USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 686 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 13 GLN : amide:sc= -0.0674 K(o=-0.067,f=-1) USER MOD Single : A 17 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.35) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -31:sc= 0.463 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 35 SER OG : rot 33:sc= 0.0912 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00633 USER MOD Single : A 52 GLN : amide:sc= -0.0999 K(o=-0.1,f=-1.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -1.13! X(o=-1.1!,f=-1.3) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 81:sc= 1.02 USER MOD Single : A 77 TYR OH : rot 36:sc= 0.904 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 43:sc= -0.416 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 13:sc= 0.253 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.543 USER MOD Single : A 97 GLN : amide:sc= -2.61 K(o=-2.6,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 -10.223 30.028 2.860 1.00 0.00 N ATOM 81 CA PRO A 9 -9.160 29.097 2.468 1.00 0.00 C ATOM 82 C PRO A 9 -9.459 28.400 1.145 1.00 0.00 C ATOM 83 O PRO A 9 -10.455 27.688 1.019 1.00 0.00 O ATOM 84 CB PRO A 9 -9.137 28.083 3.614 1.00 0.00 C ATOM 85 CG PRO A 9 -10.510 28.129 4.189 1.00 0.00 C ATOM 86 CD PRO A 9 -10.979 29.548 4.029 1.00 0.00 C ATOM 0 HA PRO A 9 -8.209 29.606 2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.892 27.084 3.254 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.387 28.346 4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.174 27.438 3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.503 27.836 5.239 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.055 29.599 3.860 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.767 30.144 4.917 1.00 0.00 H new ATOM 94 N VAL A 10 -8.590 28.610 0.162 1.00 0.00 N ATOM 95 CA VAL A 10 -8.760 28.000 -1.152 1.00 0.00 C ATOM 96 C VAL A 10 -7.718 26.914 -1.393 1.00 0.00 C ATOM 97 O VAL A 10 -6.515 27.176 -1.364 1.00 0.00 O ATOM 98 CB VAL A 10 -8.661 29.049 -2.275 1.00 0.00 C ATOM 99 CG1 VAL A 10 -7.221 29.504 -2.456 1.00 0.00 C ATOM 100 CG2 VAL A 10 -9.220 28.491 -3.575 1.00 0.00 C ATOM 0 H VAL A 10 -7.761 29.198 0.250 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.755 27.555 -1.168 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.257 29.916 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.171 30.245 -3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.860 29.946 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.599 28.648 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.142 29.245 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.652 27.607 -3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.266 28.220 -3.435 1.00 0.00 H new ATOM 110 N ILE A 11 -8.187 25.693 -1.630 1.00 0.00 N ATOM 111 CA ILE A 11 -7.294 24.568 -1.878 1.00 0.00 C ATOM 112 C ILE A 11 -6.763 24.592 -3.307 1.00 0.00 C ATOM 113 O ILE A 11 -7.446 24.173 -4.241 1.00 0.00 O ATOM 114 CB ILE A 11 -8.003 23.223 -1.628 1.00 0.00 C ATOM 115 CG1 ILE A 11 -8.499 23.144 -0.183 1.00 0.00 C ATOM 116 CG2 ILE A 11 -7.065 22.065 -1.936 1.00 0.00 C ATOM 117 CD1 ILE A 11 -9.713 22.258 -0.009 1.00 0.00 C ATOM 0 H ILE A 11 -9.179 25.458 -1.655 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.461 24.666 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.865 23.154 -2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.693 22.771 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.739 24.148 0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.580 21.122 -1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.756 22.115 -2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.186 22.128 -1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.009 22.249 1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.534 22.642 -0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.472 21.244 -0.327 1.00 0.00 H new ATOM 129 N ARG A 12 -5.538 25.083 -3.468 1.00 0.00 N ATOM 130 CA ARG A 12 -4.914 25.161 -4.783 1.00 0.00 C ATOM 131 C ARG A 12 -4.455 23.783 -5.250 1.00 0.00 C ATOM 132 O ARG A 12 -4.760 23.362 -6.365 1.00 0.00 O ATOM 133 CB ARG A 12 -3.724 26.122 -4.750 1.00 0.00 C ATOM 134 CG ARG A 12 -4.125 27.583 -4.628 1.00 0.00 C ATOM 135 CD ARG A 12 -4.593 28.146 -5.961 1.00 0.00 C ATOM 136 NE ARG A 12 -3.481 28.370 -6.881 1.00 0.00 N ATOM 137 CZ ARG A 12 -2.728 29.464 -6.872 1.00 0.00 C ATOM 138 NH1 ARG A 12 -2.967 30.430 -5.995 1.00 0.00 N ATOM 139 NH2 ARG A 12 -1.734 29.595 -7.741 1.00 0.00 N ATOM 0 H ARG A 12 -4.959 25.432 -2.705 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.656 25.536 -5.488 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.079 25.860 -3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.136 25.990 -5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.921 27.682 -3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.278 28.165 -4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.306 27.458 -6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.119 29.086 -5.793 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.271 27.646 -7.568 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.730 30.334 -5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.387 31.269 -5.990 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.547 28.855 -8.417 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.157 30.436 -7.733 1.00 0.00 H new ATOM 153 N GLN A 13 -3.720 23.086 -4.388 1.00 0.00 N ATOM 154 CA GLN A 13 -3.218 21.757 -4.713 1.00 0.00 C ATOM 155 C GLN A 13 -3.557 20.762 -3.608 1.00 0.00 C ATOM 156 O GLN A 13 -2.942 20.770 -2.542 1.00 0.00 O ATOM 157 CB GLN A 13 -1.705 21.799 -4.932 1.00 0.00 C ATOM 158 CG GLN A 13 -1.203 20.751 -5.912 1.00 0.00 C ATOM 159 CD GLN A 13 -1.552 21.081 -7.350 1.00 0.00 C ATOM 160 OE1 GLN A 13 -1.632 22.250 -7.729 1.00 0.00 O ATOM 161 NE2 GLN A 13 -1.761 20.050 -8.160 1.00 0.00 N ATOM 0 H GLN A 13 -3.460 23.420 -3.460 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.701 21.429 -5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.426 22.788 -5.296 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.204 21.659 -3.974 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.121 20.659 -5.817 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.629 19.782 -5.652 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.684 19.097 -7.803 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.998 20.210 -9.139 1.00 0.00 H new ATOM 170 N GLY A 14 -4.539 19.905 -3.869 1.00 0.00 N ATOM 171 CA GLY A 14 -4.942 18.916 -2.887 1.00 0.00 C ATOM 172 C GLY A 14 -4.715 17.496 -3.366 1.00 0.00 C ATOM 173 O GLY A 14 -3.992 17.253 -4.332 1.00 0.00 O ATOM 0 H GLY A 14 -5.063 19.878 -4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.386 19.078 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.997 19.052 -2.651 1.00 0.00 H new ATOM 177 N PRO A 15 -5.341 16.529 -2.680 1.00 0.00 N ATOM 178 CA PRO A 15 -5.217 15.109 -3.022 1.00 0.00 C ATOM 179 C PRO A 15 -5.915 14.766 -4.334 1.00 0.00 C ATOM 180 O PRO A 15 -6.759 15.522 -4.816 1.00 0.00 O ATOM 181 CB PRO A 15 -5.903 14.400 -1.851 1.00 0.00 C ATOM 182 CG PRO A 15 -6.863 15.403 -1.311 1.00 0.00 C ATOM 183 CD PRO A 15 -6.218 16.746 -1.517 1.00 0.00 C ATOM 0 HA PRO A 15 -4.178 14.814 -3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.417 13.497 -2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.180 14.096 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.820 15.346 -1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.062 15.223 -0.254 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.959 17.522 -1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.652 17.059 -0.640 1.00 0.00 H new ATOM 191 N VAL A 16 -5.559 13.620 -4.907 1.00 0.00 N ATOM 192 CA VAL A 16 -6.152 13.176 -6.162 1.00 0.00 C ATOM 193 C VAL A 16 -6.343 11.664 -6.175 1.00 0.00 C ATOM 194 O VAL A 16 -5.489 10.916 -5.702 1.00 0.00 O ATOM 195 CB VAL A 16 -5.285 13.584 -7.368 1.00 0.00 C ATOM 196 CG1 VAL A 16 -5.211 15.098 -7.486 1.00 0.00 C ATOM 197 CG2 VAL A 16 -3.892 12.982 -7.250 1.00 0.00 C ATOM 0 H VAL A 16 -4.862 12.983 -4.521 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.124 13.662 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.749 13.196 -8.274 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.594 15.366 -8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.214 15.502 -7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.771 15.513 -6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.293 13.280 -8.110 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.418 13.339 -6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.967 11.895 -7.219 1.00 0.00 H new ATOM 207 N ASN A 17 -7.471 11.220 -6.721 1.00 0.00 N ATOM 208 CA ASN A 17 -7.775 9.796 -6.797 1.00 0.00 C ATOM 209 C ASN A 17 -6.533 8.994 -7.174 1.00 0.00 C ATOM 210 O ASN A 17 -5.902 9.255 -8.198 1.00 0.00 O ATOM 211 CB ASN A 17 -8.888 9.544 -7.815 1.00 0.00 C ATOM 212 CG ASN A 17 -8.703 10.352 -9.085 1.00 0.00 C ATOM 213 OD1 ASN A 17 -9.188 11.479 -9.193 1.00 0.00 O ATOM 214 ND2 ASN A 17 -8.000 9.779 -10.055 1.00 0.00 N ATOM 0 H ASN A 17 -8.189 11.826 -7.117 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.112 9.469 -5.813 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.916 8.483 -8.063 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.850 9.792 -7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.844 10.275 -10.933 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.616 8.843 -9.922 1.00 0.00 H new ATOM 221 N GLN A 18 -6.190 8.017 -6.341 1.00 0.00 N ATOM 222 CA GLN A 18 -5.024 7.177 -6.587 1.00 0.00 C ATOM 223 C GLN A 18 -5.369 5.702 -6.410 1.00 0.00 C ATOM 224 O GLN A 18 -6.391 5.358 -5.816 1.00 0.00 O ATOM 225 CB GLN A 18 -3.883 7.563 -5.645 1.00 0.00 C ATOM 226 CG GLN A 18 -3.095 8.778 -6.109 1.00 0.00 C ATOM 227 CD GLN A 18 -1.802 8.963 -5.340 1.00 0.00 C ATOM 228 OE1 GLN A 18 -0.715 8.716 -5.862 1.00 0.00 O ATOM 229 NE2 GLN A 18 -1.913 9.401 -4.091 1.00 0.00 N ATOM 0 H GLN A 18 -6.703 7.788 -5.490 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.704 7.335 -7.617 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.292 7.762 -4.655 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.204 6.716 -5.545 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.871 8.677 -7.171 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.711 9.670 -5.997 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.834 9.593 -3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.077 9.545 -3.525 1.00 0.00 H new ATOM 238 N THR A 19 -4.508 4.832 -6.930 1.00 0.00 N ATOM 239 CA THR A 19 -4.722 3.393 -6.831 1.00 0.00 C ATOM 240 C THR A 19 -3.520 2.701 -6.199 1.00 0.00 C ATOM 241 O THR A 19 -2.387 2.869 -6.650 1.00 0.00 O ATOM 242 CB THR A 19 -4.992 2.769 -8.213 1.00 0.00 C ATOM 243 OG1 THR A 19 -6.069 3.456 -8.859 1.00 0.00 O ATOM 244 CG2 THR A 19 -5.331 1.292 -8.083 1.00 0.00 C ATOM 0 H THR A 19 -3.656 5.099 -7.424 1.00 0.00 H new ATOM 0 HA THR A 19 -5.597 3.246 -6.197 1.00 0.00 H new ATOM 0 HB THR A 19 -4.088 2.866 -8.814 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.233 3.054 -9.738 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.518 0.873 -9.072 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.497 0.767 -7.618 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.222 1.176 -7.466 1.00 0.00 H new ATOM 252 N VAL A 20 -3.774 1.922 -5.153 1.00 0.00 N ATOM 253 CA VAL A 20 -2.712 1.202 -4.460 1.00 0.00 C ATOM 254 C VAL A 20 -3.149 -0.215 -4.106 1.00 0.00 C ATOM 255 O VAL A 20 -4.341 -0.495 -3.979 1.00 0.00 O ATOM 256 CB VAL A 20 -2.287 1.933 -3.172 1.00 0.00 C ATOM 257 CG1 VAL A 20 -1.479 1.007 -2.275 1.00 0.00 C ATOM 258 CG2 VAL A 20 -1.496 3.188 -3.508 1.00 0.00 C ATOM 0 H VAL A 20 -4.706 1.773 -4.767 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.862 1.158 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.185 2.232 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.187 1.540 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.084 0.141 -2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.586 0.676 -2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.204 3.692 -2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.603 2.916 -4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.113 3.857 -4.107 1.00 0.00 H new ATOM 268 N ALA A 21 -2.176 -1.106 -3.948 1.00 0.00 N ATOM 269 CA ALA A 21 -2.460 -2.495 -3.606 1.00 0.00 C ATOM 270 C ALA A 21 -2.452 -2.701 -2.095 1.00 0.00 C ATOM 271 O ALA A 21 -1.847 -1.925 -1.356 1.00 0.00 O ATOM 272 CB ALA A 21 -1.451 -3.419 -4.272 1.00 0.00 C ATOM 0 H ALA A 21 -1.184 -0.891 -4.051 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.457 -2.738 -3.974 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.675 -4.453 -4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.508 -3.300 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.447 -3.167 -3.931 1.00 0.00 H new ATOM 278 N VAL A 22 -3.129 -3.751 -1.643 1.00 0.00 N ATOM 279 CA VAL A 22 -3.200 -4.060 -0.219 1.00 0.00 C ATOM 280 C VAL A 22 -1.830 -3.936 0.438 1.00 0.00 C ATOM 281 O VAL A 22 -0.799 -4.095 -0.216 1.00 0.00 O ATOM 282 CB VAL A 22 -3.746 -5.480 0.021 1.00 0.00 C ATOM 283 CG1 VAL A 22 -3.464 -5.927 1.447 1.00 0.00 C ATOM 284 CG2 VAL A 22 -5.237 -5.534 -0.279 1.00 0.00 C ATOM 0 H VAL A 22 -3.636 -4.403 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.882 -3.337 0.229 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.237 -6.166 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.857 -6.932 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.388 -5.928 1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.944 -5.241 2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.607 -6.544 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.765 -4.837 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.409 -5.260 -1.320 1.00 0.00 H new ATOM 294 N ASP A 23 -1.827 -3.653 1.736 1.00 0.00 N ATOM 295 CA ASP A 23 -0.583 -3.510 2.485 1.00 0.00 C ATOM 296 C ASP A 23 0.471 -2.785 1.653 1.00 0.00 C ATOM 297 O ASP A 23 1.665 -3.052 1.778 1.00 0.00 O ATOM 298 CB ASP A 23 -0.059 -4.882 2.912 1.00 0.00 C ATOM 299 CG ASP A 23 -0.722 -5.386 4.178 1.00 0.00 C ATOM 300 OD1 ASP A 23 -0.210 -5.084 5.277 1.00 0.00 O ATOM 301 OD2 ASP A 23 -1.753 -6.082 4.071 1.00 0.00 O ATOM 0 H ASP A 23 -2.672 -3.518 2.292 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.789 -2.916 3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.227 -5.598 2.108 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.018 -4.824 3.068 1.00 0.00 H new ATOM 306 N GLY A 24 0.019 -1.868 0.803 1.00 0.00 N ATOM 307 CA GLY A 24 0.936 -1.120 -0.037 1.00 0.00 C ATOM 308 C GLY A 24 1.429 0.149 0.629 1.00 0.00 C ATOM 309 O GLY A 24 1.843 0.131 1.789 1.00 0.00 O ATOM 0 H GLY A 24 -0.965 -1.630 0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.789 -1.750 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.440 -0.866 -0.974 1.00 0.00 H new ATOM 313 N THR A 25 1.388 1.256 -0.106 1.00 0.00 N ATOM 314 CA THR A 25 1.838 2.539 0.420 1.00 0.00 C ATOM 315 C THR A 25 1.232 3.697 -0.365 1.00 0.00 C ATOM 316 O THR A 25 1.453 3.827 -1.570 1.00 0.00 O ATOM 317 CB THR A 25 3.373 2.656 0.381 1.00 0.00 C ATOM 318 OG1 THR A 25 3.968 1.455 0.887 1.00 0.00 O ATOM 319 CG2 THR A 25 3.846 3.846 1.202 1.00 0.00 C ATOM 0 H THR A 25 1.048 1.290 -1.067 1.00 0.00 H new ATOM 0 HA THR A 25 1.504 2.590 1.456 1.00 0.00 H new ATOM 0 HB THR A 25 3.678 2.805 -0.655 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.384 1.063 1.570 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.933 3.908 1.159 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.414 4.762 0.798 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.530 3.722 2.238 1.00 0.00 H new ATOM 327 N PHE A 26 0.468 4.538 0.324 1.00 0.00 N ATOM 328 CA PHE A 26 -0.170 5.686 -0.309 1.00 0.00 C ATOM 329 C PHE A 26 -0.100 6.914 0.593 1.00 0.00 C ATOM 330 O PHE A 26 -0.238 6.811 1.812 1.00 0.00 O ATOM 331 CB PHE A 26 -1.629 5.366 -0.642 1.00 0.00 C ATOM 332 CG PHE A 26 -2.511 5.265 0.569 1.00 0.00 C ATOM 333 CD1 PHE A 26 -2.396 4.193 1.439 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.456 6.243 0.838 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.207 4.097 2.554 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.270 6.152 1.952 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.145 5.079 2.811 1.00 0.00 C ATOM 0 H PHE A 26 0.276 4.446 1.321 1.00 0.00 H new ATOM 0 HA PHE A 26 0.367 5.905 -1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.020 6.139 -1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.670 4.425 -1.191 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.664 3.423 1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.558 7.085 0.170 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.108 3.256 3.224 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.003 6.920 2.150 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.779 5.007 3.682 1.00 0.00 H new ATOM 347 N VAL A 27 0.117 8.076 -0.014 1.00 0.00 N ATOM 348 CA VAL A 27 0.206 9.325 0.733 1.00 0.00 C ATOM 349 C VAL A 27 -0.622 10.421 0.072 1.00 0.00 C ATOM 350 O VAL A 27 -0.688 10.511 -1.154 1.00 0.00 O ATOM 351 CB VAL A 27 1.665 9.803 0.856 1.00 0.00 C ATOM 352 CG1 VAL A 27 2.242 10.117 -0.516 1.00 0.00 C ATOM 353 CG2 VAL A 27 1.753 11.016 1.771 1.00 0.00 C ATOM 0 H VAL A 27 0.235 8.179 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.189 9.126 1.729 1.00 0.00 H new ATOM 0 HB VAL A 27 2.256 9.000 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.273 10.453 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.215 9.221 -1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.652 10.902 -0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.791 11.340 1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.149 11.825 1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.382 10.752 2.762 1.00 0.00 H new ATOM 363 N LEU A 28 -1.254 11.254 0.893 1.00 0.00 N ATOM 364 CA LEU A 28 -2.079 12.346 0.388 1.00 0.00 C ATOM 365 C LEU A 28 -1.592 13.688 0.925 1.00 0.00 C ATOM 366 O LEU A 28 -1.305 13.826 2.114 1.00 0.00 O ATOM 367 CB LEU A 28 -3.542 12.128 0.778 1.00 0.00 C ATOM 368 CG LEU A 28 -4.121 10.748 0.464 1.00 0.00 C ATOM 369 CD1 LEU A 28 -5.201 10.381 1.471 1.00 0.00 C ATOM 370 CD2 LEU A 28 -4.676 10.713 -0.952 1.00 0.00 C ATOM 0 H LEU A 28 -1.211 11.194 1.910 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.997 12.359 -0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.643 12.307 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.148 12.878 0.271 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.319 10.013 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.602 9.396 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.774 10.365 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.003 11.118 1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.084 9.724 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.465 11.459 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.878 10.932 -1.661 1.00 0.00 H new ATOM 382 N SER A 29 -1.504 14.677 0.040 1.00 0.00 N ATOM 383 CA SER A 29 -1.051 16.008 0.425 1.00 0.00 C ATOM 384 C SER A 29 -2.154 17.041 0.209 1.00 0.00 C ATOM 385 O SER A 29 -3.066 16.834 -0.592 1.00 0.00 O ATOM 386 CB SER A 29 0.192 16.398 -0.377 1.00 0.00 C ATOM 387 OG SER A 29 -0.135 16.655 -1.732 1.00 0.00 O ATOM 0 H SER A 29 -1.740 14.581 -0.948 1.00 0.00 H new ATOM 0 HA SER A 29 -0.799 15.987 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.650 17.283 0.064 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.929 15.597 -0.323 1.00 0.00 H new ATOM 0 HG SER A 29 0.676 16.904 -2.223 1.00 0.00 H new ATOM 393 N CYS A 30 -2.063 18.153 0.930 1.00 0.00 N ATOM 394 CA CYS A 30 -3.052 19.219 0.819 1.00 0.00 C ATOM 395 C CYS A 30 -2.416 20.580 1.085 1.00 0.00 C ATOM 396 O CYS A 30 -1.762 20.784 2.108 1.00 0.00 O ATOM 397 CB CYS A 30 -4.201 18.981 1.801 1.00 0.00 C ATOM 398 SG CYS A 30 -5.743 19.848 1.365 1.00 0.00 S ATOM 0 H CYS A 30 -1.315 18.340 1.597 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.444 19.213 -0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.402 17.911 1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.887 19.299 2.795 1.00 0.00 H new ATOM 403 N VAL A 31 -2.612 21.510 0.155 1.00 0.00 N ATOM 404 CA VAL A 31 -2.060 22.853 0.289 1.00 0.00 C ATOM 405 C VAL A 31 -3.142 23.913 0.115 1.00 0.00 C ATOM 406 O VAL A 31 -3.737 24.037 -0.955 1.00 0.00 O ATOM 407 CB VAL A 31 -0.941 23.104 -0.740 1.00 0.00 C ATOM 408 CG1 VAL A 31 -0.419 24.528 -0.624 1.00 0.00 C ATOM 409 CG2 VAL A 31 0.186 22.099 -0.558 1.00 0.00 C ATOM 0 H VAL A 31 -3.149 21.358 -0.699 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.644 22.925 1.294 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.355 22.974 -1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.371 24.687 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.232 25.230 