USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 475 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 THR OG1 : rot -110:sc= 0.73 USER MOD Set 1.2: A 46 LYS NZ :NH3+ -169:sc= 0.834 (180deg=0) USER MOD Single : A 1 THR N :NH3+ -163:sc= -0.117 (180deg=-0.836) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc=-0.00111 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc=-0.00775 K(o=-0.0077,f=-0.99) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.678 K(o=0.68,f=-5.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 0.844 (180deg=0.843) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= 0.85 (180deg=0.705) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0026 K(o=-0.0026,f=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0854 USER MOD Single : A 44 THR OG1 : rot 71:sc= 0.299 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 69:sc= 0.29 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -74:sc= 0.552 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -5.422 6.083 5.586 1.00 0.00 N ATOM 2 CA THR A 1 -4.809 5.716 4.315 1.00 0.00 C ATOM 3 C THR A 1 -5.552 6.345 3.144 1.00 0.00 C ATOM 4 O THR A 1 -4.990 6.519 2.062 1.00 0.00 O ATOM 5 CB THR A 1 -4.772 4.188 4.126 1.00 0.00 C ATOM 6 OG1 THR A 1 -6.110 3.670 4.139 1.00 0.00 O ATOM 7 CG2 THR A 1 -3.968 3.532 5.238 1.00 0.00 C ATOM 0 H1 THR A 1 -4.755 5.894 6.361 1.00 0.00 H new ATOM 0 H2 THR A 1 -5.663 7.095 5.576 1.00 0.00 H new ATOM 0 H3 THR A 1 -6.286 5.523 5.729 1.00 0.00 H new ATOM 0 HA THR A 1 -3.787 6.094 4.338 1.00 0.00 H new ATOM 0 HB THR A 1 -4.298 3.967 3.170 1.00 0.00 H new ATOM 0 HG1 THR A 1 -6.253 3.153 4.959 1.00 0.00 H new ATOM 0 HG21 THR A 1 -3.953 2.452 5.088 1.00 0.00 H new ATOM 0 HG22 THR A 1 -2.948 3.915 5.224 1.00 0.00 H new ATOM 0 HG23 THR A 1 -4.427 3.758 6.201 1.00 0.00 H new ATOM 17 N THR A 2 -6.817 6.684 3.364 1.00 0.00 N ATOM 18 CA THR A 2 -7.622 7.345 2.344 1.00 0.00 C ATOM 19 C THR A 2 -6.979 8.648 1.891 1.00 0.00 C ATOM 20 O THR A 2 -6.691 9.524 2.707 1.00 0.00 O ATOM 21 CB THR A 2 -9.047 7.635 2.851 1.00 0.00 C ATOM 22 OG1 THR A 2 -9.669 6.413 3.266 1.00 0.00 O ATOM 23 CG2 THR A 2 -9.883 8.277 1.752 1.00 0.00 C ATOM 0 H THR A 2 -7.308 6.512 4.241 1.00 0.00 H new ATOM 0 HA THR A 2 -7.679 6.661 1.497 1.00 0.00 H new ATOM 0 HB THR A 2 -8.983 8.322 3.695 1.00 0.00 H new ATOM 0 HG1 THR A 2 -10.575 6.600 3.590 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.887 8.475 2.127 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.420 9.214 1.443 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.942 7.602 0.898 1.00 0.00 H new ATOM 31 N TYR A 3 -6.754 8.771 0.587 1.00 0.00 N ATOM 32 CA TYR A 3 -5.985 9.883 0.044 1.00 0.00 C ATOM 33 C TYR A 3 -6.693 11.211 0.279 1.00 0.00 C ATOM 34 O TYR A 3 -6.061 12.266 0.308 1.00 0.00 O ATOM 35 CB TYR A 3 -5.733 9.679 -1.451 1.00 0.00 C ATOM 36 CG TYR A 3 -6.955 9.901 -2.315 1.00 0.00 C ATOM 37 CD1 TYR A 3 -7.853 8.871 -2.553 1.00 0.00 C ATOM 38 CD2 TYR A 3 -7.208 11.139 -2.890 1.00 0.00 C ATOM 39 CE1 TYR A 3 -8.972 9.067 -3.340 1.00 0.00 C ATOM 40 CE2 TYR A 3 -8.322 11.345 -3.678 1.00 0.00 C ATOM 41 CZ TYR A 3 -9.203 10.307 -3.901 1.00 0.00 C ATOM 42 OH TYR A 3 -10.314 10.507 -4.686 1.00 0.00 O ATOM 0 H TYR A 3 -7.094 8.113 -0.114 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.028 9.912 0.565 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -4.944 10.359 -1.773 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.365 8.666 -1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -7.675 7.900 -2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.521 11.955 -2.718 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -9.662 8.255 -3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.503 12.314 -4.118 1.00 0.00 H new ATOM 0 HH TYR A 3 -10.329 11.435 -5.002 1.00 0.00 H new ATOM 52 N LYS A 4 -8.009 11.151 0.446 1.00 0.00 N ATOM 53 CA LYS A 4 -8.799 12.340 0.749 1.00 0.00 C ATOM 54 C LYS A 4 -8.530 12.833 2.165 1.00 0.00 C ATOM 55 O LYS A 4 -8.750 14.004 2.476 1.00 0.00 O ATOM 56 CB LYS A 4 -10.289 12.054 0.564 1.00 0.00 C ATOM 57 CG LYS A 4 -10.709 11.802 -0.877 1.00 0.00 C ATOM 58 CD LYS A 4 -12.201 11.522 -0.979 1.00 0.00 C ATOM 59 CE LYS A 4 -12.625 11.288 -2.420 1.00 0.00 C ATOM 60 NZ LYS A 4 -14.085 11.022 -2.537 1.00 0.00 N ATOM 0 H LYS A 4 -8.553 10.291 0.377 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.502 13.125 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.556 11.185 1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.859 12.898 0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.457 12.669 -1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.150 10.956 -1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.450 10.647 -0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.759 12.362 -0.566 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.367 12.161 -3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.069 10.444 -2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.331 10.868 -3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.329 10.174 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.617 11.837 -2.171 1.00 0.00 H new ATOM 74 N LEU A 5 -8.053 11.934 3.018 1.00 0.00 N ATOM 75 CA LEU A 5 -7.873 12.242 4.433 1.00 0.00 C ATOM 76 C LEU A 5 -6.405 12.483 4.762 1.00 0.00 C ATOM 77 O LEU A 5 -6.081 13.240 5.677 1.00 0.00 O ATOM 78 CB LEU A 5 -8.433 11.106 5.297 1.00 0.00 C ATOM 79 CG LEU A 5 -9.922 10.800 5.091 1.00 0.00 C ATOM 80 CD1 LEU A 5 -10.338 9.617 5.953 1.00 0.00 C ATOM 81 CD2 LEU A 5 -10.746 12.033 5.432 1.00 0.00 C ATOM 0 H LEU A 5 -7.784 10.986 2.755 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.421 13.158 4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.861 10.201 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.272 11.356 6.346 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.098 10.538 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.397 9.409 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.752 8.741 5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.164 9.853 7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.804 11.815 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.573 12.310 6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.452 12.858 4.783 1.00 0.00 H new ATOM 93 N ILE A 6 -5.522 11.837 4.009 1.00 0.00 N ATOM 94 CA ILE A 6 -4.088 11.929 4.261 1.00 0.00 C ATOM 95 C ILE A 6 -3.496 13.177 3.619 1.00 0.00 C ATOM 96 O ILE A 6 -3.679 13.421 2.426 1.00 0.00 O ATOM 97 CB ILE A 6 -3.342 10.689 3.736 1.00 0.00 C ATOM 98 CG1 ILE A 6 -3.859 9.424 4.423 1.00 0.00 C ATOM 99 CG2 ILE A 6 -1.843 10.840 3.951 1.00 0.00 C ATOM 100 CD1 ILE A 6 -3.646 9.410 5.919 1.00 0.00 C ATOM 0 H ILE A 6 -5.774 11.244 3.219 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.961 11.986 5.342 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.529 10.600 2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.924 9.319 