USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 487 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.148 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 152:sc= -0.994 (180deg=-1.94!) USER MOD Single : A 21 GLN : amide:sc=-0.00158 K(o=-0.0016,f=-1.5) USER MOD Single : A 22 THR OG1 : rot 141:sc= 0.646 USER MOD Single : A 26 HIS : no HE2:sc= 0.85 K(o=0.85,f=-3.9!) USER MOD Single : A 30 LYS NZ :NH3+ -147:sc= -0.243 (180deg=-2.13!) USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= 0.455 (180deg=-0.115) USER MOD Single : A 36 SER OG : rot 130:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 1.04 K(o=1,f=-4.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.21) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.31) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= -0.033 (180deg=-0.246) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.314 -17.394 -2.877 1.00 0.00 N ATOM 2 CA GLY A 1 9.606 -16.851 -2.438 1.00 0.00 C ATOM 3 C GLY A 1 9.948 -15.587 -3.184 1.00 0.00 C ATOM 4 O GLY A 1 9.217 -15.200 -4.102 1.00 0.00 O ATOM 0 H1 GLY A 1 7.667 -17.450 -2.065 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.905 -16.772 -3.603 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.454 -18.345 -3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.573 -16.647 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.388 -17.593 -2.597 1.00 0.00 H new ATOM 10 N PRO A 2 11.053 -14.919 -2.829 1.00 0.00 N ATOM 11 CA PRO A 2 11.450 -13.663 -3.469 1.00 0.00 C ATOM 12 C PRO A 2 11.861 -13.869 -4.925 1.00 0.00 C ATOM 13 O PRO A 2 12.394 -14.921 -5.292 1.00 0.00 O ATOM 14 CB PRO A 2 12.633 -13.192 -2.620 1.00 0.00 C ATOM 15 CG PRO A 2 13.202 -14.448 -2.059 1.00 0.00 C ATOM 16 CD PRO A 2 12.022 -15.341 -1.796 1.00 0.00 C ATOM 0 HA PRO A 2 10.636 -12.940 -3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.367 -12.656 -3.222 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.311 -12.513 -1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 2 13.896 -14.911 -2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.758 -14.252 -1.142 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.283 -16.395 -1.893 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.626 -15.202 -0.790 1.00 0.00 H new ATOM 24 N LEU A 3 11.597 -12.880 -5.744 1.00 0.00 N ATOM 25 CA LEU A 3 11.888 -12.962 -7.151 1.00 0.00 C ATOM 26 C LEU A 3 13.000 -11.980 -7.495 1.00 0.00 C ATOM 27 O LEU A 3 12.882 -10.781 -7.241 1.00 0.00 O ATOM 28 CB LEU A 3 10.603 -12.664 -7.956 1.00 0.00 C ATOM 29 CG LEU A 3 10.621 -12.948 -9.471 1.00 0.00 C ATOM 30 CD1 LEU A 3 9.202 -13.065 -9.985 1.00 0.00 C ATOM 31 CD2 LEU A 3 11.341 -11.846 -10.241 1.00 0.00 C ATOM 0 H LEU A 3 11.175 -11.998 -5.453 1.00 0.00 H new ATOM 0 HA LEU A 3 12.228 -13.965 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.791 -13.243 -7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.356 -11.612 -7.816 1.00 0.00 H new ATOM 0 HG LEU A 3 11.159 -13.883 -9.627 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.218 -13.266 -11.056 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.695 -13.881 -9.471 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.670 -12.132 -9.799 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.333 -12.081 -11.305 1.00 0.00 H new ATOM 0 HD22 LEU A 3 10.834 -10.896 -10.076 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.371 -11.773 -9.893 1.00 0.00 H new ATOM 43 N GLY A 4 14.069 -12.487 -8.064 1.00 0.00 N ATOM 44 CA GLY A 4 15.177 -11.644 -8.437 1.00 0.00 C ATOM 45 C GLY A 4 16.125 -12.361 -9.364 1.00 0.00 C ATOM 46 O GLY A 4 16.537 -11.826 -10.387 1.00 0.00 O ATOM 0 H GLY A 4 14.193 -13.477 -8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.803 -10.742 -8.922 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.712 -11.326 -7.542 1.00 0.00 H new ATOM 50 N SER A 5 16.459 -13.581 -9.012 1.00 0.00 N ATOM 51 CA SER A 5 17.311 -14.419 -9.832 1.00 0.00 C ATOM 52 C SER A 5 16.450 -15.339 -10.708 1.00 0.00 C ATOM 53 O SER A 5 16.801 -16.487 -10.960 1.00 0.00 O ATOM 54 CB SER A 5 18.231 -15.248 -8.925 1.00 0.00 C ATOM 55 OG SER A 5 19.006 -14.403 -8.077 1.00 0.00 O ATOM 0 H SER A 5 16.148 -14.024 -8.147 1.00 0.00 H new ATOM 0 HA SER A 5 17.922 -13.795 -10.484 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.633 -15.929 -8.319 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.893 -15.862 -9.536 1.00 0.00 H new ATOM 0 HG SER A 5 19.583 -14.953 -7.507 1.00 0.00 H new ATOM 61 N LYS A 6 15.334 -14.812 -11.186 1.00 0.00 N ATOM 62 CA LYS A 6 14.384 -15.598 -11.952 1.00 0.00 C ATOM 63 C LYS A 6 14.847 -15.761 -13.399 1.00 0.00 C ATOM 64 O LYS A 6 14.883 -14.798 -14.168 1.00 0.00 O ATOM 65 CB LYS A 6 12.992 -14.946 -11.908 1.00 0.00 C ATOM 66 CG LYS A 6 11.903 -15.718 -12.650 1.00 0.00 C ATOM 67 CD LYS A 6 11.560 -17.037 -11.960 1.00 0.00 C ATOM 68 CE LYS A 6 10.812 -16.817 -10.647 1.00 0.00 C ATOM 69 NZ LYS A 6 10.427 -18.099 -10.001 1.00 0.00 N ATOM 0 H LYS A 6 15.064 -13.837 -11.055 1.00 0.00 H new ATOM 0 HA LYS A 6 14.324 -16.589 -11.501 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.692 -14.832 -10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.061 -13.944 -12.332 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.006 -15.102 -12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.232 -15.918 -13.670 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.951 -17.647 -12.627 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.477 -17.594 -11.766 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.439 -16.242 -9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.917 -16.223 -10.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.922 -17.903 -9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.808 -18.637 -10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.282 -18.655 -9.797 1.00 0.00 H new ATOM 83 N TYR A 7 15.211 -16.979 -13.747 1.00 0.00 N ATOM 84 CA TYR A 7 15.601 -17.326 -15.107 1.00 0.00 C ATOM 85 C TYR A 7 14.600 -18.285 -15.722 1.00 0.00 C ATOM 86 O TYR A 7 14.841 -18.868 -16.780 1.00 0.00 O ATOM 87 CB TYR A 7 17.017 -17.906 -15.149 1.00 0.00 C ATOM 88 CG TYR A 7 18.074 -16.909 -14.754 1.00 0.00 C ATOM 89 CD1 TYR A 7 18.517 -15.953 -15.656 1.00 0.00 C ATOM 90 CD2 TYR A 7 18.619 -16.912 -13.484 1.00 0.00 C ATOM 91 CE1 TYR A 7 19.471 -15.028 -15.298 1.00 0.00 C ATOM 92 CE2 TYR A 7 19.569 -15.988 -13.116 1.00 0.00 C ATOM 93 CZ TYR A 7 19.994 -15.050 -14.026 1.00 0.00 C ATOM 94 OH TYR A 7 20.941 -14.123 -13.659 1.00 0.00 O ATOM 0 H TYR A 7 15.246 -17.762 -13.095 1.00 0.00 H new ATOM 0 HA TYR A 7 15.604 -16.411 -15.699 1.00 0.00 H new ATOM 0 HB2 TYR A 7 17.071 -18.767 -14.483 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.225 -18.268 -16.156 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.107 -15.934 -16.655 1.00 0.00 H new ATOM 0 HD2 TYR A 7 18.293 -17.652 -12.768 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.807 -14.290 -16.011 1.00 0.00 H new ATOM 0 HE2 TYR A 7 19.979 -16.000 -12.117 1.00 0.00 H new ATOM 0 HH TYR A 7 21.205 -14.276 -12.728 1.00 0.00 H new ATOM 104 N GLU A 8 13.492 -18.460 -15.042 1.00 0.00 N ATOM 105 CA GLU A 8 12.411 -19.274 -15.540 1.00 0.00 C ATOM 106 C GLU A 8 11.324 -18.381 -16.106 1.00 0.00 C ATOM 107 O GLU A 8 10.772 -17.541 -15.389 1.00 0.00 O ATOM 108 CB GLU A 8 11.848 -20.147 -14.414 1.00 0.00 C ATOM 109 CG GLU A 8 10.708 -21.057 -14.837 1.00 0.00 C ATOM 110 CD GLU A 8 10.189 -21.893 -13.694 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.439 -21.362 -12.854 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.532 -23.091 -13.618 1.00 0.00 O ATOM 0 H GLU A 8 13.315 -18.042 -14.129 1.00 0.00 H new ATOM 0 HA GLU A 8 12.785 -19.926 -16.330 