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.021 24.689 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.967 22.291 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.600 22.195 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.201 21.089 -0.696 1.00 0.00 H new ATOM 419 N ALA A 32 -3.392 24.674 1.175 1.00 0.00 N ATOM 420 CA ALA A 32 -4.401 25.725 1.139 1.00 0.00 C ATOM 421 C ALA A 32 -3.830 27.052 1.627 1.00 0.00 C ATOM 422 O ALA A 32 -2.823 27.084 2.336 1.00 0.00 O ATOM 423 CB ALA A 32 -5.607 25.328 1.978 1.00 0.00 C ATOM 0 H ALA A 32 -2.910 24.582 2.069 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.718 25.854 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.353 26.122 1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.038 24.408 1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.296 25.169 3.010 1.00 0.00 H new ATOM 429 N THR A 33 -4.478 28.148 1.243 1.00 0.00 N ATOM 430 CA THR A 33 -4.033 29.478 1.640 1.00 0.00 C ATOM 431 C THR A 33 -4.829 29.991 2.834 1.00 0.00 C ATOM 432 O THR A 33 -5.775 29.346 3.284 1.00 0.00 O ATOM 433 CB THR A 33 -4.163 30.483 0.480 1.00 0.00 C ATOM 434 OG1 THR A 33 -5.534 30.857 0.308 1.00 0.00 O ATOM 435 CG2 THR A 33 -3.628 29.888 -0.814 1.00 0.00 C ATOM 0 H THR A 33 -5.313 28.140 0.657 1.00 0.00 H new ATOM 0 HA THR A 33 -2.983 29.390 1.919 1.00 0.00 H new ATOM 0 HB THR A 33 -3.574 31.366 0.726 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.608 31.497 -0.430 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.730 30.616 -1.619 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.576 29.631 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.194 28.990 -1.063 1.00 0.00 H new ATOM 443 N GLY A 34 -4.441 31.156 3.342 1.00 0.00 N ATOM 444 CA GLY A 34 -5.130 31.736 4.480 1.00 0.00 C ATOM 445 C GLY A 34 -4.203 31.994 5.651 1.00 0.00 C ATOM 446 O GLY A 34 -3.394 31.138 6.010 1.00 0.00 O ATOM 0 H GLY A 34 -3.661 31.709 2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.598 32.673 4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.931 31.067 4.795 1.00 0.00 H new ATOM 450 N SER A 35 -4.319 33.176 6.247 1.00 0.00 N ATOM 451 CA SER A 35 -3.480 33.546 7.381 1.00 0.00 C ATOM 452 C SER A 35 -4.320 33.730 8.641 1.00 0.00 C ATOM 453 O SER A 35 -5.312 34.459 8.656 1.00 0.00 O ATOM 454 CB SER A 35 -2.711 34.832 7.075 1.00 0.00 C ATOM 455 OG SER A 35 -3.595 35.888 6.741 1.00 0.00 O ATOM 0 H SER A 35 -4.986 33.894 5.964 1.00 0.00 H new ATOM 0 HA SER A 35 -2.769 32.738 7.554 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.111 35.115 7.940 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.019 34.658 6.251 1.00 0.00 H new ATOM 0 HG SER A 35 -4.433 35.782 7.238 1.00 0.00 H new ATOM 461 N PRO A 36 -3.915 33.052 9.725 1.00 0.00 N ATOM 462 CA PRO A 36 -2.736 32.181 9.719 1.00 0.00 C ATOM 463 C PRO A 36 -2.952 30.919 8.891 1.00 0.00 C ATOM 464 O PRO A 36 -4.071 30.623 8.474 1.00 0.00 O ATOM 465 CB PRO A 36 -2.550 31.826 11.197 1.00 0.00 C ATOM 466 CG PRO A 36 -3.907 31.969 11.794 1.00 0.00 C ATOM 467 CD PRO A 36 -4.576 33.085 11.041 1.00 0.00 C ATOM 0 HA PRO A 36 -1.870 32.669 9.272 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.170 30.811 11.316 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.834 32.493 11.677 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.473 31.042 11.702 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.843 32.199 12.857 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.651 32.924 10.955 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.436 34.045 11.537 1.00 0.00 H new ATOM 475 N VAL A 37 -1.873 30.178 8.658 1.00 0.00 N ATOM 476 CA VAL A 37 -1.945 28.947 7.880 1.00 0.00 C ATOM 477 C VAL A 37 -3.130 28.091 8.315 1.00 0.00 C ATOM 478 O VAL A 37 -3.369 27.875 9.503 1.00 0.00 O ATOM 479 CB VAL A 37 -0.652 28.121 8.016 1.00 0.00 C ATOM 480 CG1 VAL A 37 -0.765 26.820 7.237 1.00 0.00 C ATOM 481 CG2 VAL A 37 0.548 28.930 7.548 1.00 0.00 C ATOM 0 H VAL A 37 -0.939 30.409 8.997 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.074 29.238 6.837 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.507 27.875 9.068 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.158 26.250 7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.600 26.236 7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.934 27.041 6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.453 28.331 7.651 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.414 29.208 6.503 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.638 29.831 8.155 1.00 0.00 H new ATOM 491 N PRO A 38 -3.891 27.591 7.331 1.00 0.00 N ATOM 492 CA PRO A 38 -5.064 26.749 7.587 1.00 0.00 C ATOM 493 C PRO A 38 -4.684 25.374 8.125 1.00 0.00 C ATOM 494 O PRO A 38 -3.650 24.815 7.757 1.00 0.00 O ATOM 495 CB PRO A 38 -5.717 26.622 6.208 1.00 0.00 C ATOM 496 CG PRO A 38 -4.603 26.829 5.241 1.00 0.00 C ATOM 497 CD PRO A 38 -3.666 27.807 5.892 1.00 0.00 C ATOM 0 HA PRO A 38 -5.718 27.180 8.345 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.178 25.643 6.077 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.503 27.365 6.072 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.096 25.889 5.023 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.976 27.218 4.293 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.629 27.616 5.614 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.890 28.833 5.600 1.00 0.00 H new ATOM 505 N THR A 39 -5.527 24.832 8.999 1.00 0.00 N ATOM 506 CA THR A 39 -5.279 23.523 9.588 1.00 0.00 C ATOM 507 C THR A 39 -5.793 22.407 8.686 1.00 0.00 C ATOM 508 O THR A 39 -6.993 22.311 8.424 1.00 0.00 O ATOM 509 CB THR A 39 -5.944 23.395 10.972 1.00 0.00 C ATOM 510 OG1 THR A 39 -5.662 24.557 11.760 1.00 0.00 O ATOM 511 CG2 THR A 39 -5.450 22.152 11.697 1.00 0.00 C ATOM 0 H THR A 39 -6.387 25.280 9.314 1.00 0.00 H new ATOM 0 HA THR A 39 -4.199 23.427 9.701 1.00 0.00 H new ATOM 0 HB THR A 39 -7.021 23.307 10.827 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.089 24.469 12.637 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.933 22.083 12.672 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.692 21.267 11.108 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.370 22.214 11.831 1.00 0.00 H new ATOM 519 N ILE A 40 -4.879 21.566 8.213 1.00 0.00 N ATOM 520 CA ILE A 40 -5.241 20.456 7.341 1.00 0.00 C ATOM 521 C ILE A 40 -5.628 19.224 8.151 1.00 0.00 C ATOM 522 O ILE A 40 -4.962 18.874 9.127 1.00 0.00 O ATOM 523 CB ILE A 40 -4.088 20.089 6.388 1.00 0.00 C ATOM 524 CG1 ILE A 40 -3.637 21.320 5.600 1.00 0.00 C ATOM 525 CG2 ILE A 40 -4.515 18.976 5.444 1.00 0.00 C ATOM 526 CD1 ILE A 40 -4.663 21.806 4.599 1.00 0.00 C ATOM 0 H ILE A 40 -3.882 21.633 8.419 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.097 20.784 6.752 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.246 19.732 6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.412 22.126 6.298 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.711 21.086 5.075 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.689 18.728 4.777 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.792 18.094 6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.371 19.307 4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.276 22.681 4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.871 21.016 3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.583 22.072 5.120 1.00 0.00 H new ATOM 538 N LEU A 41 -6.707 18.567 7.740 1.00 0.00 N ATOM 539 CA LEU A 41 -7.183 17.371 8.427 1.00 0.00 C ATOM 540 C LEU A 41 -7.478 16.253 7.432 1.00 0.00 C ATOM 541 O LEU A 41 -7.248 16.401 6.232 1.00 0.00 O ATOM 542 CB LEU A 41 -8.438 17.691 9.240 1.00 0.00 C ATOM 543 CG LEU A 41 -8.204 18.242 10.647 1.00 0.00 C ATOM 544 CD1 LEU A 41 -7.423 17.244 11.488 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.474 19.575 10.583 1.00 0.00 C ATOM 0 H LEU A 41 -7.269 18.842 6.934 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.397 17.033 9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.033 18.414 8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.035 16.783 9.322 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.173 18.404 11.119 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.266 17.653 12.486 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.984 16.313 11.562 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.458 17.050 11.020 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.316 19.952 11.593 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.511 19.439 10.092 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.072 20.290 10.018 1.00 0.00 H new ATOM 557 N TRP A 42 -7.991 15.138 7.939 1.00 0.00 N ATOM 558 CA TRP A 42 -8.321 13.996 7.093 1.00 0.00 C ATOM 559 C TRP A 42 -9.563 13.277 7.609 1.00 0.00 C ATOM 560 O TRP A 42 -9.777 13.178 8.817 1.00 0.00 O ATOM 561 CB TRP A 42 -7.142 13.023 7.033 1.00 0.00 C ATOM 562 CG TRP A 42 -5.926 13.603 6.377 1.00 0.00 C ATOM 563 CD1 TRP A 42 -4.810 14.084 7.000 1.00 0.00 C ATOM 564 CD2 TRP A 42 -5.705 13.765 4.972 1.00 0.00 C ATOM 565 NE1 TRP A 42 -3.908 14.536 6.066 1.00 0.00 N ATOM 566 CE2 TRP A 42 -4.434 14.350 4.815 1.00 0.00 C ATOM 567 CE3 TRP A 42 -6.457 13.471 3.831 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -3.900 14.646 3.563 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -5.927 13.766 2.589 1.00 0.00 C ATOM 570 CH2 TRP A 42 -4.658 14.348 2.463 1.00 0.00 C ATOM 0 H TRP A 42 -8.187 15.000 8.930 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.529 14.367 6.089 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -6.886 12.711 8.045 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.446 12.128 6.491 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.658 14.106 8.069 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.996 14.943 6.271 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.435 13.021 3.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.923 15.095 3.