4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.363 8.557 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.330 9.955 3.574 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.486 11.721 3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.638 10.953 5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.039 8.482 6.334 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.580 9.482 6.135 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.165 10.256 6.368 1.00 0.00 H new ATOM 112 N LEU A 7 -2.784 13.966 4.417 1.00 0.00 N ATOM 113 CA LEU A 7 -2.182 15.203 3.935 1.00 0.00 C ATOM 114 C LEU A 7 -0.850 14.936 3.248 1.00 0.00 C ATOM 115 O LEU A 7 -0.655 15.295 2.086 1.00 0.00 O ATOM 116 CB LEU A 7 -1.997 16.189 5.095 1.00 0.00 C ATOM 117 CG LEU A 7 -1.365 17.533 4.712 1.00 0.00 C ATOM 118 CD1 LEU A 7 -2.255 18.265 3.718 1.00 0.00 C ATOM 119 CD2 LEU A 7 -1.153 18.370 5.965 1.00 0.00 C ATOM 0 H LEU A 7 -2.610 13.770 5.403 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.856 15.644 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.970 16.379 5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.376 15.717 5.857 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.399 17.359 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.797 19.218 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.375 17.658 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.232 18.444 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.704 19.325 5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.112 18.546 6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.491 17.840 6.649 1.00 0.00 H new ATOM 131 N ASN A 8 0.067 14.304 3.972 1.00 0.00 N ATOM 132 CA ASN A 8 1.446 14.171 3.516 1.00 0.00 C ATOM 133 C ASN A 8 1.676 12.821 2.846 1.00 0.00 C ATOM 134 O ASN A 8 1.047 11.826 3.201 1.00 0.00 O ATOM 135 CB ASN A 8 2.429 14.364 4.655 1.00 0.00 C ATOM 136 CG ASN A 8 2.484 15.774 5.175 1.00 0.00 C ATOM 137 OD1 ASN A 8 2.226 16.737 4.443 1.00 0.00 O ATOM 138 ND2 ASN A 8 2.896 15.905 6.409 1.00 0.00 N ATOM 0 H ASN A 8 -0.120 13.875 4.878 1.00 0.00 H new ATOM 0 HA ASN A 8 1.619 14.957 2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.160 13.695 5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.424 14.072 4.318 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.018 16.835 6.810 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.095 15.077 6.971 1.00 0.00 H new ATOM 145 N LEU A 9 2.583 12.796 1.874 1.00 0.00 N ATOM 146 CA LEU A 9 2.948 11.558 1.198 1.00 0.00 C ATOM 147 C LEU A 9 3.478 10.527 2.186 1.00 0.00 C ATOM 148 O LEU A 9 3.080 9.363 2.158 1.00 0.00 O ATOM 149 CB LEU A 9 3.987 11.836 0.106 1.00 0.00 C ATOM 150 CG LEU A 9 4.527 10.592 -0.614 1.00 0.00 C ATOM 151 CD1 LEU A 9 3.386 9.850 -1.297 1.00 0.00 C ATOM 152 CD2 LEU A 9 5.581 11.009 -1.628 1.00 0.00 C ATOM 0 H LEU A 9 3.079 13.621 1.537 1.00 0.00 H new ATOM 0 HA LEU A 9 2.051 11.148 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.543 12.501 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.826 12.371 0.552 1.00 0.00 H new ATOM 0 HG LEU A 9 4.985 9.921 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.778 8.969 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.653 9.543 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.909 10.507 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.964 10.126 -2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.136 11.686 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.399 11.515 -1.115 1.00 0.00 H new ATOM 164 N LYS A 10 4.381 10.961 3.059 1.00 0.00 N ATOM 165 CA LYS A 10 4.955 10.081 4.071 1.00 0.00 C ATOM 166 C LYS A 10 3.867 9.379 4.872 1.00 0.00 C ATOM 167 O LYS A 10 3.965 8.185 5.156 1.00 0.00 O ATOM 168 CB LYS A 10 5.875 10.867 5.006 1.00 0.00 C ATOM 169 CG LYS A 10 6.555 10.024 6.074 1.00 0.00 C ATOM 170 CD LYS A 10 7.517 10.856 6.909 1.00 0.00 C ATOM 171 CE LYS A 10 8.179 10.021 7.994 1.00 0.00 C ATOM 172 NZ LYS A 10 9.133 10.820 8.808 1.00 0.00 N ATOM 0 H LYS A 10 4.732 11.918 3.086 1.00 0.00 H new ATOM 0 HA LYS A 10 5.542 9.320 3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.641 11.363 4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.294 11.650 5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.801 9.578 6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.096 9.204 5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.282 11.287 6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.979 11.687 7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.413 9.599 8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.706 9.184 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.562 10.213 9.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.879 11.202 8.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.626 11.604 9.266 1.00 0.00 H new ATOM 186 N GLN A 11 2.832 10.127 5.236 1.00 0.00 N ATOM 187 CA GLN A 11 1.730 9.581 6.021 1.00 0.00 C ATOM 188 C GLN A 11 1.045 8.435 5.288 1.00 0.00 C ATOM 189 O GLN A 11 0.695 7.421 5.890 1.00 0.00 O ATOM 190 CB GLN A 11 0.708 10.675 6.342 1.00 0.00 C ATOM 191 CG GLN A 11 1.196 11.709 7.341 1.00 0.00 C ATOM 192 CD GLN A 11 0.268 12.907 7.433 1.00 0.00 C ATOM 193 OE1 GLN A 11 -0.584 13.117 6.566 1.00 0.00 O ATOM 194 NE2 GLN A 11 0.432 13.701 8.485 1.00 0.00 N ATOM 0 H GLN A 11 2.732 11.114 5.000 1.00 0.00 H new ATOM 0 HA GLN A 11 2.146 9.195 6.951 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.432 11.182 5.417 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.197 10.208 6.732 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.286 11.246 8.324 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.192 12.046 7.054 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.150 13.488 9.178 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.160 14.524 8.600 1.00 0.00 H new ATOM 203 N ALA A 12 0.858 8.603 3.983 1.00 0.00 N ATOM 204 CA ALA A 12 0.204 7.588 3.166 1.00 0.00 C ATOM 205 C ALA A 12 1.088 6.358 3.004 1.00 0.00 C ATOM 206 O ALA A 12 0.672 5.239 3.299 1.00 0.00 O ATOM 207 CB ALA A 12 -0.169 8.162 1.807 1.00 0.00 C ATOM 0 H ALA A 12 1.151 9.434 3.468 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.708 7.279 3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.656 7.392 1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.850 9.003 1.941 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.732 8.503 1.296 1.00 0.00 H new ATOM 213 N LYS A 13 2.311 6.575 2.533 1.00 0.00 N ATOM 214 CA LYS A 13 3.198 5.475 2.173 1.00 0.00 C ATOM 215 C LYS A 13 3.611 4.675 3.402 1.00 0.00 C ATOM 216 O LYS A 13 3.975 3.504 3.300 1.00 0.00 O ATOM 217 CB LYS A 13 4.439 6.001 1.449 1.00 0.00 C ATOM 218 CG LYS A 13 5.444 6.703 2.352 1.00 0.00 C ATOM 219 CD LYS A 13 6.662 7.169 1.567 1.00 0.00 C ATOM 220 CE LYS A 13 7.739 7.719 2.490 1.00 0.00 C ATOM 221 NZ LYS A 13 8.950 8.147 1.740 1.00 0.00 N ATOM 0 H LYS A 13 2.711 7.503 2.392 1.00 0.00 H new ATOM 0 HA LYS A 13 2.650 4.813 