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.653 -20.759 -14.007 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.501 -19.500 -13.608 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.895 -20.454 -15.241 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.048 -21.713 -15.639 1.00 0.00 H new ATOM 119 N CYS A 9 11.031 -18.555 -17.383 1.00 0.00 N ATOM 120 CA CYS A 9 9.993 -17.788 -18.051 1.00 0.00 C ATOM 121 C CYS A 9 8.634 -18.236 -17.532 1.00 0.00 C ATOM 122 O CYS A 9 8.206 -19.355 -17.796 1.00 0.00 O ATOM 123 CB CYS A 9 10.087 -18.023 -19.562 1.00 0.00 C ATOM 124 SG CYS A 9 8.848 -17.154 -20.595 1.00 0.00 S ATOM 0 H CYS A 9 11.504 -19.229 -17.985 1.00 0.00 H new ATOM 0 HA CYS A 9 10.121 -16.725 -17.849 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.081 -17.723 -19.894 1.00 0.00 H new ATOM 0 HB3 CYS A 9 9.998 -19.093 -19.748 1.00 0.00 H new ATOM 129 N PRO A 10 7.933 -17.380 -16.778 1.00 0.00 N ATOM 130 CA PRO A 10 6.692 -17.770 -16.102 1.00 0.00 C ATOM 131 C PRO A 10 5.552 -18.082 -17.075 1.00 0.00 C ATOM 132 O PRO A 10 4.575 -18.742 -16.709 1.00 0.00 O ATOM 133 CB PRO A 10 6.355 -16.540 -15.253 1.00 0.00 C ATOM 134 CG PRO A 10 7.022 -15.402 -15.945 1.00 0.00 C ATOM 135 CD PRO A 10 8.286 -15.966 -16.528 1.00 0.00 C ATOM 0 HA PRO A 10 6.817 -18.687 -15.527 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.278 -16.387 -15.189 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.722 -16.652 -14.233 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.382 -14.988 -16.724 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.239 -14.593 -15.248 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.571 -15.453 -17.446 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.125 -15.875 -15.838 1.00 0.00 H new ATOM 143 N ILE A 11 5.667 -17.594 -18.304 1.00 0.00 N ATOM 144 CA ILE A 11 4.661 -17.854 -19.322 1.00 0.00 C ATOM 145 C ILE A 11 4.627 -19.338 -19.726 1.00 0.00 C ATOM 146 O ILE A 11 3.557 -19.948 -19.820 1.00 0.00 O ATOM 147 CB ILE A 11 4.856 -16.953 -20.566 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.594 -15.489 -20.192 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.934 -17.384 -21.706 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.924 -14.502 -21.292 1.00 0.00 C ATOM 0 H ILE A 11 6.447 -17.017 -18.618 1.00 0.00 H new ATOM 0 HA ILE A 11 3.697 -17.607 -18.878 1.00 0.00 H new ATOM 0 HB ILE A 11 5.885 -17.057 -20.910 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.544 -15.377 -19.920 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.180 -15.240 -19.307 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.092 -16.734 -22.567 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.156 -18.414 -21.984 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.896 -17.311 -21.382 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.711 -13.490 -20.948 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.980 -14.583 -21.549 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.319 -14.722 -22.171 1.00 0.00 H new ATOM 162 N CYS A 12 5.799 -19.919 -19.929 1.00 0.00 N ATOM 163 CA CYS A 12 5.889 -21.289 -20.406 1.00 0.00 C ATOM 164 C CYS A 12 6.364 -22.237 -19.314 1.00 0.00 C ATOM 165 O CYS A 12 6.162 -23.456 -19.400 1.00 0.00 O ATOM 166 CB CYS A 12 6.839 -21.351 -21.597 1.00 0.00 C ATOM 167 SG CYS A 12 8.506 -20.695 -21.261 1.00 0.00 S ATOM 0 H CYS A 12 6.698 -19.464 -19.771 1.00 0.00 H new ATOM 0 HA CYS A 12 4.891 -21.608 -20.708 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.928 -22.387 -21.922 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.402 -20.793 -22.425 1.00 0.00 H new ATOM 172 N LEU A 13 7.001 -21.663 -18.295 1.00 0.00 N ATOM 173 CA LEU A 13 7.607 -22.395 -17.187 1.00 0.00 C ATOM 174 C LEU A 13 8.837 -23.174 -17.656 1.00 0.00 C ATOM 175 O LEU A 13 9.280 -24.127 -17.017 1.00 0.00 O ATOM 176 CB LEU A 13 6.583 -23.296 -16.482 1.00 0.00 C ATOM 177 CG LEU A 13 5.441 -22.569 -15.763 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.440 -23.561 -15.198 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.986 -21.673 -14.661 1.00 0.00 C ATOM 0 H LEU A 13 7.112 -20.652 -18.216 1.00 0.00 H new ATOM 0 HA LEU A 13 7.946 -21.670 -16.447 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.151 -23.971 -17.221 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.110 -23.914 -15.755 1.00 0.00 H new ATOM 0 HG LEU A 13 4.925 -21.943 -16.492 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.639 -23.022 -14.692 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.021 -24.157 -16.009 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.941 -24.218 -14.486 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.160 -21.166 -14.163 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.531 -22.278 -13.936 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.659 -20.932 -15.094 1.00 0.00 H new ATOM 191 N MET A 14 9.412 -22.725 -18.755 1.00 0.00 N ATOM 192 CA MET A 14 10.607 -23.331 -19.309 1.00 0.00 C ATOM 193 C MET A 14 11.780 -22.370 -19.188 1.00 0.00 C ATOM 194 O MET A 14 11.599 -21.194 -18.831 1.00 0.00 O ATOM 195 CB MET A 14 10.412 -23.719 -20.783 1.00 0.00 C ATOM 196 CG MET A 14 9.357 -24.789 -21.027 1.00 0.00 C ATOM 197 SD MET A 14 9.277 -25.319 -22.759 1.00 0.00 S ATOM 198 CE MET A 14 8.673 -23.833 -23.560 1.00 0.00 C ATOM 0 H MET A 14 9.063 -21.929 -19.289 1.00 0.00 H new ATOM 0 HA MET A 14 10.812 -24.239 -18.742 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.141 -22.826 -21.346 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.364 -24.070 -21.181 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.571 -25.653 -20.397 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.382 -24.407 -20.724 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.026 -23.806 -24.591 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.583 -23.831 -23.549 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.042 -22.957 -23.027 1.00 0.00 H new ATOM 208 N ALA A 15 12.974 -22.875 -19.458 1.00 0.00 N ATOM 209 CA ALA A 15 14.174 -22.059 -19.471 1.00 0.00 C ATOM 210 C ALA A 15 14.074 -20.987 -20.551 1.00 0.00 C ATOM 211 O ALA A 15 13.353 -21.153 -21.541 1.00 0.00 O ATOM 212 CB ALA A 15 15.395 -22.925 -19.710 1.00 0.00 C ATOM 0 H ALA A 15 13.136 -23.859 -19.673 1.00 0.00 H new ATOM 0 HA ALA A 15 14.272 -21.572 -18.501 1.00 0.00 H new ATOM 0 HB1 ALA A 15 16.288 -22.300 -19.717 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.477 -23.666 -18.915 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.299 -23.432 -20.670 1.00 0.00 H new ATOM 218 N LEU A 16 14.792 -19.900 -20.362 1.00 0.00 N ATOM 219 CA LEU A 16 14.731 -18.771 -21.267 1.00 0.00 C ATOM 220 C LEU A 16 15.400 -19.128 -22.582 1.00 0.00 C ATOM 221 O LEU A 16 16.586 -19.471 -22.611 1.00 0.00 O ATOM 222 CB LEU A 16 15.476 -17.595 -20.639 1.00 0.00 C ATOM 223 CG LEU A 16 14.939 -17.083 -19.305 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.851 -16.014 -18.735 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.534 -16.543 -19.475 1.00 0.00 C ATOM 0 H LEU A 16 15.433 -19.774 -19.579 1.00 0.00 H new ATOM 0 HA LEU A 16 13.689 -18.508 -21.449 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.517 -17.886 -20.499 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.469 -16.768 -21.349 1.00 0.00 H new ATOM 0 HG LEU A 16 14.909 -17.917 -18.604 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.450 -15.663 -17.784 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.846 -16.431 -18.577 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.914 -15.179 -19.433 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.165 -16.182 -18.515 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.544 -15.722 -20.192 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.881 -17.336 -19.840 1.00 0.00 H new ATOM 237 N ARG A 17 14.644 -19.084 -23.665 1.00 0.00 N ATOM 238 CA ARG A 17 15.227 -19.328 -24.970 1.00 0.00 C ATOM 239 C ARG A 17 16.036 -18.117 -25.440 1.00 0.00 C ATOM 240 O ARG A 17 17.177 -18.250 -25.874 1.00 0.00 O ATOM 241 CB ARG A 17 14.158 -19.706 -26.000 1.00 0.00 C ATOM 242 CG ARG A 17 14.726 -20.060 -27.371 1.00 0.00 C ATOM 243 CD ARG A 17 15.570 -21.324 -27.296 1.00 0.00 C ATOM 244 NE ARG A 17 16.153 -21.692 -28.587 1.00 0.00 N ATOM 245 CZ ARG A 17 15.731 -22.705 -29.354 1.00 0.00 C ATOM 246 NH1 ARG A 17 14.673 -23.413 -28.999 1.00 0.00 N ATOM 247 NH2 ARG A 17 16.370 -22.998 -30.483 1.00 0.00 N ATOM 0 H ARG A 17 13.644 -18.885 -23.668 1.00 0.00 H new ATOM 0 HA ARG A 17 15.906 -20.175 -24.875 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.587 -20.554 -25.623 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.461 -18.875 -26.109 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.912 -20.203 -28.081 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.332 -19.234 -27.743 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.369 -21.180 -26.569 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.954 -22.146 -26.933 1.00 0.00 H new ATOM 0 HE ARG A 17 16.938 -21.136 -28.927 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.175 -23.188 -28.138 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.355 -24.184 -29.586 1.00 0.00 H new ATOM 0 HH21 ARG A 17 17.183 -22.451 -30.766 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.047 -23.770 -31.066 1.00 0.00 H new ATOM 261 N GLU A 18 15.443 -16.932 -25.325 1.00 0.00 N ATOM 262 CA GLU A 18 16.098 -15.711 -25.787 1.00 0.00 C ATOM 263 C GLU A 18 16.434 -14.777 -24.630 1.00 0.00 C ATOM 264 O GLU A 18 17.243 -13.866 -24.777 1.00 0.00 O ATOM 265 CB GLU A 18 15.202 -14.998 -26.794 1.00 0.00 C ATOM 266 CG GLU A 18 14.948 -15.817 -28.044 1.00 0.00 C ATOM 267 CD GLU A 18 16.197 -16.075 -28.835 1.00 0.00 C ATOM 268 OE1 GLU A 18 16.753 -15.124 -29.404 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.615 -17.238 -28.935 1.00 0.00 O ATOM 0 H GLU A 18 14.518 -16.791 -24.919 1.00 0.00 H new ATOM 0 HA GLU A 18 17.037 -15.992 -26.264 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.249 -14.762 -26.321 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.662 -14.050 -27.074 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.498 -16.769 -27.763 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.226 -15.296 -28.673 1.00 0.00 H new ATOM 276 N ALA A 19 15.806 -15.028 -23.483 1.00 0.00 N ATOM 277 CA ALA A 19 16.017 -14.263 -22.252 1.00 0.00 C ATOM 278 C ALA A 19 15.883 -12.752 -22.457 1.00 0.00 C ATOM 279 O ALA A 19 16.815 -11.997 -22.183 1.00 0.00 O ATOM 280 CB ALA A 19 17.365 -14.609 -21.634 1.00 0.00 C ATOM 0 H ALA A 19 15.125 -15.780 -23.379 1.00 0.00 H new ATOM 0 HA ALA A 19 15.224 -14.551 -21.562 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.505 -14.032 -20.720 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.395 -15.673 -21.399 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.161 -14.371 -22.340 1.00 0.00 H new ATOM 286 N VAL A 20 14.733 -12.306 -22.919 1.00 0.00 N ATOM 287 CA VAL A 20 14.532 -10.885 -23.106 1.00 0.00 C ATOM 288 C VAL A 20 14.072 -10.237 -21.806 1.00 0.00 C ATOM 289 O VAL A 20 13.027 -10.575 -21.259 1.00 0.00 O ATOM 290 CB VAL A 20 13.576 -10.550 -24.288 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.207 -10.968 -25.606 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.217 -11.219 -24.123 1.00 0.00 C ATOM 0 H VAL A 20 13.938 -12.894 -23.168 1.00 0.00 H new ATOM 0 HA VAL A 20 15.497 -10.461 -23.383 1.00 0.00 H new ATOM 0 HB VAL A 20 13.417 -9.472 -24.288 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.530 -10.729 -26.426 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.147 -10.434 -25.745 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.398 -12.041 -25.594 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.579 -10.960 -24.968 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.346 -12.301 -24.084 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.752 -10.875 -23.199 1.00 0.00 H new ATOM 302 N GLN A 21 14.905 -9.358 -21.288 1.00 0.00 N ATOM 303 CA GLN A 21 14.647 -8.687 -20.026 1.00 0.00 C ATOM 304 C GLN A 21 13.704 -7.502 -20.222 1.00 0.00 C ATOM 305 O GLN A 21 13.860 -6.721 -21.169 1.00 0.00 O ATOM 306 CB GLN A 21 15.969 -8.226 -19.411 1.00 0.00 C ATOM 307 CG GLN A 21 15.866 -7.625 -18.025 1.00 0.00 C ATOM 308 CD GLN A 21 17.208 -7.122 -17.520 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.056 -6.671 -18.299 1.00 0.00 O ATOM 310 NE2 GLN A 21 17.417 -7.210 -16.227 1.00 0.00 N ATOM 0 H GLN A 21 15.783 -9.086 -21.730 1.00 0.00 H new ATOM 0 HA GLN A 21 14.163 -9.389 -19.347 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.648 -9.078 -19.370 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.422 -7.490 -20.075 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.152 -6.801 -18.040 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.476 -8.372 -17.334 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.692 -7.588 -15.618 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.305 -6.900 -15.832 1.00 0.00 H new ATOM 319 N THR A 22 12.737 -7.385 -19.345 1.00 0.00 N ATOM 320 CA THR A 22 11.807 -6.284 -19.349 1.00 0.00 C ATOM 321 C THR A 22 12.270 -5.213 -18.345 1.00 0.00 C ATOM 322 O THR A 22 13.026 -5.527 -17.412 1.00 0.00 O ATOM 323 CB THR A 22 10.406 -6.793 -18.966 1.00 0.00 C ATOM 324 OG1 THR A 22 10.497 -7.554 -17.756 1.00 0.00 O ATOM 325 CG2 THR A 22 9.838 -7.673 -20.067 1.00 0.00 C ATOM 0 H THR A 22 12.572 -8.061 -18.599 1.00 0.00 H new ATOM 0 HA THR A 22 11.768 -5.844 -20.346 1.00 0.00 H new ATOM 0 HB THR A 22 9.747 -5.936 -18.825 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.723 -7.359 -17.188 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.847 -8.023 -19.778 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.765 -7.099 -20.990 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.494 -8.529 -20.223 1.00 0.00 H new ATOM 333 N PRO A 23 11.823 -3.944 -18.501 1.00 0.00 N ATOM 334 CA PRO A 23 12.250 -2.831 -17.629 1.00 0.00 C ATOM 335 C PRO A 23 11.837 -3.028 -16.164 1.00 0.00 C ATOM 336 O PRO A 23 12.437 -2.463 -15.254 1.00 0.00 O ATOM 337 CB PRO A 23 11.533 -1.614 -18.231 1.00 0.00 C ATOM 338 CG PRO A 23 10.382 -2.187 -18.979 1.00 0.00 C ATOM 339 CD PRO A 23 10.881 -3.484 -19.537 1.00 0.00 C ATOM 0 HA PRO A 23 13.335 -2.736 -17.599 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.198 -0.927 -17.454 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.194 -1.051 -18.891 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.526 -2.344 -18.323 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.056 -1.516 -19.774 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.071 -4.196 -19.692 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.374 -3.347 -20.500 1.00 0.00 H new ATOM 347 N CYS A 24 10.811 -3.833 -15.948 1.00 0.00 N ATOM 348 CA CYS A 24 10.338 -4.129 -14.614 1.00 0.00 C ATOM 349 C CYS A 24 11.307 -5.050 -13.871 1.00 0.00 C ATOM 350 O CYS A 24 11.408 -5.001 -12.642 1.00 0.00 O ATOM 351 CB CYS A 24 8.955 -4.745 -14.695 1.00 0.00 C ATOM 352 SG CYS A 24 8.825 -6.083 -15.918 1.00 0.00 S ATOM 0 H CYS A 24 10.287 -4.296 -16.691 1.00 0.00 H new ATOM 0 HA CYS A 24 10.282 -3.200 -14.047 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.681 -5.133 -13.714 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.234 -3.966 -14.943 1.00 0.00 H new ATOM 357 N GLY A 25 12.031 -5.866 -14.623 1.00 0.00 N ATOM 358 CA GLY A 25 12.976 -6.786 -14.023 1.00 0.00 C ATOM 359 C GLY A 25 12.566 -8.229 -14.195 1.00 