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.500 13.544 1.701 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.271 14.566 1.479 1.00 0.00 H new ATOM 581 N ARG A 43 -10.379 12.778 6.686 1.00 0.00 N ATOM 582 CA ARG A 43 -11.600 12.069 7.049 1.00 0.00 C ATOM 583 C ARG A 43 -11.859 10.908 6.093 1.00 0.00 C ATOM 584 O ARG A 43 -11.572 10.996 4.899 1.00 0.00 O ATOM 585 CB ARG A 43 -12.793 13.028 7.039 1.00 0.00 C ATOM 586 CG ARG A 43 -12.839 13.954 8.243 1.00 0.00 C ATOM 587 CD ARG A 43 -14.195 14.631 8.374 1.00 0.00 C ATOM 588 NE ARG A 43 -14.327 15.770 7.469 1.00 0.00 N ATOM 589 CZ ARG A 43 -15.496 16.243 7.050 1.00 0.00 C ATOM 590 NH1 ARG A 43 -16.626 15.678 7.451 1.00 0.00 N ATOM 591 NH2 ARG A 43 -15.535 17.283 6.227 1.00 0.00 N ATOM 0 H ARG A 43 -10.217 12.852 5.682 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.473 11.668 8.054 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.758 13.629 6.130 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -13.715 12.448 7.002 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.626 13.386 9.149 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.060 14.711 8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.983 13.908 8.164 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -14.335 14.966 9.402 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.476 16.227 7.141 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.600 14.878 8.083 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.522 16.043 7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.667 17.720 5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.433 17.646 5.906 1.00 0.00 H new ATOM 605 N LYS A 44 -12.403 9.820 6.627 1.00 0.00 N ATOM 606 CA LYS A 44 -12.702 8.641 5.823 1.00 0.00 C ATOM 607 C LYS A 44 -14.149 8.200 6.022 1.00 0.00 C ATOM 608 O LYS A 44 -14.546 7.818 7.123 1.00 0.00 O ATOM 609 CB LYS A 44 -11.754 7.496 6.188 1.00 0.00 C ATOM 610 CG LYS A 44 -10.392 7.598 5.524 1.00 0.00 C ATOM 611 CD LYS A 44 -9.327 6.863 6.320 1.00 0.00 C ATOM 612 CE LYS A 44 -9.506 5.355 6.229 1.00 0.00 C ATOM 613 NZ LYS A 44 -8.936 4.657 7.415 1.00 0.00 N ATOM 0 H LYS A 44 -12.646 9.730 7.614 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.561 8.901 4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.621 7.477 7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.216 6.550 5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.445 7.184 4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.113 8.647 5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.340 7.137 5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.372 7.174 7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.567 5.120 6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.024 4.986 5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.078 3.632 7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.918 4.861 7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.413 4.990 8.277 1.00 0.00 H new ATOM 627 N ASP A 45 -14.931 8.253 4.949 1.00 0.00 N ATOM 628 CA ASP A 45 -16.333 7.857 5.005 1.00 0.00 C ATOM 629 C ASP A 45 -17.057 8.579 6.136 1.00 0.00 C ATOM 630 O ASP A 45 -17.911 8.002 6.809 1.00 0.00 O ATOM 631 CB ASP A 45 -16.450 6.343 5.191 1.00 0.00 C ATOM 632 CG ASP A 45 -17.846 5.830 4.896 1.00 0.00 C ATOM 633 OD1 ASP A 45 -18.222 5.784 3.706 1.00 0.00 O ATOM 634 OD2 ASP A 45 -18.561 5.473 5.856 1.00 0.00 O ATOM 0 H ASP A 45 -14.618 8.566 4.030 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.802 8.137 4.062 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.736 5.843 4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -16.179 6.084 6.214 1.00 0.00 H new ATOM 639 N GLY A 46 -16.710 9.846 6.342 1.00 0.00 N ATOM 640 CA GLY A 46 -17.335 10.626 7.394 1.00 0.00 C ATOM 641 C GLY A 46 -16.795 10.284 8.768 1.00 0.00 C ATOM 642 O GLY A 46 -17.542 10.253 9.746 1.00 0.00 O ATOM 0 H GLY A 46 -16.007 10.346 5.799 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.177 11.687 7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.412 10.456 7.377 1.00 0.00 H new ATOM 646 N VAL A 47 -15.494 10.024 8.843 1.00 0.00 N ATOM 647 CA VAL A 47 -14.854 9.682 10.108 1.00 0.00 C ATOM 648 C VAL A 47 -13.493 10.357 10.236 1.00 0.00 C ATOM 649 O VAL A 47 -12.698 10.360 9.295 1.00 0.00 O ATOM 650 CB VAL A 47 -14.675 8.159 10.252 1.00 0.00 C ATOM 651 CG1 VAL A 47 -13.963 7.826 11.554 1.00 0.00 C ATOM 652 CG2 VAL A 47 -16.022 7.455 10.177 1.00 0.00 C ATOM 0 H VAL A 47 -14.862 10.044 8.043 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.510 10.040 10.902 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.058 7.804 9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.845 6.746 11.638 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.981 8.300 11.563 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.551 8.194 12.395 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.877 6.380 10.281 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -16.665 7.813 10.981 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -16.490 7.667 9.216 1.00 0.00 H new ATOM 662 N LEU A 48 -13.230 10.928 11.406 1.00 0.00 N ATOM 663 CA LEU A 48 -11.964 11.607 11.659 1.00 0.00 C ATOM 664 C LEU A 48 -10.815 10.605 11.735 1.00 0.00 C ATOM 665 O LEU A 48 -10.796 9.731 12.601 1.00 0.00 O ATOM 666 CB LEU A 48 -12.043 12.409 12.958 1.00 0.00 C ATOM 667 CG LEU A 48 -12.624 13.819 12.843 1.00 0.00 C ATOM 668 CD1 LEU A 48 -11.728 14.696 11.981 1.00 0.00 C ATOM 669 CD2 LEU A 48 -14.034 13.769 12.272 1.00 0.00 C ATOM 0 H LEU A 48 -13.877 10.934 12.195 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.774 12.289 10.830 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.645 11.847 13.672 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.039 12.484 13.376 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.673 14.255 13.841 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.157 15.696 11.910 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.737 14.757 12.431 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.647 14.264 10.983 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.432 14.781 12.197 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.010 13.314 11.282 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.671 13.176 12.928 1.00 0.00 H new ATOM 681 N VAL A 49 -9.857 10.741 10.823 1.00 0.00 N ATOM 682 CA VAL A 49 -8.703 9.851 10.789 1.00 0.00 C ATOM 683 C VAL A 49 -8.132 9.637 12.187 1.00 0.00 C ATOM 684 O VAL A 49 -7.987 10.583 12.961 1.00 0.00 O ATOM 685 CB VAL A 49 -7.594 10.405 9.874 1.00 0.00 C ATOM 686 CG1 VAL A 49 -6.318 9.592 10.029 1.00 0.00 C ATOM 687 CG2 VAL A 49 -8.057 10.415 8.425 1.00 0.00 C ATOM 0 H VAL A 49 -9.858 11.459 10.098 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.051 8.898 10.391 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.380 11.432 10.171 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.546 9.998 9.375 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.979 9.640 11.064 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.513 8.554 9.759 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.262 10.809 7.792 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.299 9.399 8.113 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.942 11.044 8.330 1.00 0.00 H new ATOM 697 N SER A 50 -7.810 8.387 12.503 1.00 0.00 N ATOM 698 CA SER A 50 -7.258 8.047 13.809 1.00 0.00 C ATOM 699 C SER A 50 -5.734 8.009 13.762 1.00 0.00 C ATOM 700 O SER A 50 -5.138 7.019 13.335 1.00 0.00 O ATOM 701 CB SER A 50 -7.799 6.694 14.278 1.00 0.00 C ATOM 702 OG SER A 50 -8.992 6.854 15.026 1.00 0.00 O ATOM 0 H SER A 50 -7.922 7.593 11.873 1.00 0.00 H new ATOM 0 HA SER A 50 -7.563 8.818 14.517 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.990 6.056 13.415 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.049 6.190 14.887 1.00 0.00 H new ATOM 0 HG SER A 50 -9.319 5.976 15.313 1.00 0.00 H new ATOM 708 N THR A 51 -5.107 9.095 14.203 1.00 0.00 N ATOM 709 CA THR A 51 -3.653 9.189 14.211 1.00 0.00 C ATOM 710 C THR A 51 -3.065 8.516 15.445 1.00 0.00 C ATOM 711 O THR A 51 -2.141 9.039 16.068 1.00 0.00 O ATOM 712 CB THR A 51 -3.184 10.656 14.167 1.00 0.00 C ATOM 713 OG1 THR A 51 -3.871 11.419 15.165 1.00 0.00 O ATOM 714 CG2 THR A 51 -3.435 11.264 12.795 1.00 0.00 C ATOM 0 H THR A 51 -5.585 9.923 14.560 1.00 0.00 H new ATOM 0 HA THR A 51 -3.299 8.675 13.317 1.00 0.00 H new ATOM 0 HB THR A 51 -2.113 10.678 14.366 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.567 12.350 15.132 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.096 12.300 12.788 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.888 10.698 12.041 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.501 11.230 12.572 1.00 0.00 H new ATOM 722 N GLN A 52 -3.606 7.353 15.794 1.00 0.00 N ATOM 723 CA GLN A 52 -3.134 6.609 16.956 1.00 0.00 C ATOM 724 C GLN A 52 -2.369 5.361 16.528 1.00 0.00 C ATOM 725 O GLN A 52 -1.494 4.880 17.249 1.00 0.00 O ATOM 726 CB GLN A 52 -4.312 6.218 17.850 1.00 0.00 C ATOM 727 CG GLN A 52 -5.369 5.390 17.138 1.00 0.00 C ATOM 728 CD GLN A 52 -6.178 4.531 18.090 1.00 0.00 C ATOM 729 OE1 GLN A 52 -5.662 4.048 19.098 1.00 0.00 O ATOM 730 NE2 GLN A 52 -7.453 4.338 17.775 1.00 0.00 N ATOM 0 H GLN A 52 -4.371 6.906 15.289 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.458 7.253 17.519 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.937 5.655 18.705 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.775 7.123 18.242 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.041 6.055 16.595 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.887 4.751 16.399 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.839 4.758 16.929 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.047 3.770 18.379 1.00 0.00 H new ATOM 739 N ASP A 53 -2.704 4.841 15.353 1.00 0.00 N ATOM 740 CA ASP A 53 -2.047 3.649 14.829 1.00 0.00 C ATOM 741 C ASP A 53 -0.788 4.020 14.051 1.00 0.00 C ATOM 742 O ASP A 53 -0.849 4.751 13.063 1.00 0.00 O ATOM 743 CB ASP A 53 -3.006 2.867 13.929 1.00 0.00 C ATOM 744 CG ASP A 53 -2.567 1.430 13.727 1.00 0.00 C ATOM 745 OD1 ASP A 53 -1.521 1.213 13.080 1.00 0.00 O ATOM 746 OD2 ASP A 53 -3.270 0.521 14.216 1.00 0.00 O ATOM 0 H ASP A 53 -3.427 5.226 14.745 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.759 3.022 15.673 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.004 2.881 14.367 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.076 3.362 12.960 1.00 0.00 H new ATOM 751 N SER A 54 0.353 3.510 14.505 1.00 0.00 N ATOM 752 CA SER A 54 1.628 3.792 13.856 1.00 0.00 C ATOM 753 C SER A 54 1.457 3.887 12.343 1.00 0.00 C ATOM 754 O SER A 54 2.025 4.768 11.697 1.00 0.00 O ATOM 755 CB SER A 54 2.649 2.705 14.197 1.00 0.00 C ATOM 756 OG SER A 54 3.079 2.814 15.543 1.00 0.00 O ATOM 0 H SER A 54 0.420 2.900 15.319 1.00 0.00 H new ATOM 0 HA SER A 54 1.992 4.751 14.225 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.208 1.722 14.031 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.507 2.786 13.530 1.00 0.00 H new ATOM 0 HG SER A 54 3.730 2.107 15.737 1.00 0.00 H new