 716 CA LYS A 44 12.848 2.466 1.637 1.00 0.00 C ATOM 717 C LYS A 44 12.791 1.040 2.189 1.00 0.00 C ATOM 718 O LYS A 44 12.136 0.787 3.200 1.00 0.00 O ATOM 719 CB LYS A 44 14.163 3.144 2.023 1.00 0.00 C ATOM 720 CG LYS A 44 14.389 4.499 1.365 1.00 0.00 C ATOM 721 CD LYS A 44 15.709 5.116 1.805 1.00 0.00 C ATOM 722 CE LYS A 44 15.964 6.440 1.102 1.00 0.00 C ATOM 723 NZ LYS A 44 17.250 7.058 1.527 1.00 0.00 N ATOM 0 H LYS A 44 11.944 3.943 2.819 1.00 0.00 H new ATOM 0 HA LYS A 44 12.802 2.432 0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.188 3.271 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.989 2.484 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.382 4.385 0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.569 5.170 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.698 5.271 2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.525 4.425 1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.977 6.281 0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.144 7.127 1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.385 7.958 1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.229 7.233 2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.035 6.415 1.302 1.00 0.00 H new ATOM 737 N ASN A 45 13.483 0.144 1.500 1.00 0.00 N ATOM 738 CA ASN A 45 13.422 -1.269 1.834 1.00 0.00 C ATOM 739 C ASN A 45 14.176 -1.511 3.142 1.00 0.00 C ATOM 740 O ASN A 45 15.213 -0.896 3.389 1.00 0.00 O ATOM 741 CB ASN A 45 13.978 -2.136 0.720 1.00 0.00 C ATOM 742 CG ASN A 45 13.139 -2.130 -0.528 1.00 0.00 C ATOM 743 OD1 ASN A 45 11.928 -1.881 -0.485 1.00 0.00 O ATOM 744 ND2 ASN A 45 13.757 -2.481 -1.626 1.00 0.00 N ATOM 0 H ASN A 45 14.089 0.370 0.711 1.00 0.00 H new ATOM 0 HA ASN A 45 12.376 -1.550 1.960 1.00 0.00 H new ATOM 0 HB2 ASN A 45 14.983 -1.794 0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.070 -3.161 1.081 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.238 -2.560 -2.500 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.758 -2.676 -1.608 1.00 0.00 H new ATOM 751 N SER A 46 13.628 -2.411 3.945 1.00 0.00 N ATOM 752 CA SER A 46 14.270 -2.790 5.195 1.00 0.00 C ATOM 753 C SER A 46 14.843 -4.204 5.081 1.00 0.00 C ATOM 754 O SER A 46 14.639 -4.881 4.075 1.00 0.00 O ATOM 755 CB SER A 46 13.283 -2.699 6.343 1.00 0.00 C ATOM 756 OG SER A 46 12.259 -3.650 6.233 1.00 0.00 O ATOM 0 H SER A 46 12.747 -2.889 3.756 1.00 0.00 H new ATOM 0 HA SER A 46 15.090 -2.100 5.397 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.810 -2.842 7.286 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.848 -1.700 6.369 1.00 0.00 H new ATOM 0 HG SER A 46 12.239 -4.005 5.320 1.00 0.00 H new ATOM 762 N LEU A 47 15.546 -4.606 6.129 1.00 0.00 N ATOM 763 CA LEU A 47 16.193 -5.907 6.140 1.00 0.00 C ATOM 764 C LEU A 47 15.136 -6.995 6.348 1.00 0.00 C ATOM 765 O LEU A 47 15.319 -8.135 5.923 1.00 0.00 O ATOM 766 CB LEU A 47 17.266 -5.966 7.235 1.00 0.00 C ATOM 767 CG LEU A 47 18.446 -5.005 7.046 1.00 0.00 C ATOM 768 CD1 LEU A 47 19.364 -5.061 8.259 1.00 0.00 C ATOM 769 CD2 LEU A 47 19.203 -5.372 5.778 1.00 0.00 C ATOM 0 H LEU A 47 15.682 -4.054 6.976 1.00 0.00 H new ATOM 0 HA LEU A 47 