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.936 5.167 0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.123 6.694 0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.969 7.559 2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.758 6.025 3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.065 6.337 0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.365 7.937 0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.340 8.566 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.015 6.958 3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.659 8.515 2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.346 7.334 1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.693 8.892 1.061 1.00 0.00 H new ATOM 235 N GLU A 14 3.552 5.316 4.565 1.00 0.00 N ATOM 236 CA GLU A 14 3.909 4.662 5.818 1.00 0.00 C ATOM 237 C GLU A 14 3.149 3.354 5.995 1.00 0.00 C ATOM 238 O GLU A 14 3.740 2.316 6.290 1.00 0.00 O ATOM 239 CB GLU A 14 3.638 5.591 7.004 1.00 0.00 C ATOM 240 CG GLU A 14 3.987 4.997 8.362 1.00 0.00 C ATOM 241 CD GLU A 14 3.751 5.988 9.468 1.00 0.00 C ATOM 242 OE1 GLU A 14 3.352 7.090 9.177 1.00 0.00 O ATOM 243 OE2 GLU A 14 3.862 5.610 10.610 1.00 0.00 O ATOM 0 H GLU A 14 3.260 6.288 4.665 1.00 0.00 H new ATOM 0 HA GLU A 14 4.974 4.434 5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.207 6.511 6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.583 5.865 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.386 4.104 8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.031 4.685 8.367 1.00 0.00 H new ATOM 250 N GLU A 15 1.834 3.410 5.810 1.00 0.00 N ATOM 251 CA GLU A 15 0.984 2.242 6.000 1.00 0.00 C ATOM 252 C GLU A 15 0.990 1.348 4.768 1.00 0.00 C ATOM 253 O GLU A 15 0.906 0.125 4.873 1.00 0.00 O ATOM 254 CB GLU A 15 -0.448 2.669 6.333 1.00 0.00 C ATOM 255 CG GLU A 15 -0.601 3.359 7.680 1.00 0.00 C ATOM 256 CD GLU A 15 -0.130 2.479 8.802 1.00 0.00 C ATOM 257 OE1 GLU A 15 -0.565 1.355 8.875 1.00 0.00 O ATOM 258 OE2 GLU A 15 0.753 2.890 9.522 1.00 0.00 O ATOM 0 H GLU A 15 1.334 4.253 5.528 1.00 0.00 H new ATOM 0 HA GLU A 15 1.387 1.671 6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.805 3.340 5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.090 1.789 6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.032 4.289 7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.646 3.625 7.838 1.00 0.00 H new ATOM 265 N ALA A 16 1.092 1.967 3.596 1.00 0.00 N ATOM 266 CA ALA A 16 1.108 1.229 2.338 1.00 0.00 C ATOM 267 C ALA A 16 2.331 0.326 2.246 1.00 0.00 C ATOM 268 O ALA A 16 2.255 -0.785 1.724 1.00 0.00 O ATOM 269 CB ALA A 16 1.063 2.190 1.159 1.00 0.00 C ATOM 0 H ALA A 16 1.165 2.979 3.491 1.00 0.00 H new ATOM 0 HA ALA A 16 0.221 0.596 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.076 1.624 0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.151 2.785 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.930 2.850 1.194 1.00 0.00 H new ATOM 275 N ILE A 17 3.458 0.812 2.755 1.00 0.00 N ATOM 276 CA ILE A 17 4.677 0.014 2.815 1.00 0.00 C ATOM 277 C ILE A 17 4.510 -1.179 3.746 1.00 0.00 C ATOM 278 O ILE A 17 4.979 -2.280 3.451 1.00 0.00 O ATOM 279 CB ILE A 17 5.879 0.855 3.282 1.00 0.00 C ATOM 280 CG1 ILE A 17 6.273 1.868 2.205 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.055 -0.045 3.626 1.00 0.00 C ATOM 282 CD1 ILE A 17 7.247 2.922 2.684 1.00 0.00 C ATOM 0 H ILE A 17 3.553 1.755 3.132 1.00 0.00 H new ATOM 0 HA ILE A 17 4.868 -0.345 1.804 1.00 0.00 H new ATOM 0 HB ILE A 17 5.591 1.402 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.714 1.335 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.373 2.360 1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.896 0.565 3.954 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.769 -0.728 4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.344 -0.618 2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.478 3.603 1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.802 3.482 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.164 2.442 3.026 1.00 0.00 H new ATOM 294 N LYS A 18 3.841 -0.956 4.872 1.00 0.00 N ATOM 295 CA LYS A 18 3.519 -2.035 5.797 1.00 0.00 C ATOM 296 C LYS A 18 2.647 -3.091 5.131 1.00 0.00 C ATOM 297 O LYS A 18 2.782 -4.284 5.405 1.00 0.00 O ATOM 298 CB LYS A 18 2.818 -1.482 7.041 1.00 0.00 C ATOM 299 CG LYS A 18 3.705 -0.624 7.933 1.00 0.00 C ATOM 300 CD LYS A 18 2.918 -0.039 9.096 1.00 0.00 C ATOM 301 CE LYS A 18 3.755 0.955 9.888 1.00 0.00 C ATOM 302 NZ LYS A 18 2.963 1.625 10.955 1.00 0.00 N ATOM 0 H LYS A 18 3.511 -0.037 5.166 1.00 0.00 H new ATOM 0 HA LYS A 18 4.455 -2.507 6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.959 -0.890 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.432 -2.316 7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.530 -1.225 8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.144 0.183 7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.023 0.456 8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.586 -0.842 9.753 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.603 0.438 10.337 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.161 1.707 9.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.566 2.306 11.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.158 2.126 10.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.611 0.912 11.625 1.00 0.00 H new ATOM 316 N GLU A 19 1.752 -2.646 4.256 1.00 0.00 N ATOM 317 CA GLU A 19 0.870 -3.554 3.533 1.00 0.00 C ATOM 318 C GLU A 19 1.630 -4.317 2.454 1.00 0.00 C ATOM 319 O GLU A 19 1.320 -5.472 2.162 1.00 0.00 O ATOM 320 CB GLU A 19 -0.297 -2.786 2.910 1.00 0.00 C ATOM 321 CG GLU A 19 -1.291 -2.226 3.918 1.00 0.00 C ATOM 322 CD GLU A 19 -1.887 -3.319 4.762 1.00 0.00 C ATOM 323 OE1 GLU A 19 -2.386 -4.267 4.206 1.00 0.00 O ATOM 324 OE2 GLU A 19 -1.743 -3.262 5.961 1.00 0.00 O ATOM 0 H GLU A 19 1.618 -1.660 4.030 1.00 0.00 H new ATOM 0 HA GLU A 19 0.476 -4.276 4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.101 -1.964 2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.827 -3.448 2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.792 -1.500 4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.085 -1.695 3.393 1.00 0.00 H new ATOM 331 N LEU A 20 2.624 -3.664 1.864 1.00 0.00 N ATOM 332 CA LEU A 20 3.496 -4.311 0.891 1.00 0.00 C ATOM 333 C LEU A 20 4.330 -5.408 1.542 1.00 0.00 C ATOM 334 O LEU A 20 4.601 -6.440 0.928 1.00 0.00 O ATOM 335 CB LEU A 20 4.406 -3.274 0.222 1.00 0.00 C ATOM 336 CG LEU A 20 3.704 -2.322 -0.755 1.00 0.00 C ATOM 337 CD1 LEU A 20 4.634 -1.175 -1.125 1.00 0.00 C ATOM 338 CD2 LEU A 20 3.277 -3.092 -1.997 1.00 0.00 C ATOM 0 H LEU A 20 2.847 -2.685 2.043 1.00 0.00 H new ATOM 0 HA LEU A 20 2.868 -4.774 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.887 -2.681 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.197 -3.800 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 20 2.817 -1.902 