0.00 C ATOM 360 O GLY A 25 12.683 -9.033 -13.263 1.00 0.00 O ATOM 0 H GLY A 25 11.981 -5.908 -15.641 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.959 -6.635 -14.470 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.071 -6.563 -12.960 1.00 0.00 H new ATOM 364 N HIS A 26 12.064 -8.559 -15.371 1.00 0.00 N ATOM 365 CA HIS A 26 11.662 -9.921 -15.686 1.00 0.00 C ATOM 366 C HIS A 26 12.317 -10.391 -16.963 1.00 0.00 C ATOM 367 O HIS A 26 12.789 -9.586 -17.756 1.00 0.00 O ATOM 368 CB HIS A 26 10.135 -10.061 -15.792 1.00 0.00 C ATOM 369 CG HIS A 26 9.419 -9.902 -14.492 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.731 -8.754 -14.130 1.00 0.00 N ATOM 371 CD2 HIS A 26 9.300 -10.757 -13.452 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.229 -8.923 -12.912 1.00 0.00 C ATOM 373 NE2 HIS A 26 8.559 -10.128 -12.487 1.00 0.00 N ATOM 0 H HIS A 26 11.923 -7.895 -16.133 1.00 0.00 H new ATOM 0 HA HIS A 26 11.996 -10.551 -14.862 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.760 -9.317 -16.495 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.898 -11.040 -16.208 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.627 -7.917 -14.704 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.713 -11.753 -13.393 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.649 -8.197 -12.362 1.00 0.00 H new ATOM 380 N ARG A 27 12.356 -11.687 -17.146 1.00 0.00 N ATOM 381 CA ARG A 27 12.925 -12.291 -18.333 1.00 0.00 C ATOM 382 C ARG A 27 11.904 -13.215 -18.967 1.00 0.00 C ATOM 383 O ARG A 27 11.222 -13.957 -18.268 1.00 0.00 O ATOM 384 CB ARG A 27 14.169 -13.088 -17.952 1.00 0.00 C ATOM 385 CG ARG A 27 15.360 -12.255 -17.504 1.00 0.00 C ATOM 386 CD ARG A 27 16.168 -11.730 -18.676 1.00 0.00 C ATOM 387 NE ARG A 27 17.398 -11.091 -18.208 1.00 0.00 N ATOM 388 CZ ARG A 27 18.393 -10.632 -18.977 1.00 0.00 C ATOM 389 NH1 ARG A 27 18.353 -10.768 -20.299 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.436 -10.053 -18.413 1.00 0.00 N ATOM 0 H ARG A 27 11.992 -12.361 -16.472 1.00 0.00 H new ATOM 0 HA ARG A 27 13.199 -11.511 -19.043 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.907 -13.779 -17.150 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.470 -13.692 -18.808 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.009 -11.416 -16.903 1.00 0.00 H new ATOM 0 HG3 ARG A 27 16.003 -12.859 -16.864 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.412 -12.549 -19.353 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.573 -11.014 -19.243 1.00 0.00 H new ATOM 0 HE ARG A 27 17.508 -10.985 -17.199 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.556 -11.227 -20.741 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.119 -10.413 -20.872 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.480 -9.958 -17.398 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.198 -9.701 -18.992 1.00 0.00 H new ATOM 404 N PHE A 28 11.793 -13.149 -20.274 1.00 0.00 N ATOM 405 CA PHE A 28 10.851 -13.967 -21.017 1.00 0.00 C ATOM 406 C PHE A 28 11.510 -14.505 -22.277 1.00 0.00 C ATOM 407 O PHE A 28 12.587 -14.041 -22.674 1.00 0.00 O ATOM 408 CB PHE A 28 9.610 -13.153 -21.408 1.00 0.00 C ATOM 409 CG PHE A 28 8.825 -12.586 -20.252 1.00 0.00 C ATOM 410 CD1 PHE A 28 7.834 -13.332 -19.637 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.077 -11.303 -19.790 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.108 -12.812 -18.584 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.356 -10.776 -18.739 1.00 0.00 C ATOM 414 CZ PHE A 28 7.369 -11.531 -18.135 1.00 0.00 C ATOM 0 H PHE A 28 12.353 -12.527 -20.857 1.00 0.00 H new ATOM 0 HA PHE A 28 10.545 -14.795 -20.377 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.922 -12.331 -22.053 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.950 -13.788 -21.998 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.626 -14.333 -19.985 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.847 -10.709 -20.259 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.338 -13.405 -18.112 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.562 -9.775 -18.389 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.802 -11.121 -17.313 1.00 0.00 H new ATOM 424 N CYS A 29 10.900 -15.501 -22.885 1.00 0.00 N ATOM 425 CA CYS A 29 11.351 -15.984 -24.176 1.00 0.00 C ATOM 426 C CYS A 29 10.713 -15.133 -25.279 1.00 0.00 C ATOM 427 O CYS A 29 9.653 -14.525 -25.068 1.00 0.00 O ATOM 428 CB CYS A 29 10.964 -17.444 -24.357 1.00 0.00 C ATOM 429 SG CYS A 29 11.360 -18.516 -22.934 1.00 0.00 S ATOM 0 H CYS A 29 10.090 -15.993 -22.507 1.00 0.00 H new ATOM 0 HA CYS A 29 12.437 -15.905 -24.233 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.893 -17.501 -24.551 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.470 -17.834 -25.241 1.00 0.00 H new ATOM 434 N LYS A 30 11.334 -15.112 -26.452 1.00 0.00 N ATOM 435 CA LYS A 30 10.901 -14.245 -27.552 1.00 0.00 C ATOM 436 C LYS A 30 9.547 -14.676 -28.126 1.00 0.00 C ATOM 437 O LYS A 30 8.883 -13.908 -28.808 1.00 0.00 O ATOM 438 CB LYS A 30 11.947 -14.263 -28.676 1.00 0.00 C ATOM 439 CG LYS A 30 11.607 -13.372 -29.857 1.00 0.00 C ATOM 440 CD LYS A 30 12.629 -13.483 -30.961 1.00 0.00 C ATOM 441 CE LYS A 30 12.272 -12.574 -32.118 1.00 0.00 C ATOM 442 NZ LYS A 30 13.244 -12.677 -33.224 1.00 0.00 N ATOM 0 H LYS A 30 12.146 -15.689 -26.671 1.00 0.00 H new ATOM 0 HA LYS A 30 10.795 -13.239 -27.147 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.909 -13.954 -28.267 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.066 -15.287 -29.030 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.624 -13.642 -30.244 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.544 -12.336 -29.524 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.615 -13.221 -30.578 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.686 -14.515 -31.308 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.278 -12.828 -32.485 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.229 -11.542 -31.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.334 -11.754 -33.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.169 -12.965 -32.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.914 -13.385 -33.911 1.00 0.00 H new ATOM 456 N ALA A 31 9.114 -15.867 -27.814 1.00 0.00 N ATOM 457 CA ALA A 31 7.870 -16.357 -28.382 1.00 0.00 C ATOM 458 C ALA A 31 6.835 -16.515 -27.305 1.00 0.00 C ATOM 459 O ALA A 31 5.688 -16.881 -27.569 1.00 0.00 O ATOM 460 CB ALA A 31 8.090 -17.666 -29.124 1.00 0.00 C ATOM 0 H ALA A 31 9.588 -16.512 -27.182 1.00 0.00 H new ATOM 0 HA ALA A 31 7.507 -15.625 -29.104 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.144 -18.012 -29.540 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.806 -17.511 -29.931 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.478 -18.415 -28.434 1.00 0.00 H new ATOM 466 N CYS A 32 7.240 -16.218 -26.089 1.00 0.00 N ATOM 467 CA CYS A 32 6.332 -16.206 -24.980 1.00 0.00 C ATOM 468 C CYS A 32 5.818 -14.793 -24.747 1.00 0.00 C ATOM 469 O CYS A 32 4.610 -14.549 -24.743 1.00 0.00 O ATOM 470 CB CYS A 32 7.033 -16.732 -23.732 1.00 0.00 C ATOM 471 SG CYS A 32 7.832 -18.349 -23.966 1.00 0.00 S ATOM 0 H CYS A 32 8.203 -15.981 -25.850 1.00 0.00 H new ATOM 0 HA CYS A 32 5.483 -16.853 -25.202 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.784 -16.008 -23.416 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.306 -16.810 -22.924 1.00 0.00 H new ATOM 476 N ILE A 33 6.747 -13.849 -24.590 1.00 0.00 N ATOM 477 CA ILE A 33 6.376 -12.473 -24.298 1.00 0.00 C ATOM 478 C ILE A 33 5.677 -11.802 -25.487 1.00 0.00 C ATOM 479 O ILE A 33 4.674 -11.110 -25.317 1.00 0.00 O ATOM 480 CB ILE A 33 7.577 -11.617 -23.799 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.106 -10.259 -23.273 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.635 -11.438 -24.879 1.00 0.00 C ATOM 483 CD1 ILE A 33 6.194 -10.348 -22.067 1.00 0.00 C ATOM 0 H ILE A 33 7.751 -14.014 -24.660 1.00 0.00 H new ATOM 0 HA ILE A 33 5.661 -12.525 -23.477 1.00 0.00 H new ATOM 0 HB ILE A 33 8.038 -12.163 -22.976 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.978 -9.659 -23.013 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.584 -9.732 -24.072 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.455 -10.835 -24.489 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.015 -12.414 -25.182 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.194 -10.937 -25.741 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.904 -9.345 -21.755 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.302 -10.919 -22.326 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.718 -10.845 -21.250 1.00 0.00 H new ATOM 495 N ILE A 34 6.178 -12.051 -26.696 1.00 0.00 N ATOM 496 CA ILE A 34 5.589 -11.475 -27.894 1.00 0.00 C ATOM 497 C ILE A 34 4.164 -11.976 -28.087 1.00 0.00 C ATOM 498 O ILE A 34 3.247 -11.194 -28.345 1.00 0.00 O ATOM 499 CB ILE A 34 6.449 -11.669 -29.167 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.745 -10.852 -29.045 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.679 -11.243 -30.408 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.731 -11.077 -30.175 1.00 0.00 C ATOM 0 H ILE A 34 6.988 -12.647 -26.867 1.00 0.00 H new ATOM 0 HA ILE A 34 5.558 -10.397 -27.736 1.00 0.00 H new ATOM 0 HB ILE A 34 6.695 -12.726 -29.264 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.491 -9.793 -29.005 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.230 -11.099 -28.100 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.302 -11.388 -31.290 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.775 -11.845 -30.500 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.407 -10.191 -30.324 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.617 -10.463 -30.012 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.018 -12.128 -30.204 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.268 -10.801 -31.122 1.00 0.00 H new ATOM 514 N LYS A 35 3.964 -13.263 -27.866 1.00 0.00 N ATOM 515 CA LYS A 35 2.663 -13.885 -28.053 1.00 0.00 C ATOM 516 C LYS A 35 1.748 -13.554 -26.859 1.00 0.00 C ATOM 517 O LYS A 35 0.585 -13.925 -26.827 1.00 0.00 O ATOM 518 CB LYS A 35 2.838 -15.410 -28.227 1.00 0.00 C ATOM 519 CG LYS A 35 1.551 -16.219 -28.393 1.00 0.00 C ATOM 520 CD LYS A 35 0.796 -15.843 -29.656 1.00 0.00 C ATOM 521 CE LYS A 35 -0.426 -16.731 -29.854 1.00 0.00 C ATOM 522 NZ LYS A 35 -1.457 -16.526 -28.800 1.00 0.00 N ATOM 0 H LYS A 35 4.693 -13.904 -27.554 1.00 0.00 H new ATOM 0 HA LYS A 35 2.192 -13.493 -28.954 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.469 -15.586 -29.098 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.376 -15.795 -27.361 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.793 -17.282 -28.419 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.909 -16.059 -27.527 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.485 -14.800 -29.600 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.457 -15.933 -30.518 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.864 -16.527 -30.831 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.115 -17.776 -29.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.888 -17.440 -28.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.012 -16.114 -27.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.192 -15.881 -29.154 1.00 0.00 H new ATOM 536 N SER A 36 2.274 -12.822 -25.899 1.00 0.00 N ATOM 537 CA SER A 36 1.469 -12.362 -24.797 1.00 0.00 C ATOM 538 C SER A 36 1.179 -10.858 -24.950 1.00 0.00 C ATOM 539 O SER A 36 0.213 -10.343 -24.389 1.00 0.00 O ATOM 540 CB SER A 36 2.177 -12.652 -23.462 1.00 0.00 C ATOM 541 OG SER A 36 1.305 -12.475 -22.353 1.00 0.00 O ATOM 0 H SER A 36 3.252 -12.536 -25.863 1.00 0.00 H new ATOM 0 HA SER A 36 0.520 -12.898 -24.800 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.557 -13.674 -23.466 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.038 -11.992 -23.356 1.00 0.00 H new ATOM 0 HG SER A 36 1.349 -13.264 -21.773 1.00 0.00 H new ATOM 547 N ILE A 37 1.986 -10.156 -25.749 1.00 0.00 N ATOM 548 CA ILE A 37 1.806 -8.713 -25.884 1.00 0.00 C ATOM 549 C ILE A 37 1.135 -8.330 -27.198 1.00 0.00 C ATOM 550 O ILE A 37 0.658 -7.205 -27.351 1.00 0.00 O ATOM 551 CB ILE A 37 3.127 -7.920 -25.714 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.156 -8.340 -26.768 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.687 -8.106 -24.307 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.436 -7.529 -26.740 1.00 0.00 C ATOM 0 H ILE A 37 2.750 -10.551 -26.298 1.00 0.00 H new ATOM 0 HA ILE A 37 1.142 -8.434 -25.066 1.00 0.00 H new ATOM 0 HB ILE A 37 2.909 -6.862 -25.859 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.402 -9.392 -26.622 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.705 -8.253 -27.756 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.614 -7.542 -24.207 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.963 -7.746 -23.577 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.885 -9.163 -24.131 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.112 -7.889 -27.516 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.205 -6.479 -26.918 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.913 -7.636 -25.766 1.00 0.00 H new ATOM 566 N ARG A 38 1.091 -9.257 -28.145 1.00 0.00 N ATOM 567 CA ARG A 38 0.336 -9.026 -29.377 1.00 0.00 C ATOM 568 C ARG A 38 -0.964 -9.818 -29.362 1.00 0.00 C ATOM 569 O ARG A 38 -1.742 -9.788 -30.313 1.00 0.00 O ATOM 570 CB ARG A 38 1.162 -9.350 -30.632 1.00 0.00 C ATOM 571 CG ARG A 38 1.534 -10.813 -30.800 1.00 0.00 C ATOM 572 CD ARG A 38 2.326 -11.037 -32.079 1.00 0.00 C ATOM 573 NE ARG A 38 1.529 -10.787 -33.288 1.00 0.00 N ATOM 574 CZ ARG A 38 2.040 -10.666 -34.523 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.354 -10.710 -34.713 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.235 -10.473 -35.564 1.00 0.00 N ATOM 0 H ARG A 38 1.559 -10.162 -28.090 1.00 0.00 H new ATOM 0 HA ARG A 38 0.098 -7.963 -29.419 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.600 -9.031 -31.510 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.078 -8.759 -30.608 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.122 -11.142 -29.943 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.629 -11.421 -30.818 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.198 -10.383 -32.081 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.696 -12.062 -32.098 1.00 0.00 H new ATOM 0 HE ARG A 38 0.518 -10.699 -33.181 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.980 -10.836 -33.918 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.737 -10.617 -35.654 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.226 -10.417 -35.425 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.627 -10.381 -36.501 1.00 0.00 H new ATOM 590 N ASP A 39 -1.187 -10.536 -28.275 1.00 0.00 N ATOM 591 CA ASP A 39 -2.380 -11.362 -28.138 1.00 0.00 C ATOM 592 C ASP A 39 -3.239 -10.871 -26.980 1.00 0.00 C ATOM 593 O ASP A 39 -4.451 -10.665 -27.127 1.00 0.00 O ATOM 594 CB ASP A 39 -1.984 -12.819 -27.924 1.00 0.00 C ATOM 595 CG ASP A 39 -3.151 -13.773 -27.924 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.796 -13.938 -26.872 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.404 -14.404 -28.972 1.00 0.00 O ATOM 0 H ASP A 39 -0.559 -10.566 -27.472 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.965 -11.287 -29.055 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.285 -13.115 -28.707 