16.689 -6.073 5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 47 16.795 -5.753 8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 47 17.652 -6.984 7.288 1.00 0.00 H new ATOM 0 HG LEU A 47 18.073 -3.986 6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 47 20.199 -4.375 8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 47 18.807 -4.773 9.150 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.744 -6.075 8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 47 20.042 -4.689 5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 47 19.576 -6.393 5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.534 -5.298 4.921 1.00 0.00 H new ATOM 781 N LEU A 48 14.053 -6.605 7.003 1.00 0.00 N ATOM 782 CA LEU A 48 13.038 -7.561 7.413 1.00 0.00 C ATOM 783 C LEU A 48 11.956 -7.640 6.337 1.00 0.00 C ATOM 784 O LEU A 48 11.605 -8.728 5.883 1.00 0.00 O ATOM 785 CB LEU A 48 12.438 -7.164 8.768 1.00 0.00 C ATOM 786 CG LEU A 48 13.430 -7.136 9.938 1.00 0.00 C ATOM 787 CD1 LEU A 48 12.735 -6.643 11.200 1.00 0.00 C ATOM 788 CD2 LEU A 48 14.008 -8.527 10.149 1.00 0.00 C ATOM 0 H LEU A 48 13.856 -5.638 7.261 1.00 0.00 H new ATOM 0 HA LEU A 48 13.494 -8.544 7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.986 -6.177 8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.635 -7.860 9.010 1.00 0.00 H new ATOM 0 HG LEU A 48 14.245 -6.450 9.707 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.447 -6.627 12.025 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.349 -5.637 11.034 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.910 -7.312 11.446 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.713 -8.506 10.980 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.202 -9.226 10.374 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.524 -8.848 9.244 1.00 0.00 H new ATOM 800 N VAL A 49 11.455 -6.473 5.958 1.00 0.00 N ATOM 801 CA VAL A 49 10.341 -6.402 5.030 1.00 0.00 C ATOM 802 C VAL A 49 10.723 -5.511 3.846 1.00 0.00 C ATOM 803 O VAL A 49 11.481 -4.554 4.004 1.00 0.00 O ATOM 804 CB VAL A 49 9.068 -5.854 5.702 1.00 0.00 C ATOM 805 CG1 VAL A 49 8.582 -6.811 6.781 1.00 0.00 C ATOM 806 CG2 VAL A 49 9.327 -4.476 6.292 1.00 0.00 C ATOM 0 H VAL A 49 11.801 -5.568 6.278 1.00 0.00 H new ATOM 0 HA VAL A 49 10.124 -7.414 4.687 1.00 0.00 H new ATOM 0 HB VAL A 49 8.290 -5.764 4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.682 -6.409 7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.358 -7.780 6.334 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.358 -6.931 7.537 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.417 -4.105 6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.120 -4.542 7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.631 -3.792 5.499 1.00 0.00 H new ATOM 816 N LYS A 50 10.183 -5.855 2.687 1.00 0.00 N ATOM 817 CA LYS A 50 10.450 -5.092 1.480 1.00 0.00 C ATOM 818 C LYS A 50 9.246 -4.202 1.166 1.00 0.00 C ATOM 819 O LYS A 50 8.105 -4.585 1.420 1.00 0.00 O ATOM 820 CB LYS A 50 10.757 -6.023 0.304 1.00 0.00 C ATOM 821 CG LYS A 50 11.049 -5.305 -1.007 1.00 0.00 C ATOM 822 CD LYS A 50 11.322 -6.293 -2.130 1.00 0.00 C ATOM 823 CE LYS A 50 11.608 -5.577 -3.441 1.00 0.00 C ATOM 824 NZ LYS A 50 11.802 -6.531 -4.567 1.00 0.00 N ATOM 0 H LYS A 50 9.561 -6.653 2.558 1.00 0.00 H new ATOM 0 HA LYS A 50 11.326 -4.464 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.614 -6.645 0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.910 -6.693 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.202 -4.673 -1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.910 -4.648 -0.880 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.171 -6.922 -1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.463 -6.952 -2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.783 -4.904 -3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.500 -4.961 -3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.994 -6.002 -5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.606 -7.157 -4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.942 -7.102 -4.690 1.00 0.00 H new ATOM 838 N TYR A 51 9.543 -3.033 0.620 1.00 0.00 N ATOM 839 CA TYR A 51 8.502 -2.067 0.308 1.00 0.00 C ATOM 840 C TYR A 51 8.433 -1.804 -1.197 1.00 0.00 C ATOM 841 O TYR A 51 9.432 -1.439 -1.815 1.00 0.00 O ATOM 842 CB TYR A 51 8.743 -0.759 1.064 1.00 0.00 C ATOM 843 CG TYR A 51 8.634 -0.891 2.567 1.00 0.00 C ATOM 844 CD1 TYR A 51 9.752 -1.165 3.341 1.00 0.00 C ATOM 845 CD2 TYR A 51 7.413 -0.738 3.207 1.00 0.00 C ATOM 846 CE1 TYR A 51 9.657 -1.287 4.715 1.00 0.00 C ATOM 847 CE2 TYR A 51 7.307 -0.858 4.580 1.00 0.00 C ATOM 848 CZ TYR A 51 8.432 -1.132 5.330 1.00 0.00 C ATOM 849 OH TYR A 51 8.332 -1.250 6.697 1.00 0.00 O ATOM 0 H TYR A 51 10.489 -2.732 0.385 1.00 0.00 H new ATOM 0 HA TYR A 51 7.547 -2.485 0.626 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.735 -0.383 0.813 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.024 -0.015 0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.713 -1.285 2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.531 -0.522 2.623 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.537 -1.502 5.303 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.349 -0.738 5.063 1.00 0.00 H new ATOM 0 HH TYR A 51 7.401 -1.112 6.970 1.00 0.00 H new ATOM 859 N VAL A 52 7.242 -2.001 -1.746 1.00 0.00 N ATOM 860 CA VAL A 52 6.984 -1.628 -3.127 1.00 0.00 C ATOM 861 C VAL A 52 5.770 -0.700 -3.182 1.00 0.00 C ATOM 862 O VAL A 52 4.727 -1.000 -2.603 1.00 0.00 O ATOM 863 CB VAL A 52 6.736 -2.861 -4.017 1.00 0.00 C ATOM 864 CG1 VAL A 52 6.484 -2.436 -5.456 1.00 0.00 C ATOM 865 CG2 VAL A 52 7.918 -3.816 -3.946 1.00 0.00 C ATOM 0 H VAL A 52 6.446 -2.414 -1.260 1.00 0.00 H new ATOM 0 HA VAL A 52 7.867 -1.117 -3.509 1.00 0.00 H new ATOM 0 HB VAL A 52 5.851 -3.379 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 52 6.311 -3.319 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.608 -1.788 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.352 -1.896 -5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.725 -4.681 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.818 -3.307 -4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.058 -4.145 -2.916 1.00 0.00 H new ATOM 875 N CYS A 53 5.946 0.412 -3.882 1.00 0.00 N ATOM 876 CA CYS A 53 4.890 1.405 -3.988 1.00 0.00 C ATOM 877 C CYS A 53 4.513 1.549 -5.463 1.00 0.00 C ATOM 878 O CYS A 53 5.277 1.158 -6.344 1.00 0.00 O ATOM 879 CB CYS A 53 5.308 2.741 -3.372 1.00 0.00 C ATOM 880 SG CYS A 53 6.162 2.612 -1.759 1.00 0.00 S ATOM 0 H CYS A 53 6.804 0.647 -4.381 1.00 0.00 H new ATOM 0 HA CYS A 53 4.018 1.076 -3.422 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.963 3.259 -4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.420 3.361 -3.248 1.00 0.00 H new ATOM 886 N CYS A 54 3.334 2.110 -5.687 1.00 0.00 N ATOM 887 CA CYS A 54 2.899 2.426 -7.038 1.00 0.00 C ATOM 888 C CYS A 54 1.847 3.535 -6.957 1.00 0.00 C ATOM 889 O CYS A 54 1.118 3.630 -5.972 1.00 0.00 O ATOM 890 CB CYS A 54 2.372 1.190 -7.766 1.00 0.00 C ATOM 891 SG CYS A 54 1.268 0.123 -6.768 1.00 0.00 S ATOM 0 H CYS A 54 2.666 2.354 -4.956 1.00 0.00 H new ATOM 0 HA CYS A 54 3.749 2.776 -7.624 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.834 1.513 -8.657 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.221 0.595 -8.104 1.00 0.00 H new ATOM 897 N ASN A 55 1.804 4.343 -8.006 1.00 0.00 N ATOM 898 CA ASN A 55 1.239 5.678 -7.899 1.00 0.00 C ATOM 899 C ASN A 55 -0.136 5.700 -8.569 1.00 0.00 C ATOM 900 O ASN A 55 -0.523 6.704 -9.164 1.00 0.00 O ATOM 901 CB ASN A 55 2.153 6.727 -8.504 1.00 0.00 C ATOM 902 CG ASN A 55 2.400 6.539 -9.975 1.00 0.00 C ATOM 903 OD1 ASN A 55 2.060 5.501 -10.554 1.00 0.00 O ATOM 904 ND2 ASN A 55 3.065 7.501 -10.563 1.00 0.00 N ATOM 0 H ASN A 55 2.151 4.099 -8.934 1.00 0.00 H new ATOM 0 HA ASN A 55 1.132 5.925 -6.843 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.718 7.713 -8.341 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.108 6.710 -7.979 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.327 7.414 -11.545 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.321 8.338 -10.039 1.00 0.00 H new ATOM 911 N THR A 56 -0.836 4.581 -8.452 1.00 0.00 N ATOM 912 CA THR A 56 -2.206 4.502 -8.924 1.00 0.00 C ATOM 913 C THR A 56 -3.082 3.776 -7.903 1.00 0.00 C ATOM 914 O THR A 56 -2.578 3.233 -6.921 1.00 0.00 O ATOM 915 CB THR A 56 -2.296 3.780 -10.282 1.00 0.00 C ATOM 916 OG1 THR A 56 -1.722 2.472 -10.169 1.00 0.00 O ATOM 917 CG2 THR A 56 -1.554 4.565 -11.353 1.00 0.00 C ATOM 0 H THR A 56 -0.478 3.721 -8.036 1.00 0.00 H new ATOM 0 HA THR A 56 -2.565 5.523 -9.052 1.00 0.00 H new ATOM 0 HB THR A 56 -3.345 3.700 -10.566 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.781 2.013 -11.033 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.628 4.040 -12.306 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.996 5.557 -11.449 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.505 4.661 -11.072 1.00 0.00 H new ATOM 925 N ASP A 57 -4.382 3.789 -8.168 1.00 0.00 N ATOM 926 CA ASP A 57 -5.346 3.278 -7.210 1.00 0.00 C ATOM 927 C ASP A 57 -5.316 1.749 -7.228 1.00 0.00 C ATOM 928 O ASP A 57 -5.280 1.138 -8.296 1.00 0.00 O ATOM 929 CB ASP A 57 -6.751 3.797 -7.520 1.00 0.00 C ATOM 930 CG ASP A 57 -6.978 5.259 -7.158 1.00 0.00 C ATOM 931 OD1 ASP A 57 -6.705 5.622 -6.038 1.00 0.00 O ATOM 932 OD2 ASP A 57 -7.270 6.030 -8.039 1.00 0.00 O ATOM 0 H ASP A 57 -4.788 4.146 -9.033 