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.127 -0.505 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.909 -0.625 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.533 -1.573 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.778 -2.415 -2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.155 -3.523 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.591 -3.890 -1.712 1.00 0.00 H new ATOM 350 N VAL A 21 4.734 -5.177 2.786 1.00 0.00 N ATOM 351 CA VAL A 21 5.449 -6.185 3.559 1.00 0.00 C ATOM 352 C VAL A 21 4.549 -7.372 3.882 1.00 0.00 C ATOM 353 O VAL A 21 4.940 -8.526 3.704 1.00 0.00 O ATOM 354 CB VAL A 21 6.004 -5.603 4.872 1.00 0.00 C ATOM 355 CG1 VAL A 21 6.547 -6.713 5.759 1.00 0.00 C ATOM 356 CG2 VAL A 21 7.089 -4.576 4.583 1.00 0.00 C ATOM 0 H VAL A 21 4.578 -4.299 3.281 1.00 0.00 H new ATOM 0 HA VAL A 21 6.282 -6.521 2.941 1.00 0.00 H new ATOM 0 HB VAL A 21 5.190 -5.106 5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.935 -6.284 6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.747 -7.415 5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.348 -7.236 5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.470 -4.175 5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.903 -5.051 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.673 -3.765 3.985 1.00 0.00 H new ATOM 366 N ASP A 22 3.343 -7.081 4.357 1.00 0.00 N ATOM 367 CA ASP A 22 2.383 -8.125 4.699 1.00 0.00 C ATOM 368 C ASP A 22 1.995 -8.940 3.472 1.00 0.00 C ATOM 369 O ASP A 22 1.848 -10.159 3.546 1.00 0.00 O ATOM 370 CB ASP A 22 1.135 -7.515 5.342 1.00 0.00 C ATOM 371 CG ASP A 22 1.342 -7.013 6.766 1.00 0.00 C ATOM 372 OD1 ASP A 22 2.353 -7.332 7.345 1.00 0.00 O ATOM 373 OD2 ASP A 22 0.571 -6.193 7.202 1.00 0.00 O ATOM 0 H ASP A 22 3.007 -6.131 4.514 1.00 0.00 H new ATOM 0 HA ASP A 22 2.859 -8.794 5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.791 -6.686 4.724 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.341 -8.261 5.345 1.00 0.00 H new ATOM 378 N ALA A 23 1.828 -8.257 2.344 1.00 0.00 N ATOM 379 CA ALA A 23 1.515 -8.923 1.085 1.00 0.00 C ATOM 380 C ALA A 23 2.716 -9.700 0.561 1.00 0.00 C ATOM 381 O ALA A 23 2.564 -10.751 -0.062 1.00 0.00 O ATOM 382 CB ALA A 23 1.042 -7.911 0.053 1.00 0.00 C ATOM 0 H ALA A 23 1.904 -7.242 2.276 1.00 0.00 H new ATOM 0 HA ALA A 23 0.710 -9.635 1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.812 -8.424 -0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.147 -7.408 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.827 -7.175 -0.121 1.00 0.00 H new ATOM 388 N GLY A 24 3.910 -9.176 0.815 1.00 0.00 N ATOM 389 CA GLY A 24 5.140 -9.814 0.360 1.00 0.00 C ATOM 390 C GLY A 24 5.473 -9.411 -1.071 1.00 0.00 C ATOM 391 O GLY A 24 5.970 -10.220 -1.854 1.00 0.00 O ATOM 0 H GLY A 24 4.052 -8.310 1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.962 -9.536 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.035 -10.897 0.420 1.00 0.00 H new ATOM 395 N ILE A 25 5.199 -8.154 -1.405 1.00 0.00 N ATOM 396 CA ILE A 25 5.399 -7.662 -2.763 1.00 0.00 C ATOM 397 C ILE A 25 6.727 -6.929 -2.892 1.00 0.00 C ATOM 398 O ILE A 25 6.778 -5.700 -2.836 1.00 0.00 O ATOM 399 CB ILE A 25 4.259 -6.722 -3.196 1.00 0.00 C ATOM 400 CG1 ILE A 25 2.903 -7.416 -3.033 1.00 0.00 C ATOM 401 CG2 ILE A 25 4.459 -6.272 -4.635 1.00 0.00 C ATOM 402 CD1 ILE A 25 1.723 -6.476 -3.116 1.00 0.00 C ATOM 0 H ILE A 25 4.838 -7.457 -0.753 1.00 0.00 H new ATOM 0 HA ILE A 25 5.405 -8.534 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 25 4.274 -5.841 -2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.802 -8.180 -3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.881 -7.928 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.645 -5.608 -4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.408 -5.742 -4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.468 -7.143 -5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.799 -7.040 -2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.799 -5.726 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.719 -5.982 -4.088 1.00 0.00 H new ATOM 414 N ALA A 26 7.803 -7.688 -3.067 1.00 0.00 N ATOM 415 CA ALA A 26 9.148 -7.127 -3.055 1.00 0.00 C ATOM 416 C ALA A 26 9.329 -6.107 -4.173 1.00 0.00 C ATOM 417 O ALA A 26 9.900 -5.037 -3.963 1.00 0.00 O ATOM 418 CB ALA A 26 10.185 -8.234 -3.171 1.00 0.00 C ATOM 0 H ALA A 26 7.769 -8.696 -3.219 1.00 0.00 H new ATOM 0 HA ALA A 26 9.290 -6.612 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 26 11.184 -7.799 -3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.079 -8.921 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.035 -8.777 -4.104 1.00 0.00 H new ATOM 424 N GLU A 27 8.840 -6.447 -5.361 1.00 0.00 N ATOM 425 CA GLU A 27 9.006 -5.591 -6.530 1.00 0.00 C ATOM 426 C GLU A 27 8.503 -4.179 -6.256 1.00 0.00 C ATOM 427 O GLU A 27 9.241 -3.205 -6.410 1.00 0.00 O ATOM 428 CB GLU A 27 8.276 -6.183 -7.737 1.00 0.00 C ATOM 429 CG GLU A 27 8.406 -5.367 -9.014 1.00 0.00 C ATOM 430 CD GLU A 27 7.661 -6.008 -10.151 1.00 0.00 C ATOM 431 OE1 GLU A 27 7.094 -7.056 -9.948 1.00 0.00 O ATOM 432 OE2 GLU A 27 7.563 -5.399 -11.190 1.00 0.00 O ATOM 0 H GLU A 27 8.325 -7.309 -5.540 1.00 0.00 H new ATOM 0 HA GLU A 27 10.072 -5.536 -6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.659 -7.187 -7.921 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.219 -6.286 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.021 -4.361 -8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.459 -5.266 -9.278 1.00 0.00 H new ATOM 439 N LYS A 28 7.244 -4.075 -5.847 1.00 0.00 N ATOM 440 CA LYS A 28 6.615 -2.778 -5.626 1.00 0.00 C ATOM 441 C LYS A 28 7.043 -2.181 -4.291 1.00 0.00 C ATOM 442 O LYS A 28 6.874 -0.984 -4.052 1.00 0.00 O ATOM 443 CB LYS A 28 5.092 -2.903 -5.682 1.00 0.00 C ATOM 444 CG LYS A 28 4.546 -3.331 -7.037 1.00 0.00 C ATOM 445 CD LYS A 28 3.033 -3.492 -6.999 1.00 0.00 C ATOM 446 CE LYS A 28 2.483 -3.888 -8.361 1.00 0.00 C ATOM 447 NZ LYS A 28 0.998 -3.823 -8.401 1.00 0.00 N ATOM 0 H LYS A 28 6.638 -4.874 -5.661 1.00 0.00 H new ATOM 0 HA LYS A 28 6.943 -2.108 -6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.771 -3.624 -4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.651 -1.943 -5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.816 -2.591 -7.790 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.006 -4.273 -7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.764 -4.249 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.574 -2.557 -6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.896 -3.229 -9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.809 -4.900 -8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.654 -4.273 -9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.606 -4.321 -7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.693 -2.829 -8.381 1.00 0.00 H new ATOM 461 N TYR A 29 7.596 -3.020 -3.422 1.00 0.00 N ATOM 462 CA TYR A 29 8.146 -2.558 -2.153 1.00 0.00 C ATOM 463 C TYR A 29 9.343 -1.641 -2.373 1.00 0.00 C ATOM 464 O TYR A 29 9.496 -0.630 -1.689 1.00 0.00 O ATOM 465 CB TYR A 29 8.549 -3.748 -1.279 1.00 0.00 C ATOM 466 CG TYR A 29 9.163 -3.356 0.046 1.00 0.00 C ATOM 467 CD1 TYR A 29 8.363 -3.056 1.140 1.00 0.00 C ATOM 468 CD2 TYR A 29 10.538 -3.288 0.201 1.00 0.00 C ATOM 469 CE1 TYR A 29 8.917 -2.697 2.353 1.00 0.00 C ATOM 470 CE2 TYR A 29 11.105 -2.930 1.409 1.00 0.00 C ATOM 471 CZ TYR A 29 10.290 -2.635 2.483 1.00 0.00 C ATOM 472 OH TYR A 29 10.849 -2.279 3.690 1.00 0.00 O ATOM 0 H TYR A 29 7.675 -4.026 -3.574 1.00 0.00 H new ATOM 0 HA TYR A 29 7.370 -1.989 -1.641 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.669 -4.363 -1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.259 -4.366 -1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.289 -3.104 1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.178 -3.519 -0.638 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.280 -2.466 3.194 1.00 0.00 H new ATOM 0 HE2 TYR A 29 12.179 -2.881 1.512 1.00 0.00 H new ATOM 0 HH TYR A 29 11.826 -2.285 3.612 1.00 0.00 H new ATOM 482 N PHE A 30 10.191 -2.003 -3.330 1.00 0.00 N ATOM 483 CA PHE A 30 11.419 -1.259 -3.586 1.00 0.00 C ATOM 484 C PHE A 30 11.225 -0.244 -4.705 1.00 0.00 C ATOM 485 O PHE A 30 11.836 0.825 -4.699 1.00 0.00 O ATOM 486 CB PHE A 30 12.559 -2.217 -3.937 1.00 0.00 C ATOM 487 CG PHE A 30 13.016 -3.065 -2.785 1.00 0.00 C ATOM 488 CD1 PHE A 30 13.723 -2.505 -1.731 1.00 0.00 C ATOM 489 CD2 PHE A 30 12.739 -4.422 -2.750 1.00 0.00 C ATOM 490 CE1 PHE A 30 14.145 -3.282 -0.669 1.00 0.00 C ATOM 491 CE2 PHE A 30 13.159 -5.203 -1.690 1.00 0.00 C ATOM 492 CZ PHE A 30 13.861 -4.633 -0.651 1.00 0.00 C ATOM 0 H PHE A 30 10.050 -2.807 -3.941 1.00 0.00 H new ATOM 0 HA PHE A 30 11.678 -0.717 -2.676 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.236 -2.868 -4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 30 13.405 -1.639 -4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.946 -1.448 -1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.188 -4.875 -3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.696 -2.834 0.145 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.937 -6.260 -1.676 1.00 0.00 H new ATOM 0 HZ PHE A 30 14.189 -5.243 0.178 1.00 0.00 H new ATOM 502 N LYS A 31 10.368 -0.583 -5.663 1.00 0.00 N ATOM 503 CA LYS A 31 10.259 0.184 -6.899 1.00 0.00 C ATOM 504 C LYS A 31 9.077 1.144 -6.848 1.00 0.00 C ATOM 505 O LYS A 31 9.248 2.360 -6.949 1.00 0.00 O ATOM 506 CB LYS A 31 10.124 -0.753 -8.100 1.00 0.00 C ATOM 507 CG LYS A 31 11.322 -1.669 -8.322 1.00 0.00 C ATOM 508 CD LYS A 31 11.163 -2.488 -9.592 1.00 0.00 C ATOM 509 CE LYS A 31 12.338 -3.435 -9.792 1.00 0.00 C ATOM 510 NZ LYS A 31 12.199 -4.239 -11.037 1.00 0.00 N ATOM 0 H LYS A 31 9.739 -1.384 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 31 11.171 0.771 -7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.233 -1.366 -7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.969 -0.154 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.232 -1.072 -8.383 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.435 -2.337 -7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.236 -3.060 -9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.082 -1.820 -10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.264 -2.861 -9.832 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.415 -4.104 -8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.019 -4.871 -11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.329 -4.807 -10.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.152 -3.602 -11.858 1.00 0.00 H new ATOM 524 N LEU A 32 7.879 0.593 -6.691 1.00 0.00 N ATOM 525 CA LEU A 32 6.653 1.347 -6.914 1.00 0.00 C ATOM 526 C LEU A 32 6.467 2.424 -5.853 1.00 0.00 C ATOM 527 O LEU A 32 6.356 3.608 -6.169 1.00 0.00 O ATOM 528 CB LEU A 32 5.445 0.403 -6.933 1.00 0.00 C ATOM 529 CG LEU A 32 4.099 1.069 -7.250 1.00 0.00 C ATOM 530 CD1 LEU A 32 4.125 1.656 -8.655 1.00 0.00 C ATOM 531 CD2 LEU A 32 2.980 0.047 -7.114 1.00 0.00 C ATOM 0 H LEU A 32 7.731 -0.376 -6.409 1.00 0.00 H new ATOM 0 HA LEU A 32 6.732 1.840 -7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.627 -0.379 -7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.371 -0.085 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 32 3.920 1.880 -6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.166 2.126 -8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.918 2.401 -8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.310 0.862 -9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.025 0.521 -7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.151 -0.774 -7.810 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.962 -0.339 -6.095 1.00 0.00 H new ATOM 543 N ILE A 33 6.434 2.006 -4.593 1.00 0.00 N ATOM 544 CA ILE A 33 6.161 2.919 -3.488 1.00 0.00 C ATOM 545 C ILE A 33 7.260 3.964 -3.354 1.00 0.00 C ATOM 546 O ILE A 33 7.034 5.053 -2.827 1.00 0.00 O ATOM 547 CB ILE A 33 6.017 2.164 -2.155 1.00 0.00 C ATOM 548 CG1 ILE A 33 5.349 3.057 -1.106 1.00 0.00 C ATOM 549 CG2 ILE A 33 7.376 1.689 -1.664 1.00 0.00 C ATOM 550 CD1 ILE A 33 3.945 3.483 -1.472 1.00 0.00 C ATOM 0 H ILE A 33 6.593 1.039 -4.310 1.00 0.00 H new ATOM 0 HA ILE A 33 5.218 3.416 -3.716 1.00 0.00 H new ATOM 0 HB ILE A 33 5.385 1.291 -2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.321 2.526 -0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.961 3.946 -0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.256 1.157 -0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.817 1.021 -2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.030 2.548 -1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.538 4.113 -0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.967 4.043 -2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.317 2.600 -1.592 1.00 0.00 H new ATOM 562 N ALA A 34 8.453 3.629 -3.836 1.00 0.00 N ATOM 563 CA ALA A 34 9.564 4.573 -3.858 1.00 0.00 C ATOM 564 C ALA A 34 9.345 5.656 -4.908 1.00 0.00 C ATOM 565 O ALA A 34 9.878 6.760 -4.794 1.00 0.00 O ATOM 566 CB ALA A 34 10.874 3.842 -4.110 1.00 0.00 C ATOM 0 H ALA A 34 8.675 2.709 -4.217 1.00 0.00 H new ATOM 0 HA ALA A 34 9.616 5.058 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.694 4.560 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.042 3.113 -3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.825 3.328 -5.070 1.00 0.00 H new ATOM 572 N ASN A 35 8.560 5.332 -5.930 1.00 0.00 N ATOM 573 CA ASN A 35 8.272 6.275 -7.003 1.00 0.00 C ATOM 574 C ASN A 35 6.963 7.012 -6.752 1.00 0.00 C ATOM 575 O ASN A 35 6.480 7.749 -7.612 1.00 0.00 O ATOM 576 CB ASN A 35 8.235 5.585 -8.354 1.00 0.00 C ATOM 577 CG ASN A 35 9.582 5.112 -8.829 1.00 0.00 C ATOM 578 OD1 ASN A 35 10.621 5.677 -8.474 1.00 0.00 O ATOM 579 ND2 ASN A 35 9.561 4.129 -9.693 1.00 0.00 N ATOM 0 H ASN A 35 8.112 4.422 -6.037 1.00 0.00 H