USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 663 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 9 LYS NZ :NH3+ 164:sc=-0.00849 (180deg=-0.183) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.7) USER MOD Single : A 16 THR OG1 : rot 15:sc= -0.403 USER MOD Single : A 31 MET CE :methyl -136:sc= -0.329 (180deg=-1.62) USER MOD Single : A 33 LYS NZ :NH3+ -116:sc= -1.04 (180deg=-2.57!) USER MOD Single : A 37 HIS : no HD1:sc= -1.13! C(o=-1.1!,f=-1.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.306 K(o=-0.31,f=-2.2!) USER MOD Single : A 62 ASN : amide:sc= 0.206 X(o=0.21,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.052 X(o=-0.052,f=-0.16) USER MOD Single : A 65 SER OG : rot -135:sc= 0.269 USER MOD Single : A 67 THR OG1 : rot -112:sc= -3.79! USER MOD Single : A 69 LYS NZ :NH3+ -111:sc= -0.266 (180deg=-2.32!) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 75 MET CE :methyl 131:sc= -0.716 (180deg=-2.93!) USER MOD Single : A 78 LYS NZ :NH3+ -164:sc= -1.9! (180deg=-2.12!) USER MOD ----------------------------------------------------------------- ATOM 71 N ASP A 5 -3.296 -14.915 -2.090 1.00 0.00 N ATOM 72 CA ASP A 5 -3.564 -15.584 -3.352 1.00 0.00 C ATOM 73 C ASP A 5 -3.992 -14.548 -4.392 1.00 0.00 C ATOM 74 O ASP A 5 -4.108 -13.363 -4.082 1.00 0.00 O ATOM 75 CB ASP A 5 -4.696 -16.603 -3.205 1.00 0.00 C ATOM 76 CG ASP A 5 -4.482 -17.656 -2.116 1.00 0.00 C ATOM 77 OD1 ASP A 5 -4.620 -17.373 -0.917 1.00 0.00 O ATOM 78 OD2 ASP A 5 -4.156 -18.827 -2.548 1.00 0.00 O ATOM 0 HA ASP A 5 -2.654 -16.098 -3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.622 -16.067 -2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.833 -17.112 -4.159 1.00 0.00 H new ATOM 84 N ASP A 6 -4.215 -15.032 -5.606 1.00 0.00 N ATOM 85 CA ASP A 6 -4.628 -14.162 -6.694 1.00 0.00 C ATOM 86 C ASP A 6 -5.691 -13.186 -6.186 1.00 0.00 C ATOM 87 O ASP A 6 -5.637 -11.994 -6.483 1.00 0.00 O ATOM 88 CB ASP A 6 -5.236 -14.968 -7.843 1.00 0.00 C ATOM 89 CG ASP A 6 -4.274 -15.290 -8.988 1.00 0.00 C ATOM 90 OD1 ASP A 6 -3.137 -14.796 -9.024 1.00 0.00 O ATOM 91 OD2 ASP A 6 -4.739 -16.095 -9.882 1.00 0.00 O ATOM 0 H ASP A 6 -4.117 -16.015 -5.860 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.747 -13.630 -7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.627 -15.904 -7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.084 -14.414 -8.246 1.00 0.00 H new ATOM 97 N ILE A 7 -6.633 -13.729 -5.429 1.00 0.00 N ATOM 98 CA ILE A 7 -7.708 -12.921 -4.877 1.00 0.00 C ATOM 99 C ILE A 7 -7.109 -11.760 -4.080 1.00 0.00 C ATOM 100 O ILE A 7 -7.462 -10.603 -4.303 1.00 0.00 O ATOM 101 CB ILE A 7 -8.670 -13.792 -4.066 1.00 0.00 C ATOM 102 CG1 ILE A 7 -9.239 -14.924 -4.923 1.00 0.00 C ATOM 103 CG2 ILE A 7 -9.774 -12.943 -3.431 1.00 0.00 C ATOM 104 CD1 ILE A 7 -8.416 -16.203 -4.757 1.00 0.00 C ATOM 0 H ILE A 7 -6.674 -14.718 -5.185 1.00 0.00 H new ATOM 0 HA ILE A 7 -8.307 -12.484 -5.677 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.110 -14.254 -3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.274 -15.114 -4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.245 -14.624 -5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.444 -13.586 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.327 -12.203 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.338 -12.435 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.841 -16.992 -5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.387 -16.016 -5.064 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.433 -16.513 -3.712 1.00 0.00 H new ATOM 116 N ALA A 8 -6.214 -12.109 -3.169 1.00 0.00 N ATOM 117 CA ALA A 8 -5.563 -11.110 -2.338 1.00 0.00 C ATOM 118 C ALA A 8 -5.167 -9.912 -3.204 1.00 0.00 C ATOM 119 O ALA A 8 -5.299 -8.765 -2.780 1.00 0.00 O ATOM 120 CB ALA A 8 -4.362 -11.739 -1.629 1.00 0.00 C ATOM 0 H ALA A 8 -5.924 -13.070 -2.987 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.244 -10.749 -1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.874 -10.990 -1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.700 -12.566 -1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.655 -12.110 -2.371 1.00 0.00 H new ATOM 126 N LYS A 9 -4.691 -10.220 -4.401 1.00 0.00 N ATOM 127 CA LYS A 9 -4.275 -9.183 -5.330 1.00 0.00 C ATOM 128 C LYS A 9 -5.424 -8.191 -5.528 1.00 0.00 C ATOM 129 O LYS A 9 -5.283 -7.006 -5.230 1.00 0.00 O ATOM 130 CB LYS A 9 -3.767 -9.803 -6.633 1.00 0.00 C ATOM 131 CG LYS A 9 -2.403 -9.228 -7.019 1.00 0.00 C ATOM 132 CD LYS A 9 -1.286 -9.860 -6.186 1.00 0.00 C ATOM 133 CE LYS A 9 -0.958 -11.268 -6.688 1.00 0.00 C ATOM 134 NZ LYS A 9 -0.217 -11.203 -7.967 1.00 0.00 N ATOM 0 H LYS A 9 -4.584 -11.173 -4.749 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.434 -8.621 -4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.691 -10.884 -6.520 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.484 -9.616 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.216 -9.405 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.405 -8.148 -6.872 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.394 -9.236 -6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.588 -9.904 -5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.363 -11.797 -5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.879 -11.836 -6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.230 -12.123 -8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.875 -10.972 -8.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.516 -10.468 -7.906 1.00 0.00 H new ATOM 147 N ARG A 10 -6.534 -8.713 -6.029 1.00 0.00 N ATOM 148 CA ARG A 10 -7.706 -7.888 -6.270 1.00 0.00 C ATOM 149 C ARG A 10 -7.958 -6.963 -5.078 1.00 0.00 C ATOM 150 O ARG A 10 -8.225 -5.775 -5.255 1.00 0.00 O ATOM 151 CB ARG A 10 -8.947 -8.751 -6.508 1.00 0.00 C ATOM 152 CG ARG A 10 -9.429 -8.629 -7.955 1.00 0.00 C ATOM 153 CD ARG A 10 -10.342 -9.799 -8.329 1.00 0.00 C ATOM 154 NE ARG A 10 -11.149 -9.451 -9.519 1.00 0.00 N ATOM 155 CZ ARG A 10 -11.776 -10.357 -10.300 1.00 0.00 C ATOM 156 NH1 ARG A 10 -11.693 -11.675 -10.022 1.00 0.00 N ATOM 157 NH2 ARG A 10 -12.471 -9.934 -11.340 1.00 0.00 N ATOM 0 H ARG A 10 -6.647 -9.697 -6.275 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.515 -7.292 -7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.719 -9.793 -6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.743 -8.446 -5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.965 -7.689 -8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.571 -8.603 -8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.744 -10.687 -8.532 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.998 -10.041 -7.493 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.237 -8.465 -9.765 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.154 -11.993 -9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.170 -12.353 -10.617 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.528 -8.936 -11.543 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.951 -10.605 -11.940 1.00 0.00 H new ATOM 170 N LYS A 11 -7.863 -7.541 -3.890 1.00 0.00 N ATOM 171 CA LYS A 11 -8.078 -6.783 -2.669 1.00 0.00 C ATOM 172 C LYS A 11 -7.246 -5.500 -2.718 1.00 0.00 C ATOM 173 O LYS A 11 -7.717 -4.435 -2.324 1.00 0.00 O ATOM 174 CB LYS A 11 -7.796 -7.653 -1.442 1.00 0.00 C ATOM 175 CG LYS A 11 -8.259 -6.958 -0.160 1.00 0.00 C ATOM 176 CD LYS A 11 -9.785 -6.842 -0.120 1.00 0.00 C ATOM 177 CE LYS A 11 -10.319 -7.124 1.286 1.00 0.00 C ATOM 178 NZ LYS A 11 -11.166 -6.003 1.753 1.00 0.00 N ATOM 0 H LYS A 11 -7.640 -8.526 -3.747 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.123 -6.483 -2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.306 -8.611 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.729 -7.866 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.910 -7.518 0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.813 -5.965 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.086 -5.842 -0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.225 -7.544 -0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.897 -8.048 1.283 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.487 -7.271 1.