ATOM 762 N ARG A 55 0.669 2.974 11.784 1.00 0.00 N ATOM 763 CA ARG A 55 0.423 2.954 10.347 1.00 0.00 C ATOM 764 C ARG A 55 0.315 4.372 9.793 1.00 0.00 C ATOM 765 O ARG A 55 1.066 4.758 8.897 1.00 0.00 O ATOM 766 CB ARG A 55 -0.856 2.175 10.038 1.00 0.00 C ATOM 767 CG ARG A 55 -0.657 0.668 9.995 1.00 0.00 C ATOM 768 CD ARG A 55 -1.693 -0.006 9.109 1.00 0.00 C ATOM 769 NE ARG A 55 -3.028 0.035 9.699 1.00 0.00 N ATOM 770 CZ ARG A 55 -4.148 -0.011 8.987 1.00 0.00 C ATOM 771 NH1 ARG A 55 -4.094 -0.100 7.665 1.00 0.00 N ATOM 772 NH2 ARG A 55 -5.326 0.030 9.596 1.00 0.00 N ATOM 0 H ARG A 55 0.190 2.239 12.304 1.00 0.00 H new ATOM 0 HA ARG A 55 1.267 2.459 9.867 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.607 2.412 10.792 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.251 2.508 9.078 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.343 0.442 9.624 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.721 0.263 11.005 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.712 0.484 8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.404 -1.043 8.938 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.105 0.103 10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.191 -0.133 7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.956 -0.135 7.121 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.372 0.097 10.613 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.185 -0.005 9.047 1.00 0.00 H new ATOM 786 N ILE A 56 -0.625 5.141 10.333 1.00 0.00 N ATOM 787 CA ILE A 56 -0.831 6.516 9.893 1.00 0.00 C ATOM 788 C ILE A 56 0.008 7.487 10.716 1.00 0.00 C ATOM 789 O ILE A 56 -0.048 7.488 11.946 1.00 0.00 O ATOM 790 CB ILE A 56 -2.313 6.923 9.994 1.00 0.00 C ATOM 791 CG1 ILE A 56 -3.180 5.988 9.148 1.00 0.00 C ATOM 792 CG2 ILE A 56 -2.497 8.367 9.554 1.00 0.00 C ATOM 793 CD1 ILE A 56 -3.678 4.776 9.905 1.00 0.00 C ATOM 0 H ILE A 56 -1.255 4.836 11.075 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.520 6.564 8.849 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.628 6.838 11.034 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.036 6.545 8.767 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.605 5.656 8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.550 8.640 9.631 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.905 9.021 10.195 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.168 8.477 8.521 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.285 4.158 9.244 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.827 4.196 10.263 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.280 5.099 10.754 1.00 0.00 H new ATOM 805 N LYS A 57 0.787 8.316 10.028 1.00 0.00 N ATOM 806 CA LYS A 57 1.637 9.297 10.693 1.00 0.00 C ATOM 807 C LYS A 57 1.736 10.578 9.871 1.00 0.00 C ATOM 808 O LYS A 57 2.043 10.539 8.680 1.00 0.00 O ATOM 809 CB LYS A 57 3.034 8.717 10.924 1.00 0.00 C ATOM 810 CG LYS A 57 4.020 9.718 11.503 1.00 0.00 C ATOM 811 CD LYS A 57 5.071 9.034 12.360 1.00 0.00 C ATOM 812 CE LYS A 57 6.217 9.976 12.695 1.00 0.00 C ATOM 813 NZ LYS A 57 5.813 11.008 13.691 1.00 0.00 N ATOM 0 H LYS A 57 0.847 8.328 9.010 1.00 0.00 H new ATOM 0 HA LYS A 57 1.186 9.539 11.656 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.957 7.864 11.598 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.424 8.342 9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.507 10.261 10.693 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.483 10.454 12.102 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.613 8.675 13.281 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.458 8.161 11.835 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.057 9.402 13.087 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.563 10.465 11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.621 11.631 13.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.029 11.573 13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.507 10.542 14.569 1.00 0.00 H new ATOM 827 N GLN A 58 1.474 11.711 10.515 1.00 0.00 N ATOM 828 CA GLN A 58 1.535 13.003 9.842 1.00 0.00 C ATOM 829 C GLN A 58 2.969 13.519 9.783 1.00 0.00 C ATOM 830 O GLN A 58 3.476 14.088 10.751 1.00 0.00 O ATOM 831 CB GLN A 58 0.644 14.018 10.561 1.00 0.00 C ATOM 832 CG GLN A 58 -0.780 14.060 10.031 1.00 0.00 C ATOM 833 CD GLN A 58 -1.531 15.300 10.475 1.00 0.00 C ATOM 834 OE1 GLN A 58 -1.828 15.469 11.658 1.00 0.00 O ATOM 835 NE2 GLN A 58 -1.843 16.175 9.526 1.00 0.00 N ATOM 0 H GLN A 58 1.218 11.760 11.501 1.00 0.00 H new ATOM 0 HA GLN A 58 1.174 12.871 8.822 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.620 13.779 11.624 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.087 15.009 10.467 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.760 14.023 8.942 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.316 13.174 10.370 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.577 15.994 8.558 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.349 17.028 9.765 1.00 0.00 H new ATOM 844 N LEU A 59 3.618 13.317 8.642 1.00 0.00 N ATOM 845 CA LEU A 59 4.995 13.761 8.456 1.00 0.00 C ATOM 846 C LEU A 59 5.101 15.277 8.590 1.00 0.00 C ATOM 847 O LEU A 59 5.792 15.785 9.473 1.00 0.00 O ATOM 848 CB LEU A 59 5.513 13.322 7.085 1.00 0.00 C ATOM 849 CG LEU A 59 5.640 11.814 6.868 1.00 0.00 C ATOM 850 CD1 LEU A 59 6.315 11.157 8.061 1.00 0.00 C ATOM 851 CD2 LEU A 59 4.272 11.195 6.619 1.00 0.00 C ATOM 0 H LEU A 59 3.213 12.849 7.831 1.00 0.00 H new ATOM 0 HA LEU A 59 5.606 13.302 9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.847 13.724 6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.491 13.776 6.926 1.00 0.00 H new ATOM 0 HG LEU A 59 6.260 11.644 5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.396 10.084 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.311 11.580 8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.722 11.336 8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.381 10.121 6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.629 11.376 7.480 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.826 11.644 5.732 1.00 0.00 H new ATOM 863 N GLU A 60 4.409 15.994 7.710 1.00 0.00 N ATOM 864 CA GLU A 60 4.424 17.452 7.732 1.00 0.00 C ATOM 865 C GLU A 60 3.004 18.011 7.761 1.00 0.00 C ATOM 866 O GLU A 60 2.030 17.259 7.761 1.00 0.00 O ATOM 867 CB GLU A 60 5.173 17.994 6.513 1.00 0.00 C ATOM 868 CG GLU A 60 6.606 17.502 6.410 1.00 0.00 C ATOM 869 CD GLU A 60 7.508 18.105 7.470 1.00 0.00 C ATOM 870 OE1 GLU A 60 7.443 17.651 8.631 1.00 0.00 O ATOM 871 OE2 GLU A 60 8.278 19.030 7.137 1.00 0.00 O ATOM 0 H GLU A 60 3.831 15.589 6.973 1.00 0.00 H new ATOM 0 HA GLU A 60 4.939 17.771 8.638 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.634 17.708 5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.174 19.083 6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.621 16.416 6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.999 17.745 5.423 1.00 0.00 H new ATOM 878 N ASN A 61 2.896 19.335 7.786 1.00 0.00 N ATOM 879 CA ASN A 61 1.596 19.996 7.817 1.00 0.00 C ATOM 880 C ASN A 61 0.774 19.636 6.583 1.00 0.00 C ATOM 881 O ASN A 61 1.070 20.082 5.475 1.00 0.00 O ATOM 882 CB ASN A 61 1.774 21.513 7.901 1.00 0.00 C ATOM 883 CG ASN A 61 0.529 22.265 7.472 1.00 0.00 C ATOM 884 OD1 ASN A 61 -0.221 22.773 8.306 1.00 0.00 O ATOM 885 ND2 ASN A 61 0.303 22.339 6.165 1.00 0.00 N ATOM 0 H ASN A 61 3.693 19.972 7.785 1.00 0.00 H new ATOM 0 HA ASN A 61 1.061 19.651 8.702 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.028 21.790 8.924 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.612 21.813 7.272 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.519 22.832 5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.952 21.903 5.510 1.00 0.00 H new ATOM 892 N GLY A 62 -0.260 18.825 6.783 1.00 0.00 N ATOM 893 CA GLY A 62 -1.109 18.419 5.679 1.00 0.00 C ATOM 894 C GLY A 62 -0.674 17.103 5.066 1.00 0.00 C ATOM 895 O GLY A 62 -1.500 16.338 4.567 1.00 0.00 O ATOM 0 H GLY A 62 -0.525 18.442 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.137 18.331 6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.099 19.194 4.913 1.00 0.00 H new ATOM 899 N VAL A 63 0.629 16.838 5.100 1.00 0.00 N ATOM 900 CA VAL A 63 1.173 15.606 4.543 1.00 0.00 C ATOM 901 C VAL A 63 0.891 14.418 5.456 1.00 0.00 C ATOM 902 O VAL A 63 1.343 14.380 6.601 1.00 0.00 O ATOM 903 CB VAL A 63 2.693 15.715 4.317 1.00 0.00 C ATOM 904 CG1 VAL A 63 3.225 14.458 3.648 1.00 0.00 C ATOM 905 CG2 VAL A 63 3.020 16.949 3.489 1.00 0.00 C ATOM 0 H VAL A 63 1.327 17.461 5.508 1.00 0.00 H new ATOM 0 HA VAL A 63 0.680 15.449 3.584 1.00 0.00 H new ATOM 0 HB VAL A 63 3.181 15.815 5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.300 14.554 3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.023 13.595 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.734 14.323 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.098 17.011 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.522 16.881 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.675 17.840 4.013 1.00 0.00 H new ATOM 915 N LEU A 64 0.141 13.449 4.943 1.00 0.00 N ATOM 916 CA LEU A 64 -0.202 12.258 5.712 1.00 0.00 C ATOM 917 C LEU A 64 0.079 10.992 4.909 1.00 0.00 C ATOM 918 O LEU A 64 -0.544 10.750 3.876 1.00 0.00 O ATOM 919 CB LEU A 64 -1.675 12.298 6.122 1.00 0.00 C ATOM 920 CG LEU A 64 -2.190 11.084 6.896 1.00 0.00 C ATOM 921 CD1 LEU A 64 -2.021 11.294 8.393 1.00 0.00 C ATOM 922 CD2 LEU A 64 -3.648 10.813 6.555 1.00 0.00 C ATOM 0 H LEU A 64 -0.241 13.465 3.997 1.00 0.00 H new ATOM 0 HA LEU A 64 0.418 12.244 6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.838 13.187 6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.279 12.413 5.222 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.602 10.214 6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.393 10.420 8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.965 11.438 8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.583 12.175 8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.997 9.946 7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.251 11.682 6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.741 10.617 5.487 1.00 0.00 H new ATOM 934 N GLN A 65 1.020 10.187 5.393 1.00 0.00 N ATOM 935 CA GLN A 65 1.382 8.945 4.721 1.00 0.00 C ATOM 936 C GLN A 65 0.809 7.739 5.459 1.00 0.00 C ATOM 937 O GLN A 65 0.983 7.601 6.671 1.00 0.00 O ATOM 938 CB GLN A 65 2.903 8.820 4.619 1.00 0.00 C ATOM 939 CG GLN A 65 3.361 7.731 3.664 1.00 