new ATOM 0 HA ASN A 35 9.082 7.004 -7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.559 4.732 -8.298 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.820 6.272 -9.092 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.431 3.795 -10.107 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.674 3.697 -9.952 1.00 0.00 H new ATOM 586 N ALA A 36 6.392 6.810 -5.570 1.00 0.00 N ATOM 587 CA ALA A 36 5.169 7.500 -5.182 1.00 0.00 C ATOM 588 C ALA A 36 5.340 9.012 -5.258 1.00 0.00 C ATOM 589 O ALA A 36 6.348 9.554 -4.806 1.00 0.00 O ATOM 590 CB ALA A 36 4.746 7.081 -3.782 1.00 0.00 C ATOM 0 H ALA A 36 6.758 6.172 -4.863 1.00 0.00 H new ATOM 0 HA ALA A 36 4.385 7.217 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.831 7.605 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.569 6.006 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.535 7.332 -3.073 1.00 0.00 H new ATOM 596 N LYS A 37 4.350 9.686 -5.832 1.00 0.00 N ATOM 597 CA LYS A 37 4.441 11.121 -6.073 1.00 0.00 C ATOM 598 C LYS A 37 3.454 11.890 -5.202 1.00 0.00 C ATOM 599 O LYS A 37 3.660 13.066 -4.904 1.00 0.00 O ATOM 600 CB LYS A 37 4.191 11.433 -7.550 1.00 0.00 C ATOM 601 CG LYS A 37 5.218 10.834 -8.500 1.00 0.00 C ATOM 602 CD LYS A 37 4.899 11.178 -9.948 1.00 0.00 C ATOM 603 CE LYS A 37 5.920 10.573 -10.900 1.00 0.00 C ATOM 604 NZ LYS A 37 5.571 10.823 -12.324 1.00 0.00 N ATOM 0 H LYS A 37 3.475 9.262 -6.139 1.00 0.00 H new ATOM 0 HA LYS A 37 5.449 11.440 -5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.202 11.066 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.178 12.515 -7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.211 11.205 -8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.241 9.751 -8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.903 10.812 -10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.882 12.261 -10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.904 10.991 -10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.986 9.499 -10.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.292 10.394 -12.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.643 10.402 -12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.533 11.848 -12.497 1.00 0.00 H new ATOM 618 N THR A 38 2.382 11.217 -4.797 1.00 0.00 N ATOM 619 CA THR A 38 1.367 11.833 -3.950 1.00 0.00 C ATOM 620 C THR A 38 0.532 10.777 -3.236 1.00 0.00 C ATOM 621 O THR A 38 0.715 9.579 -3.448 1.00 0.00 O ATOM 622 CB THR A 38 0.432 12.748 -4.764 1.00 0.00 C ATOM 623 OG1 THR A 38 -0.394 13.505 -3.869 1.00 0.00 O ATOM 624 CG2 THR A 38 -0.450 11.924 -5.688 1.00 0.00 C ATOM 0 H THR A 38 2.194 10.245 -5.042 1.00 0.00 H new ATOM 0 HA THR A 38 1.896 12.435 -3.211 1.00 0.00 H new ATOM 0 HB THR A 38 1.041 13.422 -5.367 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.988 14.088 -4.386 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.103 12.587 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.175 11.356 -6.377 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.055 11.237 -5.096 1.00 0.00 H new ATOM 632 N VAL A 39 -0.384 11.230 -2.387 1.00 0.00 N ATOM 633 CA VAL A 39 -1.127 10.333 -1.511 1.00 0.00 C ATOM 634 C VAL A 39 -2.193 9.567 -2.285 1.00 0.00 C ATOM 635 O VAL A 39 -2.593 8.472 -1.890 1.00 0.00 O ATOM 636 CB VAL A 39 -1.796 11.098 -0.353 1.00 0.00 C ATOM 637 CG1 VAL A 39 -0.744 11.734 0.542 1.00 0.00 C ATOM 638 CG2 VAL A 39 -2.746 12.156 -0.893 1.00 0.00 C ATOM 0 H VAL A 39 -0.630 12.215 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.405 9.628 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.372 10.389 0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.234 12.270 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.100 10.957 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.143 12.431 -0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.210 12.687 -0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.191 12.862 -1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.519 11.678 -1.495 1.00 0.00 H new ATOM 648 N GLU A 40 -2.652 10.151 -3.386 1.00 0.00 N ATOM 649 CA GLU A 40 -3.617 9.493 -4.258 1.00 0.00 C ATOM 650 C GLU A 40 -2.988 8.307 -4.980 1.00 0.00 C ATOM 651 O GLU A 40 -3.618 7.263 -5.146 1.00 0.00 O ATOM 652 CB GLU A 40 -4.187 10.484 -5.274 1.00 0.00 C ATOM 653 CG GLU A 40 -5.283 9.915 -6.163 1.00 0.00 C ATOM 654 CD GLU A 40 -5.855 10.970 -7.068 1.00 0.00 C ATOM 655 OE1 GLU A 40 -5.422 12.093 -6.988 1.00 0.00 O ATOM 656 OE2 GLU A 40 -6.647 10.630 -7.917 1.00 0.00 O ATOM 0 H GLU A 40 -2.370 11.081 -3.696 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.429 9.121 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.582 11.347 -4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.375 10.845 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.881 9.098 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.076 9.496 -5.543 1.00 0.00 H new ATOM 663 N GLY A 41 -1.742 8.477 -5.409 1.00 0.00 N ATOM 664 CA GLY A 41 -0.999 7.398 -6.050 1.00 0.00 C ATOM 665 C GLY A 41 -0.760 6.244 -5.085 1.00 0.00 C ATOM 666 O GLY A 41 -0.902 5.077 -5.450 1.00 0.00 O ATOM 0 H GLY A 41 -1.225 9.352 -5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.550 7.040 -6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.043 7.776 -6.412 1.00 0.00 H new ATOM 670 N VAL A 42 -0.395 6.577 -3.852 1.00 0.00 N ATOM 671 CA VAL A 42 -0.187 5.571 -2.817 1.00 0.00 C ATOM 672 C VAL A 42 -1.479 4.829 -2.501 1.00 0.00 C ATOM 673 O VAL A 42 -1.477 3.612 -2.311 1.00 0.00 O ATOM 674 CB VAL A 42 0.361 6.199 -1.521 1.00 0.00 C ATOM 675 CG1 VAL A 42 0.375 5.174 -0.397 1.00 0.00 C ATOM 676 CG2 VAL A 42 1.757 6.758 -1.748 1.00 0.00 C ATOM 0 H VAL A 42 -0.237 7.537 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 42 0.547 4.866 -3.208 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.296 7.019 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.765 5.635 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.639 4.818 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.009 4.334 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.128 7.197 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.424 5.955 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.721 7.523 -2.524 1.00 0.00 H new ATOM 686 N TRP A 43 -2.583 5.567 -2.449 1.00 0.00 N ATOM 687 CA TRP A 43 -3.896 4.967 -2.246 1.00 0.00 C ATOM 688 C TRP A 43 -4.235 3.990 -3.365 1.00 0.00 C ATOM 689 O TRP A 43 -4.802 2.925 -3.120 1.00 0.00 O ATOM 690 CB TRP A 43 -4.969 6.054 -2.157 1.00 0.00 C ATOM 691 CG TRP A 43 -6.350 5.515 -1.940 1.00 0.00 C ATOM 692 CD1 TRP A 43 -6.909 5.158 -0.749 1.00 0.00 C ATOM 693 CD2 TRP A 43 -7.347 5.271 -2.940 1.00 0.00 C ATOM 694 NE1 TRP A 43 -8.191 4.706 -0.944 1.00 0.00 N ATOM 695 CE2 TRP A 43 -8.484 4.767 -2.283 1.00 0.00 C ATOM 696 CE3 TRP A 43 -7.388 5.431 -4.331 1.00 0.00 C ATOM 697 CZ2 TRP A 43 -9.642 4.421 -2.961 1.00 0.00 C ATOM 698 CZ3 TRP A 43 -8.550 5.086 -5.011 1.00 0.00 C ATOM 699 CH2 TRP A 43 -9.645 4.596 -4.345 1.00 0.00 C ATOM 0 H TRP A 43 -2.594 6.582 -2.545 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.869 4.414 -1.307 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.720 6.733 -1.341 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.957 6.641 -3.075 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.415 5.221 0.209 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -8.822 4.378 -0.213 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.532 5.816 -4.