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.078 3.630 -6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.947 3.665 -8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.477 3.186 -6.984 1.00 0.00 H new ATOM 938 N ARG A 58 -5.333 1.174 -6.035 1.00 0.00 N ATOM 939 CA ARG A 58 -5.490 -0.265 -5.899 1.00 0.00 C ATOM 940 C ARG A 58 -4.474 -0.996 -6.778 1.00 0.00 C ATOM 941 O ARG A 58 -4.756 -2.079 -7.289 1.00 0.00 O ATOM 942 CB ARG A 58 -6.915 -0.718 -6.185 1.00 0.00 C ATOM 943 CG ARG A 58 -7.968 -0.142 -5.249 1.00 0.00 C ATOM 944 CD ARG A 58 -9.345 -0.142 -5.805 1.00 0.00 C ATOM 945 NE ARG A 58 -9.581 0.863 -6.830 1.00 0.00 N ATOM 946 CZ ARG A 58 -10.686 0.927 -7.599 1.00 0.00 C ATOM 947 NH1 ARG A 58 -11.640 0.028 -7.489 1.00 0.00 N ATOM 948 NH2 ARG A 58 -10.776 1.906 -8.482 1.00 0.00 N ATOM 0 H ARG A 58 -5.241 1.678 -5.153 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.291 -0.525 -4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.170 -0.444 -7.209 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.954 -1.806 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.964 -0.713 -4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.691 0.881 -4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.554 -1.126 -6.224 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.052 0.015 -4.991 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.859 1.569 -6.977 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.550 -0.732 -6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.470 0.091 -8.078 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.021 2.587 -8.567 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.600 1.981 -9.078 1.00 0.00 H new ATOM 962 N CYS A 59 -3.315 -0.375 -6.928 1.00 0.00 N ATOM 963 CA CYS A 59 -2.296 -0.898 -7.821 1.00 0.00 C ATOM 964 C CYS A 59 -1.489 -1.955 -7.063 1.00 0.00 C ATOM 965 O CYS A 59 -0.904 -2.849 -7.671 1.00 0.00 O ATOM 966 CB CYS A 59 -1.441 0.330 -8.138 1.00 0.00 C ATOM 967 SG CYS A 59 -0.546 1.007 -6.720 1.00 0.00 S ATOM 0 H CYS A 59 -3.058 0.486 -6.446 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.681 -1.371 -8.725 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.722 0.066 -8.913 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.084 1.108 -8.551 1.00 0.00 H new ATOM 973 N ASN A 60 -1.486 -1.817 -5.745 1.00 0.00 N ATOM 974 CA ASN A 60 -0.765 -2.752 -4.897 1.00 0.00 C ATOM 975 C ASN A 60 -1.693 -3.907 -4.516 1.00 0.00 C ATOM 976 O ASN A 60 -1.549 -5.018 -5.023 1.00 0.00 O ATOM 977 CB ASN A 60 -0.297 -2.076 -3.607 1.00 0.00 C ATOM 978 CG ASN A 60 -1.487 -1.570 -2.789 1.00 0.00 C ATOM 979 OD1 ASN A 60 -2.640 -1.805 -3.112 1.00 0.00 O ATOM 980 ND2 ASN A 60 -1.146 -0.863 -1.716 1.00 0.00 N ATOM 981 OXT ASN A 60 -2.571 -3.732 -3.716 1.00 0.00 O ATOM 0 H ASN A 60 -1.971 -1.073 -5.244 1.00 0.00 H new ATOM 0 HA ASN A 60 0.102 -3.111 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.283 -2.782 -3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.364 -1.243 -3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.869 -0.481 -1.106 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.162 -0.703 -1.502 1.00 0.00 H new TER 988 ASN A 60