0.00 C ATOM 940 CD GLN A 65 4.806 7.899 3.236 1.00 0.00 C ATOM 941 OE1 GLN A 65 5.090 8.424 2.159 1.00 0.00 O ATOM 942 NE2 GLN A 65 5.729 7.453 4.081 1.00 0.00 N ATOM 0 H GLN A 65 1.545 10.373 6.248 1.00 0.00 H new ATOM 0 HA GLN A 65 0.958 8.968 3.717 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.317 9.775 4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.310 8.617 5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.238 6.759 4.142 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.722 7.735 2.781 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.448 7.024 4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.718 7.539 3.848 1.00 0.00 H new ATOM 951 N ILE A 66 0.126 6.870 4.722 1.00 0.00 N ATOM 952 CA ILE A 66 -0.471 5.676 5.308 1.00 0.00 C ATOM 953 C ILE A 66 0.146 4.410 4.724 1.00 0.00 C ATOM 954 O ILE A 66 -0.076 4.079 3.559 1.00 0.00 O ATOM 955 CB ILE A 66 -1.995 5.641 5.084 1.00 0.00 C ATOM 956 CG1 ILE A 66 -2.654 6.868 5.718 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.585 4.361 5.656 1.00 0.00 C ATOM 958 CD1 ILE A 66 -2.754 8.052 4.781 1.00 0.00 C ATOM 0 H ILE A 66 -0.028 6.970 3.719 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.270 5.715 6.379 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.190 5.660 4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.654 6.598 6.058 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.085 7.160 6.601 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.662 4.351 5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.134 3.500 5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.382 4.313 6.726 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.231 8.885 5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.755 8.348 4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.348 7.777 3.909 1.00 0.00 H new ATOM 970 N ARG A 67 0.921 3.705 5.542 1.00 0.00 N ATOM 971 CA ARG A 67 1.570 2.474 5.107 1.00 0.00 C ATOM 972 C ARG A 67 0.710 1.259 5.440 1.00 0.00 C ATOM 973 O ARG A 67 -0.156 1.319 6.313 1.00 0.00 O ATOM 974 CB ARG A 67 2.944 2.337 5.766 1.00 0.00 C ATOM 975 CG ARG A 67 4.067 2.985 4.974 1.00 0.00 C ATOM 976 CD ARG A 67 5.362 3.019 5.770 1.00 0.00 C ATOM 977 NE ARG A 67 6.448 3.648 5.022 1.00 0.00 N ATOM 978 CZ ARG A 67 7.591 4.039 5.575 1.00 0.00 C ATOM 979 NH1 ARG A 67 7.796 3.866 6.873 1.00 0.00 N ATOM 980 NH2 ARG A 67 8.531 4.604 4.828 1.00 0.00 N ATOM 0 H ARG A 67 1.115 3.965 6.509 1.00 0.00 H new ATOM 0 HA ARG A 67 1.697 2.522 4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.907 2.784 6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.169 1.279 5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.223 2.435 4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.781 4.000 4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.201 3.562 6.701 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.649 2.002 6.040 1.00 0.00 H new ATOM 0 HE ARG A 67 6.322 3.795 4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.075 3.432 7.450 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.674 4.167 7.295 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.376 4.738 3.829 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.408 4.904 5.253 1.00 0.00 H new ATOM 994 N TYR A 68 0.954 0.157 4.739 1.00 0.00 N ATOM 995 CA TYR A 68 0.201 -1.071 4.958 1.00 0.00 C ATOM 996 C TYR A 68 -1.277 -0.869 4.637 1.00 0.00 C ATOM 997 O TYR A 68 -2.152 -1.332 5.369 1.00 0.00 O ATOM 998 CB TYR A 68 0.360 -1.541 6.405 1.00 0.00 C ATOM 999 CG TYR A 68 1.801 -1.683 6.840 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.497 -0.602 7.367 1.00 0.00 C ATOM 1001 CD2 TYR A 68 2.467 -2.896 6.723 1.00 0.00 C ATOM 1002 CE1 TYR A 68 3.814 -0.726 7.766 1.00 0.00 C ATOM 1003 CE2 TYR A 68 3.784 -3.030 7.120 1.00 0.00 C ATOM 1004 CZ TYR A 68 4.453 -1.942 7.640 1.00 0.00 C ATOM 1005 OH TYR A 68 5.765 -2.071 8.036 1.00 0.00 O ATOM 0 H TYR A 68 1.668 0.090 4.014 1.00 0.00 H new ATOM 0 HA TYR A 68 0.599 -1.834 4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.142 -0.834 7.065 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.143 -2.501 6.524 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.000 0.352 7.466 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.947 -3.750 6.315 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.340 0.124 8.174 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.286 -3.981 7.024 1.00 0.00 H new ATOM 0 HH TYR A 68 6.064 -2.991 7.881 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.547 -0.172 3.538 1.00 0.00 N ATOM 1016 CA ALA A 69 -2.918 0.091 3.118 1.00 0.00 C ATOM 1017 C ALA A 69 -3.718 -1.203 3.016 1.00 0.00 C ATOM 1018 O ALA A 69 -3.571 -1.963 2.058 1.00 0.00 O ATOM 1019 CB ALA A 69 -2.930 0.827 1.787 1.00 0.00 C ATOM 0 H ALA A 69 -0.835 0.221 2.923 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.389 0.720 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.960 1.017 1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.402 1.775 1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.437 0.218 1.030 1.00 0.00 H new ATOM 1025 N LYS A 70 -4.566 -1.449 4.008 1.00 0.00 N ATOM 1026 CA LYS A 70 -5.391 -2.651 4.031 1.00 0.00 C ATOM 1027 C LYS A 70 -6.592 -2.505 3.101 1.00 0.00 C ATOM 1028 O LYS A 70 -6.857 -1.421 2.579 1.00 0.00 O ATOM 1029 CB LYS A 70 -5.869 -2.940 5.456 1.00 0.00 C ATOM 1030 CG LYS A 70 -4.738 -3.093 6.458 1.00 0.00 C ATOM 1031 CD LYS A 70 -5.233 -2.934 7.886 1.00 0.00 C ATOM 1032 CE LYS A 70 -4.180 -3.373 8.892 1.00 0.00 C ATOM 1033 NZ LYS A 70 -4.219 -4.843 9.130 1.00 0.00 N ATOM 0 H LYS A 70 -4.700 -0.831 4.808 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.782 -3.485 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.524 -2.132 5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.466 -3.852 5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.276 -4.073 6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.967 -2.350 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.499 -1.892 8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.140 -3.523 8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.192 -3.090 8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.337 -2.848 9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.487 -5.102 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.154 -5.110 9.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.044 -5.344 8.236 1.00 0.00 H new ATOM 1047 N LEU A 71 -7.314 -3.601 2.898 1.00 0.00 N ATOM 1048 CA LEU A 71 -8.488 -3.594 2.032 1.00 0.00 C ATOM 1049 C LEU A 71 -9.546 -2.628 2.556 1.00 0.00 C ATOM 1050 O LEU A 71 -9.998 -1.737 1.837 1.00 0.00 O ATOM 1051 CB LEU A 71 -9.075 -5.002 1.925 1.00 0.00 C ATOM 1052 CG LEU A 71 -8.306 -5.985 1.041 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -8.878 -7.387 1.178 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -8.340 -5.533 -0.412 1.00 0.00 C ATOM 0 H LEU A 71 -7.107 -4.506 3.321 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.177 -3.260 1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.143 -5.423 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.093 -4.921 1.544 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.267 -6.005 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.318 -8.072 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.802 -7.711 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.925 -7.384 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.788 -6.244 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.374 -5.484 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.882 -4.547 -0.497 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.935 -2.810 3.814 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.935 -1.946 4.414 1.00 0.00 C ATOM 1068 C GLY A 72 -10.603 -0.476 4.253 1.00 0.00 C ATOM 1069 O GLY A 72 -11.489 0.347 4.020 1.00 0.00 O ATOM 0 H GLY A 72 -9.576 -3.540 4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.905 -2.148 3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.025 -2.181 5.475 1.00 0.00 H new ATOM 1073 N ASP A 73 -9.323 -0.143 4.378 1.00 0.00 N ATOM 1074 CA ASP A 73 -8.875 1.238 4.246 1.00 0.00 C ATOM 1075 C ASP A 73 -9.645 1.956 3.142 1.00 0.00 C ATOM 1076 O ASP A 73 -10.031 3.116 3.291 1.00 0.00 O ATOM 1077 CB ASP A 73 -7.375 1.285 3.952 1.00 0.00 C ATOM 1078 CG ASP A 73 -6.854 2.703 3.821 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -7.262 3.399 2.868 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -6.040 3.116 4.672 1.00 0.00 O ATOM 0 H ASP A 73 -8.577 -0.811 4.571 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.068 1.748 5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.835 0.775 4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.171 0.740 3.030 1.00 0.00 H new ATOM 1085 N THR A 74 -9.866 1.258 2.032 1.00 0.00 N ATOM 1086 CA THR A 74 -10.587 1.829 0.901 1.00 0.00 C ATOM 1087 C THR A 74 -11.673 2.790 1.371 1.00 0.00 C ATOM 1088 O THR A 74 -12.674 2.375 1.953 1.00 0.00 O ATOM 1089 CB THR A 74 -11.230 0.731 0.033 1.00 0.00 C ATOM 1090 OG1 THR A 74 -10.233 -0.207 -0.388 1.00 0.00 O ATOM 1091 CG2 THR A 74 -11.912 1.334 -1.185 1.00 0.00 C ATOM 0 H THR A 74 -9.556 0.296 1.892 1.00 0.00 H new ATOM 0 HA THR A 74 -9.857 2.374 0.303 1.00 0.00 H new ATOM 0 HB THR A 74 -11.981 0.218 0.633 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.058 -0.845 0.335 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.359 0.539 -1.783 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.690 2.026 -0.861 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.177 1.870 -1.785 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.469 4.078 1.112 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.440 5.079 1.515 1.00 0.00 C ATOM 1101 C GLY A 75 -12.257 6.393 0.783 1.00 0.00 C ATOM 1102 O GLY A 75 -11.364 6.525 -0.055 1.00 0.00 O ATOM 0 H GLY A 75 -10.649 4.446 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.445 4.701 1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.357 5.250 2.588 1.00 0.00 H new ATOM 1106 N ARG A 76 -13.104 7.367 1.097 1.00 0.00 N ATOM 1107 CA ARG A 76 -13.033 8.677 0.461 1.00 0.00 C ATOM 1108 C ARG A 76 -12.253 9.661 1.327 1.00 0.00 C ATOM 1109 O ARG A 76 -12.773 10.181 2.315 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.440 9.217 0.197 1.00 0.00 C ATOM 1111 CG ARG A 76 -15.372 9.095 1.391 1.00 0.00 C ATOM 1112 CD ARG A 76 -16.688 9.818 1.147 1.00 0.00 C ATOM 1113 NE ARG A 76 -17.415 10.065 2.389 1.00 0.00 N ATOM 1114 CZ ARG A 76 -18.728 10.262 2.445 