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.505 4.033 -2.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.592 5.206 -6.084 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -10.531 4.339 -4.906 1.00 0.00 H new ATOM 710 N THR A 44 -3.883 4.358 -4.593 1.00 0.00 N ATOM 711 CA THR A 44 -4.033 3.463 -5.732 1.00 0.00 C ATOM 712 C THR A 44 -3.180 2.212 -5.567 1.00 0.00 C ATOM 713 O THR A 44 -3.610 1.107 -5.900 1.00 0.00 O ATOM 714 CB THR A 44 -3.654 4.161 -7.052 1.00 0.00 C ATOM 715 OG1 THR A 44 -4.538 5.265 -7.284 1.00 0.00 O ATOM 716 CG2 THR A 44 -3.748 3.187 -8.217 1.00 0.00 C ATOM 0 H THR A 44 -3.492 5.271 -4.824 1.00 0.00 H new ATOM 0 HA THR A 44 -5.084 3.178 -5.771 1.00 0.00 H new ATOM 0 HB THR A 44 -2.628 4.520 -6.973 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.339 5.983 -6.647 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.477 3.698 -9.141 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.066 2.353 -8.050 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.768 2.812 -8.296 1.00 0.00 H new ATOM 724 N TYR A 45 -1.968 2.393 -5.053 1.00 0.00 N ATOM 725 CA TYR A 45 -1.068 1.272 -4.801 1.00 0.00 C ATOM 726 C TYR A 45 -1.673 0.295 -3.801 1.00 0.00 C ATOM 727 O TYR A 45 -1.506 -0.919 -3.925 1.00 0.00 O ATOM 728 CB TYR A 45 0.283 1.776 -4.290 1.00 0.00 C ATOM 729 CG TYR A 45 1.008 2.680 -5.263 1.00 0.00 C ATOM 730 CD1 TYR A 45 0.578 2.804 -6.576 1.00 0.00 C ATOM 731 CD2 TYR A 45 2.120 3.407 -4.865 1.00 0.00 C ATOM 732 CE1 TYR A 45 1.236 3.628 -7.468 1.00 0.00 C ATOM 733 CE2 TYR A 45 2.785 4.233 -5.748 1.00 0.00 C ATOM 734 CZ TYR A 45 2.340 4.342 -7.051 1.00 0.00 C ATOM 735 OH TYR A 45 2.999 5.164 -7.934 1.00 0.00 O ATOM 0 H TYR A 45 -1.586 3.305 -4.803 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.917 0.746 -5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.129 2.314 -3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.917 0.919 -4.064 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.286 2.247 -6.906 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.471 3.325 -3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.888 3.713 -8.487 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.650 4.792 -5.422 1.00 0.00 H new ATOM 0 HH TYR A 45 3.753 5.594 -7.480 1.00 0.00 H new ATOM 745 N LYS A 46 -2.376 0.830 -2.809 1.00 0.00 N ATOM 746 CA LYS A 46 -3.101 0.003 -1.851 1.00 0.00 C ATOM 747 C LYS A 46 -4.112 -0.894 -2.551 1.00 0.00 C ATOM 748 O LYS A 46 -4.234 -2.077 -2.232 1.00 0.00 O ATOM 749 CB LYS A 46 -3.806 0.879 -0.813 1.00 0.00 C ATOM 750 CG LYS A 46 -4.546 0.102 0.267 1.00 0.00 C ATOM 751 CD LYS A 46 -5.309 1.035 1.196 1.00 0.00 C ATOM 752 CE LYS A 46 -6.063 0.258 2.266 1.00 0.00 C ATOM 753 NZ LYS A 46 -6.986 1.131 3.039 1.00 0.00 N ATOM 0 H LYS A 46 -2.459 1.834 -2.647 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.375 -0.633 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.067 1.524 -0.338 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.515 1.530 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.239 -0.599 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.835 -0.488 0.845 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.614 1.728 1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.011 1.634 0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.631 -0.546 1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.350 -0.209 2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.338 0.614 3.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.478 1.983 3.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.788 1.407 2.437 1.00 0.00 H new ATOM 767 N ASP A 47 -4.837 -0.326 -3.509 1.00 0.00 N ATOM 768 CA ASP A 47 -5.791 -1.090 -4.305 1.00 0.00 C ATOM 769 C ASP A 47 -5.093 -2.190 -5.095 1.00 0.00 C ATOM 770 O ASP A 47 -5.646 -3.271 -5.294 1.00 0.00 O ATOM 771 CB ASP A 47 -6.559 -0.168 -5.254 1.00 0.00 C ATOM 772 CG ASP A 47 -7.584 0.726 -4.570 1.00 0.00 C ATOM 773 OD1 ASP A 47 -7.873 0.495 -3.420 1.00 0.00 O ATOM 774 OD2 ASP A 47 -7.953 1.722 -5.146 1.00 0.00 O ATOM 0 H ASP A 47 -4.782 0.663 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.497 -1.558 -3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.845 0.460 -5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.068 -0.778 -6.001 1.00 0.00 H new ATOM 779 N GLU A 48 -3.874 -1.907 -5.543 1.00 0.00 N ATOM 780 CA GLU A 48 -3.078 -2.889 -6.269 1.00 0.00 C ATOM 781 C GLU A 48 -2.594 -3.998 -5.346 1.00 0.00 C ATOM 782 O GLU A 48 -2.416 -5.139 -5.770 1.00 0.00 O ATOM 783 CB GLU A 48 -1.887 -2.212 -6.952 1.00 0.00 C ATOM 784 CG GLU A 48 -2.259 -1.310 -8.120 1.00 0.00 C ATOM 785 CD GLU A 48 -1.035 -0.758 -8.795 1.00 0.00 C ATOM 786 OE1 GLU A 48 0.049 -1.097 -8.386 1.00 0.00 O ATOM 787 OE2 GLU A 48 -1.182 -0.087 -9.789 1.00 0.00 O ATOM 0 H GLU A 48 -3.416 -1.005 -5.416 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.715 -3.337 -7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.347 -1.622 -6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.202 -2.982 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.853 -1.872 -8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.882 -0.489 -7.764 1.00 0.00 H new ATOM 794 N ILE A 49 -2.380 -3.655 -4.079 1.00 0.00 N ATOM 795 CA ILE A 49 -2.043 -4.646 -3.065 1.00 0.00 C ATOM 796 C ILE A 49 -3.200 -5.610 -2.831 1.00 0.00 C ATOM 797 O ILE A 49 -2.992 -6.813 -2.670 1.00 0.00 O ATOM 798 CB ILE A 49 -1.665 -3.980 -1.728 1.00 0.00 C ATOM 799 CG1 ILE A 49 -0.350 -3.209 -1.869 1.00 0.00 C ATOM 800 CG2 ILE A 49 -1.560 -5.022 -0.626 1.00 0.00 C ATOM 801 CD1 ILE A 49 -0.038 -2.314 -0.693 1.00 0.00 C ATOM 0 H ILE A 49 -2.434 -2.698 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.183 -5.200 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.450 -3.274 -1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.465 -3.921 -1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.390 -2.603 -2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.292 -4.534 0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.519 -5.528 -0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.794 -5.752 -0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.908 -1.802 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.833 -1.578 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.036 -2.916 0.213 1.00 0.00 H new ATOM 813 N LYS A 50 -4.415 -5.077 -2.814 1.00 0.00 N ATOM 814 CA LYS A 50 -5.614 -5.903 -2.769 1.00 0.00 C