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.455 -12.906 -26.975 1.00 0.00 H new ATOM 602 N ALA A 40 -2.609 -10.679 -25.830 1.00 0.00 N ATOM 603 CA ALA A 40 -3.301 -10.168 -24.659 1.00 0.00 C ATOM 604 C ALA A 40 -3.249 -8.643 -24.630 1.00 0.00 C ATOM 605 O ALA A 40 -4.277 -7.977 -24.742 1.00 0.00 O ATOM 606 CB ALA A 40 -2.715 -10.755 -23.384 1.00 0.00 C ATOM 0 H ALA A 40 -1.618 -10.870 -25.684 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.346 -10.473 -24.719 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.249 -10.357 -22.521 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.814 -11.840 -23.404 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.661 -10.489 -23.312 1.00 0.00 H new ATOM 612 N GLY A 41 -2.059 -8.096 -24.462 1.00 0.00 N ATOM 613 CA GLY A 41 -1.892 -6.656 -24.458 1.00 0.00 C ATOM 614 C GLY A 41 -0.441 -6.280 -24.302 1.00 0.00 C ATOM 615 O GLY A 41 0.362 -7.108 -23.861 1.00 0.00 O ATOM 0 H GLY A 41 -1.198 -8.625 -24.327 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.281 -6.239 -25.387 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.473 -6.221 -23.645 1.00 0.00 H new ATOM 619 N HIS A 42 -0.093 -5.037 -24.642 1.00 0.00 N ATOM 620 CA HIS A 42 1.289 -4.575 -24.522 1.00 0.00 C ATOM 621 C HIS A 42 1.645 -4.280 -23.076 1.00 0.00 C ATOM 622 O HIS A 42 1.581 -3.133 -22.620 1.00 0.00 O ATOM 623 CB HIS A 42 1.579 -3.355 -25.411 1.00 0.00 C ATOM 624 CG HIS A 42 1.693 -3.658 -26.880 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.718 -3.347 -27.802 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.700 -4.229 -27.588 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.119 -3.714 -29.006 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.317 -4.250 -28.904 1.00 0.00 N ATOM 0 H HIS A 42 -0.744 -4.338 -25.000 1.00 0.00 H new ATOM 0 HA HIS A 42 1.921 -5.389 -24.876 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.786 -2.621 -25.266 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.507 -2.892 -25.077 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.632 -4.599 -27.188 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.558 -3.594 -29.921 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.870 -4.620 -29.677 1.00 0.00 H new ATOM 637 N LYS A 43 1.977 -5.334 -22.359 1.00 0.00 N ATOM 638 CA LYS A 43 2.361 -5.281 -20.963 1.00 0.00 C ATOM 639 C LYS A 43 2.817 -6.669 -20.543 1.00 0.00 C ATOM 640 O LYS A 43 2.424 -7.660 -21.171 1.00 0.00 O ATOM 641 CB LYS A 43 1.168 -4.824 -20.094 1.00 0.00 C ATOM 642 CG LYS A 43 -0.022 -5.781 -20.098 1.00 0.00 C ATOM 643 CD LYS A 43 -1.157 -5.278 -19.215 1.00 0.00 C ATOM 644 CE LYS A 43 -1.841 -4.057 -19.817 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.987 -3.599 -18.994 1.00 0.00 N ATOM 0 H LYS A 43 1.987 -6.279 -22.743 1.00 0.00 H new ATOM 0 HA LYS A 43 3.170 -4.563 -20.826 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.511 -4.695 -19.067 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.834 -3.847 -20.443 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.384 -5.906 -21.118 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.300 -6.763 -19.751 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.889 -6.073 -19.075 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.767 -5.027 -18.229 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.118 -3.247 -19.914 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.189 -4.295 -20.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.424 -2.767 -19.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.690 -4.362 -18.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.652 -3.347 -18.042 1.00 0.00 H new ATOM 659 N CYS A 44 3.645 -6.762 -19.519 1.00 0.00 N ATOM 660 CA CYS A 44 4.021 -8.065 -19.011 1.00 0.00 C ATOM 661 C CYS A 44 2.871 -8.635 -18.186 1.00 0.00 C ATOM 662 O CYS A 44 2.377 -7.986 -17.271 1.00 0.00 O ATOM 663 CB CYS A 44 5.335 -8.000 -18.223 1.00 0.00 C ATOM 664 SG CYS A 44 5.435 -6.636 -17.026 1.00 0.00 S ATOM 0 H CYS A 44 4.062 -5.968 -19.032 1.00 0.00 H new ATOM 0 HA CYS A 44 4.207 -8.740 -19.846 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.472 -8.942 -17.692 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.161 -7.908 -18.928 1.00 0.00 H new ATOM 669 N PRO A 45 2.422 -9.852 -18.514 1.00 0.00 N ATOM 670 CA PRO A 45 1.182 -10.421 -17.959 1.00 0.00 C ATOM 671 C PRO A 45 1.188 -10.610 -16.438 1.00 0.00 C ATOM 672 O PRO A 45 0.135 -10.526 -15.799 1.00 0.00 O ATOM 673 CB PRO A 45 1.069 -11.776 -18.669 1.00 0.00 C ATOM 674 CG PRO A 45 2.463 -12.096 -19.081 1.00 0.00 C ATOM 675 CD PRO A 45 3.078 -10.783 -19.448 1.00 0.00 C ATOM 0 HA PRO A 45 0.342 -9.746 -18.125 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.666 -12.540 -18.005 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.403 -11.719 -19.530 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.012 -12.575 -18.270 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.475 -12.786 -19.925 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.160 -10.792 -19.319 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.883 -10.520 -20.488 1.00 0.00 H new ATOM 683 N VAL A 46 2.362 -10.840 -15.863 1.00 0.00 N ATOM 684 CA VAL A 46 2.445 -11.172 -14.446 1.00 0.00 C ATOM 685 C VAL A 46 2.277 -9.942 -13.546 1.00 0.00 C ATOM 686 O VAL A 46 1.377 -9.891 -12.708 1.00 0.00 O ATOM 687 CB VAL A 46 3.774 -11.894 -14.108 1.00 0.00 C ATOM 688 CG1 VAL A 46 3.850 -12.234 -12.626 1.00 0.00 C ATOM 689 CG2 VAL A 46 3.930 -13.148 -14.954 1.00 0.00 C ATOM 0 H VAL A 46 3.259 -10.804 -16.348 1.00 0.00 H new ATOM 0 HA VAL A 46 1.615 -11.849 -14.245 1.00 0.00 H new ATOM 0 HB VAL A 46 4.595 -11.216 -14.340 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.793 -12.740 -12.417 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.792 -11.317 -12.039 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.020 -12.889 -12.360 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.869 -13.642 -14.703 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.099 -13.826 -14.757 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.934 -12.877 -16.010 1.00 0.00 H new ATOM 699 N ASP A 47 3.123 -8.955 -13.731 1.00 0.00 N ATOM 700 CA ASP A 47 3.112 -7.766 -12.884 1.00 0.00 C ATOM 701 C ASP A 47 2.453 -6.580 -13.564 1.00 0.00 C ATOM 702 O ASP A 47 2.430 -5.479 -13.018 1.00 0.00 O ATOM 703 CB ASP A 47 4.535 -7.413 -12.425 1.00 0.00 C ATOM 704 CG ASP A 47 5.526 -7.296 -13.566 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.525 -8.144 -14.480 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.349 -6.379 -13.572 1.00 0.00 O ATOM 0 H ASP A 47 3.834 -8.944 -14.462 1.00 0.00 H new ATOM 0 HA ASP A 47 2.511 -8.003 -12.006 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.509 -6.470 -11.879 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.883 -8.175 -11.728 1.00 0.00 H new ATOM 711 N ASN A 48 1.902 -6.828 -14.748 1.00 0.00 N ATOM 712 CA ASN A 48 1.110 -5.858 -15.523 1.00 0.00 C ATOM 713 C ASN A 48 1.776 -4.490 -15.689 1.00 0.00 C ATOM 714 O ASN A 48 1.126 -3.442 -15.576 1.00 0.00 O ATOM 715 CB ASN A 48 -0.375 -5.756 -15.069 1.00 0.00 C ATOM 716 CG ASN A 48 -0.584 -5.378 -13.608 1.00 0.00 C ATOM 717 OD1 ASN A 48 -0.621 -6.247 -12.724 1.00 0.00 O ATOM 718 ND2 ASN A 48 -0.741 -4.099 -13.343 1.00 0.00 N ATOM 0 H ASN A 48 1.992 -7.731 -15.214 1.00 0.00 H new ATOM 0 HA ASN A 48 1.084 -6.283 -16.526 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.879 -5.019 -15.694 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.861 -6.714 -15.252 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.900 -3.793 -12.383 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.704 -3.414 -14.097 1.00 0.00 H new ATOM 725 N GLU A 49 3.061 -4.503 -15.978 