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -19.453 10.241 1.335 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -19.318 10.480 3.613 1.00 0.00 N ATOM 0 H ARG A 76 -13.848 7.274 1.788 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.511 8.563 -0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.369 10.265 -0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.873 8.681 -0.648 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.567 8.042 1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.887 9.508 2.276 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.493 10.766 0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.309 9.225 0.476 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.886 10.088 3.261 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -19.003 10.073 0.435 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -20.461 10.393 1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -18.764 10.497 4.469 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -20.326 10.631 3.655 1.00 0.00 H new ATOM 1130 N TYR A 77 -11.004 9.911 0.951 1.00 0.00 N ATOM 1131 CA TYR A 77 -10.151 10.830 1.695 1.00 0.00 C ATOM 1132 C TYR A 77 -10.441 12.277 1.308 1.00 0.00 C ATOM 1133 O TYR A 77 -10.159 12.702 0.187 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.677 10.509 1.443 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.218 9.222 2.091 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -8.460 7.994 1.488 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -7.544 9.234 3.306 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -8.044 6.815 2.076 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -7.123 8.060 3.900 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.375 6.853 3.282 1.00 0.00 C ATOM 1141 OH TYR A 77 -6.959 5.682 3.871 1.00 0.00 O ATOM 0 H TYR A 77 -10.560 9.490 0.135 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.367 10.706 2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.506 10.446 0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.066 11.331 1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.982 7.960 0.543 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.346 10.177 3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.241 5.869 1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.599 8.087 4.844 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.670 5.052 3.178 1.00 0.00 H new ATOM 1151 N THR A 78 -11.007 13.032 2.245 1.00 0.00 N ATOM 1152 CA THR A 78 -11.337 14.431 2.004 1.00 0.00 C ATOM 1153 C THR A 78 -10.457 15.355 2.837 1.00 0.00 C ATOM 1154 O THR A 78 -10.136 15.053 3.988 1.00 0.00 O ATOM 1155 CB THR A 78 -12.815 14.723 2.324 1.00 0.00 C ATOM 1156 OG1 THR A 78 -13.664 13.938 1.478 1.00 0.00 O ATOM 1157 CG2 THR A 78 -13.128 16.199 2.135 1.00 0.00 C ATOM 0 H THR A 78 -11.246 12.697 3.178 1.00 0.00 H new ATOM 0 HA THR A 78 -11.158 14.620 0.946 1.00 0.00 H new ATOM 0 HB THR A 78 -12.997 14.460 3.366 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.602 14.128 1.689 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.177 16.381 2.367 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.501 16.792 2.801 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.930 16.483 1.102 1.00 0.00 H new ATOM 1165 N CYS A 79 -10.068 16.482 2.251 1.00 0.00 N ATOM 1166 CA CYS A 79 -9.224 17.451 2.939 1.00 0.00 C ATOM 1167 C CYS A 79 -10.069 18.542 3.590 1.00 0.00 C ATOM 1168 O CYS A 79 -11.163 18.857 3.121 1.00 0.00 O ATOM 1169 CB CYS A 79 -8.228 18.077 1.960 1.00 0.00 C ATOM 1170 SG CYS A 79 -7.126 19.317 2.713 1.00 0.00 S ATOM 0 H CYS A 79 -10.324 16.747 1.300 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.674 16.927 3.721 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.621 17.286 1.520 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.781 18.545 1.145 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.553 19.115 4.673 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.259 20.171 5.387 1.00 0.00 C ATOM 1177 C ILE A 80 -9.310 21.300 5.777 1.00 0.00 C ATOM 1178 O ILE A 80 -8.194 21.056 6.235 1.00 0.00 O ATOM 1179 CB ILE A 80 -10.945 19.631 6.656 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -11.890 18.481 6.301 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -11.701 20.745 7.364 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -11.234 17.119 6.362 1.00 0.00 C ATOM 0 H ILE A 80 -8.649 18.865 5.074 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.020 20.557 4.709 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.179 19.252 7.332 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.740 18.497 6.983 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.283 18.641 5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.180 20.348 8.259 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.005 21.535 7.646 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.460 21.151 6.696 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.962 16.352 6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.401 17.085 5.660 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.865 16.938 7.372 1.00 0.00 H new ATOM 1194 N ALA A 81 -9.763 22.536 5.594 1.00 0.00 N ATOM 1195 CA ALA A 81 -8.956 23.702 5.930 1.00 0.00 C ATOM 1196 C ALA A 81 -9.744 24.685 6.789 1.00 0.00 C ATOM 1197 O ALA A 81 -10.586 25.428 6.286 1.00 0.00 O ATOM 1198 CB ALA A 81 -8.462 24.385 4.663 1.00 0.00 C ATOM 0 H ALA A 81 -10.684 22.755 5.215 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.095 23.363 6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.861 25.254 4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.855 23.687 4.086 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.316 24.704 4.065 1.00 0.00 H new ATOM 1204 N SER A 82 -9.466 24.683 8.089 1.00 0.00 N ATOM 1205 CA SER A 82 -10.152 25.572 9.019 1.00 0.00 C ATOM 1206 C SER A 82 -9.373 26.870 9.204 1.00 0.00 C ATOM 1207 O SER A 82 -8.176 26.855 9.490 1.00 0.00 O ATOM 1208 CB SER A 82 -10.343 24.881 10.371 1.00 0.00 C ATOM 1209 OG SER A 82 -10.850 25.784 11.338 1.00 0.00 O ATOM 0 H SER A 82 -8.770 24.075 8.522 1.00 0.00 H new ATOM 0 HA SER A 82 -11.129 25.812 8.600 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.028 24.040 10.260 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.391 24.474 10.713 1.00 0.00 H new ATOM 0 HG SER A 82 -10.965 25.318 12.192 1.00 0.00 H new ATOM 1215 N THR A 83 -10.063 27.995 9.039 1.00 0.00 N ATOM 1216 CA THR A 83 -9.438 29.303 9.186 1.00 0.00 C ATOM 1217 C THR A 83 -10.413 30.315 9.778 1.00 0.00 C ATOM 1218 O THR A 83 -11.630 30.133 9.746 1.00 0.00 O ATOM 1219 CB THR A 83 -8.921 29.834 7.836 1.00 0.00 C ATOM 1220 OG1 THR A 83 -9.730 29.327 6.769 1.00 0.00 O ATOM 1221 CG2 THR A 83 -7.471 29.432 7.615 1.00 0.00 C ATOM 0 H THR A 83 -11.055 28.026 8.803 1.00 0.00 H new ATOM 0 HA THR A 83 -8.594 29.175 9.864 1.00 0.00 H new ATOM 0 HB THR A 83 -8.981 30.922 7.852 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.675 29.370 7.026 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.129 29.819 6.655 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.854 29.844 8.413 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.390 28.345 7.618 1.00 0.00 H new ATOM 1229 N PRO A 84 -9.868 31.409 10.331 1.00 0.00 N ATOM 1230 CA PRO A 84 -10.673 32.472 10.940 1.00 0.00 C ATOM 1231 C PRO A 84 -11.460 33.268 9.905 1.00 0.00 C ATOM 1232 O PRO A 84 -12.162 34.222 10.243 1.00 0.00 O ATOM 1233 CB PRO A 84 -9.629 33.363 11.618 1.00 0.00 C ATOM 1234 CG PRO A 84 -8.374 33.127 10.851 1.00 0.00 C ATOM 1235 CD PRO A 84 -8.425 31.692 10.405 1.00 0.00 C ATOM 0 HA PRO A 84 -11.423 32.074 11.624 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.922 34.412 11.584 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.506 33.100 12.669 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.307 33.799 9.996 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.497 33.312 11.471 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.938 31.554 9.440 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.922 31.033 11.113 1.00 0.00 H new ATOM 1243 N SER A 85 -11.340 32.870 8.642 1.00 0.00 N ATOM 1244 CA SER A 85 -12.038 33.549 7.557 1.00 0.00 C ATOM 1245 C SER A 85 -13.079 32.631 6.923 1.00 0.00 C ATOM 1246 O SER A 85 -14.079 33.093 6.375 1.00 0.00 O ATOM 1247 CB SER A 85 -11.041 34.018 6.495 1.00 0.00 C ATOM 1248 OG SER A 85 -10.509 35.290 6.822 1.00 0.00 O ATOM 0 H SER A 85 -10.766 32.081 8.345 1.00 0.00 H new ATOM 0 HA SER A 85 -12.549 34.417 7.974 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.231 33.294 6.406 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.534 34.065 5.524 1.00 0.00 H new ATOM 0 HG SER A 85 -9.874 35.567 6.129 1.00 0.00 H new ATOM 1254 N GLY A 86 -12.835 31.326 7.002 1.00 0.00 N ATOM 1255 CA GLY A 86 -13.759 30.363 6.432 1.00 0.00 C ATOM 1256 C GLY A 86 -13.215 28.948 6.465 1.00 0.00 C ATOM 1257 O GLY A 86 -12.293 28.649 7.222 1.00 0.00 O ATOM 0 H GLY A 86 -12.014 30.919 7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.701 30.400 6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.978 30.641 5.401 1.00 0.00 H new ATOM 1261 N GLU A 87 -13.790 28.076 5.643 1.00 0.00 N ATOM 1262 CA GLU A 87 -13.358 26.684 5.584 1.00 0.00 C ATOM 1263 C GLU A 87 -13.770 26.043 4.262 1.00 0.00 C ATOM 1264 O GLU A 87 -14.828 26.350 3.714 1.00 0.00 O ATOM 1265 CB GLU A 87 -13.949 25.894 6.753 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.289 24.542 6.969 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.240 23.515 7.551 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -15.046 22.950 6.781 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -14.179 23.275 8.774 1.00 0.00 O ATOM 0 H GLU A 87 -14.555 28.308 5.010 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.270 26.664 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.855 26.485 7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.015 25.745 6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.901 24.175 6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.436 24.661 7.637 1.00 0.00 H new ATOM 1276 N ALA A 88 -12.925 25.151 3.755 1.00 0.00 N ATOM 1277 CA ALA A 88 -13.201 24.464 2.499 1.00 0.00 C ATOM 1278 C ALA A 88 -12.771 23.003 2.567 1.00 0.00 C ATOM 1279 O ALA A 88 -12.119 22.579 3.521 1.00 0.00 O ATOM 1280 CB ALA A 88 -12.500 25.170 1.348 1.00 0.00 C ATOM 0 H ALA A 88 -12.043 24.887 4.195 1.00 0.00 H new ATOM 0 HA ALA A 88 -14.277 24.491 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.714 