ATOM 815 C LYS A 50 -5.718 -6.790 -4.002 1.00 0.00 C ATOM 816 O LYS A 50 -6.052 -7.972 -3.902 1.00 0.00 O ATOM 817 CB LYS A 50 -6.863 -5.029 -2.643 1.00 0.00 C ATOM 818 CG LYS A 50 -7.015 -4.340 -1.292 1.00 0.00 C ATOM 819 CD LYS A 50 -8.295 -3.520 -1.231 1.00 0.00 C ATOM 820 CE LYS A 50 -8.448 -2.832 0.117 1.00 0.00 C ATOM 821 NZ LYS A 50 -9.706 -2.039 0.199 1.00 0.00 N ATOM 0 H LYS A 50 -4.596 -4.073 -2.831 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.543 -6.546 -1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.840 -4.269 -3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.743 -5.646 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.021 -5.088 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.157 -3.692 -1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.289 -2.773 -2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.153 -4.168 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.439 -3.581 0.909 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.594 -2.176 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.771 -1.587 1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.704 -1.308 -0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.523 -2.668 0.061 1.00 0.00 H new ATOM 835 N THR A 51 -5.433 -6.215 -5.165 1.00 0.00 N ATOM 836 CA THR A 51 -5.423 -6.971 -6.411 1.00 0.00 C ATOM 837 C THR A 51 -4.414 -8.110 -6.358 1.00 0.00 C ATOM 838 O THR A 51 -4.691 -9.219 -6.812 1.00 0.00 O ATOM 839 CB THR A 51 -5.099 -6.068 -7.616 1.00 0.00 C ATOM 840 OG1 THR A 51 -6.111 -5.061 -7.749 1.00 0.00 O ATOM 841 CG2 THR A 51 -5.036 -6.888 -8.896 1.00 0.00 C ATOM 0 H THR A 51 -5.206 -5.226 -5.271 1.00 0.00 H new ATOM 0 HA THR A 51 -6.424 -7.384 -6.535 1.00 0.00 H new ATOM 0 HB THR A 51 -4.129 -5.599 -7.448 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.047 -4.432 -7.001 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.806 -6.233 -9.737 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.259 -7.647 -8.804 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.998 -7.372 -9.066 1.00 0.00 H new ATOM 849 N PHE A 52 -3.241 -7.828 -5.800 1.00 0.00 N ATOM 850 CA PHE A 52 -2.213 -8.848 -5.621 1.00 0.00 C ATOM 851 C PHE A 52 -2.752 -10.040 -4.842 1.00 0.00 C ATOM 852 O PHE A 52 -2.593 -11.188 -5.256 1.00 0.00 O ATOM 853 CB PHE A 52 -0.995 -8.259 -4.908 1.00 0.00 C ATOM 854 CG PHE A 52 0.039 -9.281 -4.532 1.00 0.00 C ATOM 855 CD1 PHE A 52 0.990 -9.698 -5.453 1.00 0.00 C ATOM 856 CD2 PHE A 52 0.064 -9.829 -3.259 1.00 0.00 C ATOM 857 CE1 PHE A 52 1.942 -10.639 -5.108 1.00 0.00 C ATOM 858 CE2 PHE A 52 1.015 -10.768 -2.911 1.00 0.00 C ATOM 859 CZ PHE A 52 1.955 -11.173 -3.838 1.00 0.00 C ATOM 0 H PHE A 52 -2.978 -6.901 -5.464 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.910 -9.196 -6.609 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.535 -7.510 -5.553 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.327 -7.743 -4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.986 -9.283 -6.450 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.670 -9.518 -2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.676 -10.956 -5.834 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.024 -11.185 -1.915 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.699 -11.907 -3.568 1.00 0.00 H new ATOM 869 N THR A 53 -3.391 -9.762 -3.709 1.00 0.00 N ATOM 870 CA THR A 53 -3.960 -10.811 -2.874 1.00 0.00 C ATOM 871 C THR A 53 -4.988 -11.632 -3.644 1.00 0.00 C ATOM 872 O THR A 53 -5.042 -12.855 -3.516 1.00 0.00 O ATOM 873 CB THR A 53 -4.624 -10.230 -1.611 1.00 0.00 C ATOM 874 OG1 THR A 53 -3.639 -9.556 -0.818 1.00 0.00 O ATOM 875 CG2 THR A 53 -5.263 -11.336 -0.786 1.00 0.00 C ATOM 0 H THR A 53 -3.527 -8.817 -3.349 1.00 0.00 H new ATOM 0 HA THR A 53 -3.134 -11.457 -2.575 1.00 0.00 H new ATOM 0 HB THR A 53 -5.398 -9.527 -1.917 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.063 -9.185 -0.016 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.727 -10.906 0.102 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.022 -11.843 -1.382 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.499 -12.053 -0.485 1.00 0.00 H new ATOM 883 N VAL A 54 -5.803 -10.950 -4.443 1.00 0.00 N ATOM 884 CA VAL A 54 -6.820 -11.617 -5.248 1.00 0.00 C ATOM 885 C VAL A 54 -6.185 -12.508 -6.308 1.00 0.00 C ATOM 886 O VAL A 54 -6.655 -13.617 -6.564 1.00 0.00 O ATOM 887 CB VAL A 54 -7.750 -10.601 -5.935 1.00 0.00 C ATOM 888 CG1 VAL A 54 -8.652 -11.301 -6.941 1.00 0.00 C ATOM 889 CG2 VAL A 54 -8.584 -9.858 -4.903 1.00 0.00 C ATOM 0 H VAL A 54 -5.779 -9.936 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.409 -12.232 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.134 -9.876 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.303 -10.568 -7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.041 -11.790 -7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.259 -12.047 -6.428 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.235 -9.144 -5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.191 -10.571 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.925 -9.326 -4.217 1.00 0.00 H new ATOM 899 N THR A 55 -5.114 -12.016 -6.923 1.00 0.00 N ATOM 900 CA THR A 55 -4.472 -12.725 -8.024 1.00 0.00 C ATOM 901 C THR A 55 -3.333 -13.604 -7.522 1.00 0.00 C ATOM 902 O THR A 55 -2.758 -14.384 -8.283 1.00 0.00 O ATOM 903 CB THR A 55 -3.924 -11.747 -9.080 1.00 0.00 C ATOM 904 OG1 THR A 55 -2.937 -10.898 -8.483 1.00 0.00 O ATOM 905 CG2 THR A 55 -5.047 -10.892 -9.649 1.00 0.00 C ATOM 0 H THR A 55 -4.673 -11.130 -6.678 1.00 0.00 H new ATOM 0 HA THR A 55 -5.236 -13.352 -8.483 1.00 0.00 H new ATOM 0 HB THR A 55 -3.475 -12.324 -9.889 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.378 -10.240 -7.905 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.641 -10.207 -10.393 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.793 -11.535 -10.116 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.512 -10.321 -8.846 1.00 0.00 H new ATOM 913 N GLU A 56 -3.012 -13.474 -6.240 1.00 0.00 N ATOM 914 CA GLU A 56 -1.929 -14.245 -5.639 1.00 0.00 C ATOM 915 C GLU A 56 -2.011 -15.713 -6.038 1.00 0.00 C ATOM 916 O GLU A 56 -1.605 -16.068 -7.109 1.00 0.00 O ATOM 917 CB GLU A 56 -1.958 -14.111 -4.115 1.00 0.00 C ATOM 918 CG GLU A 56 -0.823 -14.830 -3.400 1.00 0.00 C ATOM 919 CD GLU A 56 -0.904 -14.634 -1.911 1.00 0.00 C ATOM 920 OE1 GLU A 56 -1.762 -13.904 -1.474 1.00 0.00 O ATOM 921 OE2 GLU A 56 -0.185 -15.300 -1.206 1.00 0.00 O ATOM 922 OXT GLU A 56 -2.484 -16.514 -5.278 1.00 0.00 O ATOM 0 H GLU A 56 -3.487 -12.841 -5.596 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.987 -13.843 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.923 -13.053 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.907 -14.499 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.861 -15.894 -3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.134 -14.458 -3.766 1.00 0.00 H new TER 929 GLU A 56