1.00 0.00 N ATOM 726 CA GLU A 49 3.797 -3.282 -16.267 1.00 0.00 C ATOM 727 C GLU A 49 3.744 -3.024 -17.755 1.00 0.00 C ATOM 728 O GLU A 49 3.781 -3.963 -18.544 1.00 0.00 O ATOM 729 CB GLU A 49 5.250 -3.405 -15.815 1.00 0.00 C ATOM 730 CG GLU A 49 5.431 -3.480 -14.313 1.00 0.00 C ATOM 731 CD GLU A 49 5.018 -2.214 -13.617 1.00 0.00 C ATOM 732 OE1 GLU A 49 5.549 -1.134 -13.963 1.00 0.00 O ATOM 733 OE2 GLU A 49 4.175 -2.274 -12.704 1.00 0.00 O ATOM 0 H GLU A 49 3.625 -5.352 -16.020 1.00 0.00 H new ATOM 0 HA GLU A 49 3.342 -2.453 -15.725 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.685 -4.297 -16.267 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.810 -2.550 -16.195 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.847 -4.313 -13.922 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.476 -3.690 -14.087 1.00 0.00 H new ATOM 740 N ILE A 50 3.640 -1.768 -18.139 1.00 0.00 N ATOM 741 CA ILE A 50 3.508 -1.420 -19.540 1.00 0.00 C ATOM 742 C ILE A 50 4.790 -1.769 -20.283 1.00 0.00 C ATOM 743 O ILE A 50 5.878 -1.274 -19.954 1.00 0.00 O ATOM 744 CB ILE A 50 3.138 0.089 -19.764 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.740 0.437 -19.195 1.00 0.00 C ATOM 746 CG2 ILE A 50 3.184 0.440 -21.251 1.00 0.00 C ATOM 747 CD1 ILE A 50 1.639 0.455 -17.679 1.00 0.00 C ATOM 0 H ILE A 50 3.644 -0.972 -17.502 1.00 0.00 H new ATOM 0 HA ILE A 50 2.679 -2.005 -19.939 1.00 0.00 H new ATOM 0 HB ILE A 50 3.879 0.679 -19.225 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.446 1.416 -19.573 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.019 -0.284 -19.582 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.924 1.490 -21.385 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.188 0.262 -21.636 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.472 -0.182 -21.794 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.621 0.709 -17.385 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.895 -0.529 -17.286 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.328 1.197 -17.277 1.00 0.00 H new ATOM 759 N LEU A 51 4.658 -2.624 -21.269 1.00 0.00 N ATOM 760 CA LEU A 51 5.789 -3.095 -22.022 1.00 0.00 C ATOM 761 C LEU A 51 5.581 -2.829 -23.496 1.00 0.00 C ATOM 762 O LEU A 51 4.533 -3.151 -24.054 1.00 0.00 O ATOM 763 CB LEU A 51 6.004 -4.587 -21.774 1.00 0.00 C ATOM 764 CG LEU A 51 7.147 -5.246 -22.542 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.487 -4.693 -22.094 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.105 -6.747 -22.363 1.00 0.00 C ATOM 0 H LEU A 51 3.763 -3.011 -21.569 1.00 0.00 H new ATOM 0 HA LEU A 51 6.679 -2.557 -21.694 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.179 -4.734 -20.708 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.080 -5.111 -22.021 1.00 0.00 H new ATOM 0 HG LEU A 51 7.024 -5.019 -23.601 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.286 -5.177 -22.655 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.516 -3.619 -22.275 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.623 -4.885 -21.030 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.926 -7.203 -22.917 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.202 -6.990 -21.305 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.157 -7.132 -22.738 1.00 0.00 H new ATOM 778 N LEU A 52 6.571 -2.250 -24.122 1.00 0.00 N ATOM 779 CA LEU A 52 6.510 -1.971 -25.532 1.00 0.00 C ATOM 780 C LEU A 52 7.438 -2.929 -26.263 1.00 0.00 C ATOM 781 O LEU A 52 8.429 -3.397 -25.692 1.00 0.00 O ATOM 782 CB LEU A 52 6.878 -0.502 -25.847 1.00 0.00 C ATOM 783 CG LEU A 52 6.044 0.609 -25.167 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.549 0.319 -25.236 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.495 0.857 -23.729 1.00 0.00 C ATOM 0 H LEU A 52 7.439 -1.960 -23.671 1.00 0.00 H new ATOM 0 HA LEU A 52 5.485 -2.116 -25.873 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.923 -0.352 -25.574 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.807 -0.362 -26.926 1.00 0.00 H new ATOM 0 HG LEU A 52 6.224 1.526 -25.728 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.999 1.123 -24.747 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.240 0.250 -26.279 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.338 -0.624 -24.731 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.884 1.644 -23.287 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.382 -0.059 -23.149 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.541 1.163 -23.723 1.00 0.00 H new ATOM 797 N GLU A 53 7.123 -3.216 -27.511 1.00 0.00 N ATOM 798 CA GLU A 53 7.846 -4.215 -28.294 1.00 0.00 C ATOM 799 C GLU A 53 9.304 -3.807 -28.517 1.00 0.00 C ATOM 800 O GLU A 53 10.203 -4.643 -28.498 1.00 0.00 O ATOM 801 CB GLU A 53 7.132 -4.444 -29.625 1.00 0.00 C ATOM 802 CG GLU A 53 5.775 -5.103 -29.462 1.00 0.00 C ATOM 803 CD GLU A 53 5.030 -5.267 -30.761 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.446 -6.080 -31.602 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.005 -4.582 -30.944 1.00 0.00 O ATOM 0 H GLU A 53 6.359 -2.766 -28.016 1.00 0.00 H new ATOM 0 HA GLU A 53 7.857 -5.149 -27.733 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.007 -3.488 -30.134 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.758 -5.066 -30.265 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.908 -6.082 -29.002 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.170 -4.508 -28.777 1.00 0.00 H new ATOM 812 N ASN A 54 9.530 -2.517 -28.700 1.00 0.00 N ATOM 813 CA ASN A 54 10.879 -1.987 -28.929 1.00 0.00 C ATOM 814 C ASN A 54 11.748 -2.081 -27.677 1.00 0.00 C ATOM 815 O ASN A 54 12.967 -1.984 -27.761 1.00 0.00 O ATOM 816 CB ASN A 54 10.826 -0.538 -29.414 1.00 0.00 C ATOM 817 CG ASN A 54 10.235 -0.394 -30.800 1.00 0.00 C ATOM 818 OD1 ASN A 54 9.034 -0.176 -30.956 1.00 0.00 O ATOM 819 ND2 ASN A 54 11.063 -0.503 -31.812 1.00 0.00 N ATOM 0 H ASN A 54 8.797 -1.808 -28.696 1.00 0.00 H new ATOM 0 HA ASN A 54 11.332 -2.605 -29.704 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.237 0.052 -28.712 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.834 -0.124 -29.411 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.717 -0.407 -32.767 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.053 -0.684 -31.644 1.00 0.00 H new ATOM 826 N GLN A 55 11.118 -2.257 -26.516 1.00 0.00 N ATOM 827 CA GLN A 55 11.854 -2.354 -25.250 1.00 0.00 C ATOM 828 C GLN A 55 12.672 -3.636 -25.178 1.00 0.00 C ATOM 829 O GLN A 55 13.680 -3.706 -24.468 1.00 0.00 O ATOM 830 CB GLN A 55 10.919 -2.257 -24.042 1.00 0.00 C ATOM 831 CG GLN A 55 10.185 -0.934 -23.932 1.00 0.00 C ATOM 832 CD GLN A 55 11.129 0.243 -23.806 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.539 0.826 -24.804 1.00 0.00 O ATOM 834 NE2 GLN A 55 11.480 0.593 -22.592 1.00 0.00 N ATOM 0 H GLN A 55 10.105 -2.335 -26.423 1.00 0.00 H new ATOM 0 HA GLN A 55 12.538 -1.506 -25.219 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.187 -3.063 -24.097 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.500 -2.415 -23.133 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.554 -0.798 -24.811 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.524 -0.960 -23.066 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.116 0.081 -21.788 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.117 1.377 -22.451 1.00 0.00 H new ATOM 843 N LEU A 56 12.239 -4.643 -25.908 1.00 0.00 N ATOM 844 CA LEU A 56 12.909 -5.927 -25.907 1.00 0.00 C ATOM 845 C LEU A 56 14.250 -5.813 -26.623 1.00 0.00 C ATOM 846 O LEU A 56 14.403 -5.004 -27.537 1.00 0.00 O ATOM 847 CB LEU A 56 12.033 -6.991 -26.574 1.00 0.00 C ATOM 848 CG LEU A 56 10.660 -7.234 -25.932 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.878 -8.276 -26.716 1.00 