24.647 0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.859 26.197 1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.424 25.172 1.524 1.00 0.00 H new ATOM 1286 N THR A 89 -13.142 22.234 1.547 1.00 0.00 N ATOM 1287 CA THR A 89 -12.796 20.819 1.491 1.00 0.00 C ATOM 1288 C THR A 89 -12.455 20.392 0.068 1.00 0.00 C ATOM 1289 O THR A 89 -12.798 21.078 -0.895 1.00 0.00 O ATOM 1290 CB THR A 89 -13.946 19.939 2.018 1.00 0.00 C ATOM 1291 OG1 THR A 89 -15.115 20.127 1.213 1.00 0.00 O ATOM 1292 CG2 THR A 89 -14.263 20.274 3.467 1.00 0.00 C ATOM 0 H THR A 89 -13.682 22.568 0.749 1.00 0.00 H new ATOM 0 HA THR A 89 -11.922 20.682 2.127 1.00 0.00 H new ATOM 0 HB THR A 89 -13.631 18.897 1.963 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.841 19.563 1.553 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.078 19.640 3.817 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.380 20.102 4.082 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.559 21.320 3.542 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.780 19.256 -0.057 1.00 0.00 N ATOM 1301 CA TRP A 90 -11.393 18.737 -1.364 1.00 0.00 C ATOM 1302 C TRP A 90 -11.977 17.347 -1.593 1.00 0.00 C ATOM 1303 O TRP A 90 -12.352 16.658 -0.645 1.00 0.00 O ATOM 1304 CB TRP A 90 -9.869 18.690 -1.487 1.00 0.00 C ATOM 1305 CG TRP A 90 -9.389 18.624 -2.905 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -8.911 17.523 -3.558 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -9.338 19.703 -3.844 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -8.566 17.854 -4.846 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -8.820 19.185 -5.047 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -9.683 21.056 -3.787 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -8.638 19.974 -6.180 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -9.501 21.838 -4.912 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -8.983 21.296 -6.095 1.00 0.00 C ATOM 0 H TRP A 90 -11.489 18.676 0.730 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.791 19.408 -2.125 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.446 19.573 -1.009 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.494 17.823 -0.943 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -8.818 16.538 -3.125 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -8.183 17.212 -5.540 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -10.085 21.483 -2.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -8.239 19.558 -7.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -9.763 22.885 -4.878 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -8.853 21.934 -6.957 1.00 0.00 H new ATOM 1324 N SER A 91 -12.050 16.942 -2.857 1.00 0.00 N ATOM 1325 CA SER A 91 -12.592 15.635 -3.209 1.00 0.00 C ATOM 1326 C SER A 91 -11.476 14.670 -3.597 1.00 0.00 C ATOM 1327 O SER A 91 -10.632 14.985 -4.436 1.00 0.00 O ATOM 1328 CB SER A 91 -13.591 15.767 -4.361 1.00 0.00 C ATOM 1329 OG SER A 91 -12.928 16.057 -5.579 1.00 0.00 O ATOM 0 H SER A 91 -11.741 17.499 -3.653 1.00 0.00 H new ATOM 0 HA SER A 91 -13.106 15.235 -2.335 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.158 14.842 -4.463 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.308 16.557 -4.136 1.00 0.00 H new ATOM 0 HG SER A 91 -11.965 15.912 -5.470 1.00 0.00 H new ATOM 1335 N ALA A 92 -11.478 13.493 -2.979 1.00 0.00 N ATOM 1336 CA ALA A 92 -10.467 12.481 -3.260 1.00 0.00 C ATOM 1337 C ALA A 92 -10.884 11.121 -2.711 1.00 0.00 C ATOM 1338 O ALA A 92 -11.496 11.032 -1.646 1.00 0.00 O ATOM 1339 CB ALA A 92 -9.125 12.899 -2.677 1.00 0.00 C ATOM 0 H ALA A 92 -12.168 13.217 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.369 12.392 -4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.380 12.134 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.814 13.845 -3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.218 13.018 -1.598 1.00 0.00 H new ATOM 1345 N TYR A 93 -10.551 10.065 -3.445 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.894 8.709 -3.032 1.00 0.00 C ATOM 1347 C TYR A 93 -9.771 7.735 -3.373 1.00 0.00 C ATOM 1348 O TYR A 93 -9.268 7.719 -4.497 1.00 0.00 O ATOM 1349 CB TYR A 93 -12.194 8.263 -3.705 1.00 0.00 C ATOM 1350 CG TYR A 93 -12.771 6.993 -3.123 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -12.060 5.800 -3.162 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -14.029 6.986 -2.531 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.584 4.637 -2.632 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -14.561 5.828 -1.997 1.00 0.00 C ATOM 1355 CZ TYR A 93 -13.835 4.656 -2.051 1.00 0.00 C ATOM 1356 OH TYR A 93 -14.360 3.500 -1.520 1.00 0.00 O ATOM 0 H TYR A 93 -10.044 10.122 -4.328 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.033 8.709 -1.951 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.931 9.061 -3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.010 8.115 -4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.080 5.782 -3.615 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.600 7.902 -2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.018 3.718 -2.672 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.539 5.840 -1.540 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.248 3.684 -1.148 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.383 6.924 -2.395 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.321 5.945 -2.591 1.00 0.00 C ATOM 1368 C ILE A 94 -8.884 4.530 -2.664 1.00 0.00 C ATOM 1369 O ILE A 94 -9.790 4.173 -1.912 1.00 0.00 O ATOM 1370 CB ILE A 94 -7.277 6.013 -1.461 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -6.696 7.425 -1.358 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -6.171 4.996 -1.699 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -5.883 7.833 -2.566 1.00 0.00 C ATOM 0 H ILE A 94 -9.788 6.925 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.837 6.190 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.768 5.772 -0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.511 8.136 -1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.068 7.487 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.441 5.057 -0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.598 3.994 -1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.680 5.208 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.503 8.844 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.047 7.145 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.513 7.804 -3.455 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.338 3.728 -3.572 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.786 2.350 -3.742 1.00 0.00 C ATOM 1387 C GLU A 95 -7.674 1.369 -3.385 1.00 0.00 C ATOM 1388 O GLU A 95 -6.509 1.584 -3.720 1.00 0.00 O ATOM 1389 CB GLU A 95 -9.247 2.114 -5.181 1.00 0.00 C ATOM 1390 CG GLU A 95 -9.991 0.803 -5.375 1.00 0.00 C ATOM 1391 CD GLU A 95 -11.413 0.856 -4.851 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -11.999 1.959 -4.835 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -11.940 -0.205 -4.458 1.00 0.00 O ATOM 0 H GLU A 95 -7.585 4.008 -4.201 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.626 2.182 -3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.893 2.937 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.378 2.130 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.008 0.553 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.450 0.004 -4.867 1.00 0.00 H new ATOM 1400 N VAL A 96 -8.042 0.289 -2.701 1.00 0.00 N ATOM 1401 CA VAL A 96 -7.076 -0.726 -2.298 1.00 0.00 C ATOM 1402 C VAL A 96 -7.396 -2.073 -2.938 1.00 0.00 C ATOM 1403 O VAL A 96 -8.364 -2.734 -2.563 1.00 0.00 O ATOM 1404 CB VAL A 96 -7.042 -0.893 -0.768 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -6.069 -1.992 -0.371 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.675 0.423 -0.097 1.00 0.00 C ATOM 0 H VAL A 96 -9.002 0.095 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.099 -0.386 -2.640 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.037 -1.183 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.059 -2.095 0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.381 -2.934 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.069 -1.736 -0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.656 0.287 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.692 0.745 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.415 1.181 -0.354 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.576 -2.472 -3.905 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.772 -3.741 -4.596 1.00 0.00 C ATOM 1418 C GLN A 97 -5.835 -4.811 -4.047 1.00 0.00 C ATOM 1419 O GLN A 97 -4.685 -4.529 -3.712 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.543 -3.567 -6.099 1.00 0.00 C ATOM 1421 CG GLN A 97 -7.724 -2.946 -6.827 1.00 0.00 C ATOM 1422 CD GLN A 97 -7.711 -1.431 -6.774 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -7.559 -0.837 -5.706 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -7.870 -0.797 -7.930 1.00 0.00 N ATOM 0 H GLN A 97 -5.771 -1.936 -4.227 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.799 -4.064 -4.427 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -5.663 -2.943 -6.254 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.326 -4.540 -6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.715 -3.269 -7.868 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.651 -3.313 -6.387 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.993 -1.330 -8.791 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -7.869 0.223 -7.957 1.00 0.00 H new ATOM 1433 N GLU A 98 -6.335 -6.040 -3.958 1.00 0.00 N ATOM 1434 CA GLU A 98 -5.541 -7.151 -3.448 1.00 0.00 C ATOM 1435 C GLU A 98 -4.516 -7.608 -4.482 1.00 0.00 C ATOM 1436 O GLU A 98 -4.809 -7.671 -5.676 1.00 0.00 O ATOM 1437 CB GLU A 98 -6.449 -8.321 -3.063 1.00 0.00 C ATOM 1438 CG GLU A 98 -5.884 -9.191 -1.952 1.00 0.00 C ATOM 1439 CD GLU A 98 -6.910 -10.152 -1.385 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -7.865 -10.496 -2.111 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -6.758 -10.560 -0.214 1.00 0.00 O ATOM 0 H GLU A 98 -7.285 -6.291 -4.232 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.008 -6.806 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.417 -7.931 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.624 -8.939 -3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.035 -9.757 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.508 -8.553 -1.152 1.00 0.00 H new