0.00 C ATOM 850 CD2 LEU A 56 10.800 -7.652 -24.472 1.00 0.00 C ATOM 0 H LEU A 56 11.420 -4.596 -26.514 1.00 0.00 H new ATOM 0 HA LEU A 56 13.086 -6.230 -24.875 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.880 -6.706 -27.615 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.581 -7.933 -26.579 1.00 0.00 H new ATOM 0 HG LEU A 56 10.107 -6.295 -25.960 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.908 -8.434 -26.245 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.732 -7.928 -27.739 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.433 -9.214 -26.728 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.811 -7.817 -24.044 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.380 -8.573 -24.411 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.309 -6.865 -23.916 1.00 0.00 H new ATOM 862 N PHE A 57 15.214 -6.612 -26.188 1.00 0.00 N ATOM 863 CA PHE A 57 16.579 -6.561 -26.716 1.00 0.00 C ATOM 864 C PHE A 57 16.635 -6.865 -28.214 1.00 0.00 C ATOM 865 O PHE A 57 15.712 -7.479 -28.767 1.00 0.00 O ATOM 866 CB PHE A 57 17.490 -7.540 -25.962 1.00 0.00 C ATOM 867 CG PHE A 57 17.740 -7.183 -24.526 1.00 0.00 C ATOM 868 CD1 PHE A 57 18.088 -5.893 -24.166 1.00 0.00 C ATOM 869 CD2 PHE A 57 17.641 -8.143 -23.538 1.00 0.00 C ATOM 870 CE1 PHE A 57 18.330 -5.569 -22.845 1.00 0.00 C ATOM 871 CE2 PHE A 57 17.881 -7.826 -22.217 1.00 0.00 C ATOM 872 CZ PHE A 57 18.224 -6.537 -21.868 1.00 0.00 C ATOM 0 H PHE A 57 15.077 -7.314 -25.461 1.00 0.00 H new ATOM 0 HA PHE A 57 16.933 -5.541 -26.567 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.045 -8.534 -26.003 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.447 -7.597 -26.480 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.171 -5.131 -24.926 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.372 -9.155 -23.803 1.00 0.00 H new ATOM 0 HE1 PHE A 57 18.602 -4.559 -22.577 1.00 0.00 H new ATOM 0 HE2 PHE A 57 17.800 -8.588 -21.456 1.00 0.00 H new ATOM 0 HZ PHE A 57 18.409 -6.286 -20.834 1.00 0.00 H new ATOM 882 N PRO A 58 17.723 -6.434 -28.892 1.00 0.00 N ATOM 883 CA PRO A 58 17.949 -6.740 -30.306 1.00 0.00 C ATOM 884 C PRO A 58 18.028 -8.246 -30.530 1.00 0.00 C ATOM 885 O PRO A 58 18.513 -8.992 -29.669 1.00 0.00 O ATOM 886 CB PRO A 58 19.301 -6.083 -30.605 1.00 0.00 C ATOM 887 CG PRO A 58 19.437 -5.029 -29.571 1.00 0.00 C ATOM 888 CD PRO A 58 18.812 -5.600 -28.343 1.00 0.00 C ATOM 0 HA PRO A 58 17.146 -6.379 -30.949 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.115 -6.805 -30.545 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.323 -5.660 -31.609 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.484 -4.779 -29.400 1.00 0.00 H new ATOM 0 HG3 PRO A 58 18.936 -4.111 -29.877 1.00 0.00 H new ATOM 0 HD2 PRO A 58 19.522 -6.191 -27.764 1.00 0.00 H new ATOM 0 HD3 PRO A 58 18.432 -4.821 -27.682 1.00 0.00 H new ATOM 896 N ASP A 59 17.565 -8.682 -31.679 1.00 0.00 N ATOM 897 CA ASP A 59 17.388 -10.091 -31.947 1.00 0.00 C ATOM 898 C ASP A 59 18.709 -10.772 -32.279 1.00 0.00 C ATOM 899 O ASP A 59 19.325 -10.497 -33.303 1.00 0.00 O ATOM 900 CB ASP A 59 16.403 -10.268 -33.085 1.00 0.00 C ATOM 901 CG ASP A 59 16.071 -11.709 -33.365 1.00 0.00 C ATOM 902 OD1 ASP A 59 15.934 -12.501 -32.402 1.00 0.00 O ATOM 903 OD2 ASP A 59 15.879 -12.056 -34.541 1.00 0.00 O ATOM 0 H ASP A 59 17.301 -8.072 -32.453 1.00 0.00 H new ATOM 0 HA ASP A 59 16.997 -10.564 -31.046 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.485 -9.730 -32.849 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.815 -9.815 -33.987 1.00 0.00 H new ATOM 908 N ASN A 60 19.137 -11.637 -31.381 1.00 0.00 N ATOM 909 CA ASN A 60 20.388 -12.377 -31.496 1.00 0.00 C ATOM 910 C ASN A 60 20.384 -13.353 -32.671 1.00 0.00 C ATOM 911 O ASN A 60 21.377 -13.478 -33.391 1.00 0.00 O ATOM 912 CB ASN A 60 20.663 -13.135 -30.190 1.00 0.00 C ATOM 913 CG ASN A 60 21.937 -13.968 -30.232 1.00 0.00 C ATOM 914 OD1 ASN A 60 23.024 -13.459 -29.992 1.00 0.00 O ATOM 915 ND2 ASN A 60 21.807 -15.249 -30.505 1.00 0.00 N ATOM 0 H ASN A 60 18.617 -11.853 -30.531 1.00 0.00 H new ATOM 0 HA ASN A 60 21.179 -11.651 -31.682 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.732 -12.419 -29.371 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.818 -13.788 -29.972 1.00 0.00 H new ATOM 0 HD21 ASN A 60 22.629 -15.853 -30.521 1.00 0.00 H new ATOM 0 HD22 ASN A 60 20.884 -15.638 -30.700 1.00 0.00 H new ATOM 922 N PHE A 61 19.277 -14.032 -32.875 1.00 0.00 N ATOM 923 CA PHE A 61 19.221 -15.067 -33.884 1.00 0.00 C ATOM 924 C PHE A 61 18.318 -14.663 -35.033 1.00 0.00 C ATOM 925 O PHE A 61 17.100 -14.646 -34.905 1.00 0.00 O ATOM 926 CB PHE A 61 18.752 -16.393 -33.260 1.00 0.00 C ATOM 927 CG PHE A 61 18.637 -17.542 -34.225 1.00 0.00 C ATOM 928 CD1 PHE A 61 19.764 -18.226 -34.649 1.00 0.00 C ATOM 929 CD2 PHE A 61 17.396 -17.941 -34.703 1.00 0.00 C ATOM 930 CE1 PHE A 61 19.660 -19.285 -35.529 1.00 0.00 C ATOM 931 CE2 PHE A 61 17.285 -18.997 -35.582 1.00 0.00 C ATOM 932 CZ PHE A 61 18.417 -19.673 -35.996 1.00 0.00 C ATOM 0 H PHE A 61 18.409 -13.888 -32.360 1.00 0.00 H new ATOM 0 HA PHE A 61 20.224 -15.207 -34.286 1.00 0.00 H new ATOM 0 HB2 PHE A 61 19.447 -16.671 -32.468 1.00 0.00 H new ATOM 0 HB3 PHE A 61 17.781 -16.233 -32.790 1.00 0.00 H new ATOM 0 HD1 PHE A 61 20.737 -17.927 -34.287 1.00 0.00 H new ATOM 0 HD2 PHE A 61 16.507 -17.418 -34.382 1.00 0.00 H new ATOM 0 HE1 PHE A 61 20.547 -19.809 -35.852 1.00 0.00 H new ATOM 0 HE2 PHE A 61 16.314 -19.296 -35.947 1.00 0.00 H new ATOM 0 HZ PHE A 61 18.331 -20.502 -36.683 1.00 0.00 H new ATOM 942 N ALA A 62 18.929 -14.344 -36.148 1.00 0.00 N ATOM 943 CA ALA A 62 18.199 -13.999 -37.344 1.00 0.00 C ATOM 944 C ALA A 62 18.576 -14.950 -38.461 1.00 0.00 C ATOM 945 O ALA A 62 19.669 -14.854 -39.045 1.00 0.00 O ATOM 946 CB ALA A 62 18.478 -12.556 -37.739 1.00 0.00 C ATOM 0 H ALA A 62 19.943 -14.316 -36.252 1.00 0.00 H new ATOM 0 HA ALA A 62 17.130 -14.092 -37.152 1.00 0.00 H new ATOM 0 HB1 ALA A 62 17.920 -12.312 -38.643 1.00 0.00 H new ATOM 0 HB2 ALA A 62 18.170 -11.892 -36.932 1.00 0.00 H new ATOM 0 HB3 ALA A 62 19.544 -12.430 -37.926 1.00 0.00 H new ATOM 952 N LYS A 63 17.699 -15.889 -38.728 1.00 0.00 N ATOM 953 CA LYS A 63 17.927 -16.904 -39.723 1.00 0.00 C ATOM 954 C LYS A 63 16.592 -17.427 -40.221 1.00 0.00 C ATOM 955 O LYS A 63 16.266 -17.221 -41.406 1.00 0.00 O ATOM 956 CB LYS A 63 18.753 -18.053 -39.138 1.00 0.00 C ATOM 957 CG LYS A 63 19.084 -19.143 -40.140 1.00 0.00 C ATOM 958 CD LYS A 63 19.915 -20.243 -39.508 1.00 0.00 C ATOM 959 CE LYS A 63 20.265 -21.318 -40.522 1.00 0.00 C ATOM 960 NZ LYS A 63 19.053 -21.960 -41.096 1.00 0.00 N ATOM 961 OXT LYS A 63 15.850 -18.019 -39.412 1.00 0.00 O ATOM 0 H LYS A 63 16.799 -15.968 -38.255 1.00 0.00 H new ATOM 0 HA LYS A 63 18.483 -16.469 -40.554 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.682 -17.651 -38.733 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.206 -18.493 -38.304 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.161 -19.565 -40.538 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.627 -18.713 -40.982 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.829 -19.819 -39.093 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.365 -20.687 -38.678 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.857 -20.879 -41.325 1.00 0.00 H new ATOM 0 HE3 LYS A 63 20.886 -22.077 -40.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.325 -22.832 -41.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.387 -22.191 -40.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.598 -21.307 -41.766 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.116 -18.815 -22.240 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.894 -7.075 -15.341 1.00 0.00 ZN