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.520 -6.210 2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.604 -5.128 1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.970 -5.882 1.104 1.00 0.00 H new ATOM 191 N ILE A 12 -6.022 -5.644 -3.205 1.00 0.00 N ATOM 192 CA ILE A 12 -5.120 -4.510 -3.311 1.00 0.00 C ATOM 193 C ILE A 12 -5.843 -3.352 -4.001 1.00 0.00 C ATOM 194 O ILE A 12 -5.877 -2.238 -3.480 1.00 0.00 O ATOM 195 CB ILE A 12 -3.819 -4.923 -4.002 1.00 0.00 C ATOM 196 CG1 ILE A 12 -2.603 -4.368 -3.258 1.00 0.00 C ATOM 197 CG2 ILE A 12 -3.826 -4.511 -5.475 1.00 0.00 C ATOM 198 CD1 ILE A 12 -2.244 -2.968 -3.760 1.00 0.00 C ATOM 0 H ILE A 12 -5.634 -6.529 -3.531 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.830 -4.160 -2.320 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.747 -6.010 -3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.812 -4.332 -2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.753 -5.036 -3.395 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.890 -4.816 -5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.660 -4.994 -5.984 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.933 -3.429 -5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.376 -2.597 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.012 -3.011 -4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.088 -2.297 -3.600 1.00 0.00 H new ATOM 210 N ARG A 13 -6.403 -3.654 -5.163 1.00 0.00 N ATOM 211 CA ARG A 13 -7.122 -2.652 -5.931 1.00 0.00 C ATOM 212 C ARG A 13 -8.492 -2.385 -5.302 1.00 0.00 C ATOM 213 O ARG A 13 -8.853 -1.235 -5.059 1.00 0.00 O ATOM 214 CB ARG A 13 -7.313 -3.101 -7.381 1.00 0.00 C ATOM 215 CG ARG A 13 -6.598 -2.154 -8.346 1.00 0.00 C ATOM 216 CD ARG A 13 -6.996 -2.445 -9.795 1.00 0.00 C ATOM 217 NE ARG A 13 -7.185 -1.175 -10.532 1.00 0.00 N ATOM 218 CZ ARG A 13 -6.173 -0.411 -10.996 1.00 0.00 C ATOM 219 NH1 ARG A 13 -4.890 -0.782 -10.802 1.00 0.00 N ATOM 220 NH2 ARG A 13 -6.458 0.704 -11.642 1.00 0.00 N ATOM 0 H ARG A 13 -6.373 -4.579 -5.592 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.529 -1.738 -5.922 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.927 -4.113 -7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.376 -3.133 -7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.844 -1.122 -8.098 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.519 -2.260 -8.233 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.225 -3.045 -10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.916 -3.029 -9.818 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.140 -0.857 -10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.679 -1.645 -10.302 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.131 -0.199 -11.156 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.431 0.977 -11.784 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.706 1.293 -11.999 1.00 0.00 H new ATOM 233 N PHE A 14 -9.216 -3.467 -5.057 1.00 0.00 N ATOM 234 CA PHE A 14 -10.537 -3.364 -4.462 1.00 0.00 C ATOM 235 C PHE A 14 -10.536 -2.378 -3.292 1.00 0.00 C ATOM 236 O PHE A 14 -11.569 -1.795 -2.966 1.00 0.00 O ATOM 237 CB PHE A 14 -10.903 -4.755 -3.940 1.00 0.00 C ATOM 238 CG PHE A 14 -12.332 -5.189 -4.273 1.00 0.00 C ATOM 239 CD1 PHE A 14 -12.588 -5.857 -5.429 1.00 0.00 C ATOM 240 CD2 PHE A 14 -13.346 -4.905 -3.413 1.00 0.00 C ATOM 241 CE1 PHE A 14 -13.914 -6.260 -5.738 1.00 0.00 C ATOM 242 CE2 PHE A 14 -14.673 -5.308 -3.721 1.00 0.00 C ATOM 243 CZ PHE A 14 -14.928 -5.977 -4.878 1.00 0.00 C ATOM 0 H PHE A 14 -8.913 -4.419 -5.260 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.252 -3.007 -5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.207 -5.483 -4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.772 -4.772 -2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.783 -6.081 -6.113 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -13.143 -4.373 -2.495 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.117 -6.791 -6.656 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.479 -5.084 -3.038 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.937 -6.283 -5.113 1.00 0.00 H new ATOM 253 N GLN A 15 -9.365 -2.222 -2.692 1.00 0.00 N ATOM 254 CA GLN A 15 -9.216 -1.317 -1.566 1.00 0.00 C ATOM 255 C GLN A 15 -8.973 0.111 -2.060 1.00 0.00 C ATOM 256 O GLN A 15 -9.683 1.036 -1.670 1.00 0.00 O ATOM 257 CB GLN A 15 -8.087 -1.775 -0.639 1.00 0.00 C ATOM 258 CG GLN A 15 -8.645 -2.502 0.586 1.00 0.00 C ATOM 259 CD GLN A 15 -9.193 -1.507 1.611 1.00 0.00 C ATOM 260 OE1 GLN A 15 -9.161 -0.302 1.424 1.00 0.00 O ATOM 261 NE2 GLN A 15 -9.697 -2.077 2.702 1.00 0.00 N ATOM 0 H GLN A 15 -8.510 -2.708 -2.965 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.142 -1.330 -0.991 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.411 -2.436 -1.182 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.502 -0.913 -0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.436 -3.186 0.279 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.861 -3.106 1.043 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.693 -3.093 2.795 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.088 -1.498 3.445 1.00 0.00 H new ATOM 270 N THR A 16 -7.967 0.245 -2.912 1.00 0.00 N ATOM 271 CA THR A 16 -7.622 1.544 -3.464 1.00 0.00 C ATOM 272 C THR A 16 -8.826 2.156 -4.182 1.00 0.00 C ATOM 273 O THR A 16 -9.959 1.717 -3.986 1.00 0.00 O ATOM 274 CB THR A 16 -6.402 1.364 -4.369 1.00 0.00 C ATOM 275 OG1 THR A 16 -6.773 0.303 -5.245 1.00 0.00 O ATOM 276 CG2 THR A 16 -5.188 0.817 -3.615 1.00 0.00 C ATOM 0 H THR A 16 -7.380 -0.525 -3.233 1.00 0.00 H new ATOM 0 HA THR A 16 -7.360 2.251 -2.677 1.00 0.00 H new ATOM 0 HB THR A 16 -6.145 2.320 -4.825 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.741 0.161 -5.195 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.350 0.708 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.914 1.507 -2.817 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.433 -0.155 -3.186 1.00 0.00 H new ATOM 284 N ARG A 17 -8.541 3.159 -4.998 1.00 0.00 N ATOM 285 CA ARG A 17 -9.587 3.836 -5.746 1.00 0.00 C ATOM 286 C ARG A 17 -10.436 4.698 -4.811 1.00 0.00 C ATOM 287 O ARG A 17 -10.583 4.382 -3.631 1.00 0.00 O ATOM 288 CB ARG A 17 -10.491 2.830 -6.462 1.00 0.00 C ATOM 289 CG ARG A 17 -11.164 3.466 -7.679 1.00 0.00 C ATOM 290 CD ARG A 17 -12.562 2.885 -7.899 1.00 0.00 C ATOM 291 NE ARG A 17 -12.791 2.649 -9.342 1.00 0.00 N ATOM 292 CZ ARG A 17 -12.192 1.670 -10.053 1.00 0.00 C ATOM 293 NH1 ARG A 17 -11.321 0.827 -9.459 1.00 0.00 N ATOM 294 NH2 ARG A 17 -12.470 1.550 -11.338 1.00 0.00 N ATOM 0 H ARG A 17 -7.600 3.520 -5.158 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.105 4.469 -6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.903 1.967 -6.776 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.251 2.463 -5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.233 4.545 -7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.553 3.298 -8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.667 1.950 -7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.315 3.571 -7.510 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.442 3.264 -9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.111 0.927 -8.466 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.873 0.090 -10.003 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.129 2.192 -11.779 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.026 0.816 -11.889 1.00 0.00 H new ATOM 307 N ARG A 18 -10.974 5.771 -5.372 1.00 0.00 N ATOM 308 CA ARG A 18 -11.804 6.682 -4.602 1.00 0.00 C ATOM 309 C ARG A 18 -10.945 7.490 -3.628 1.00 0.00 C ATOM 310 O ARG A 18 -9.726 7.327 -3.588 1.00 0.00 O ATOM 311 CB ARG A 18 -12.875 5.921 -3.817 1.00 0.00 C ATOM 312 CG ARG A 18 -13.600 4.914 -4.712 1.00 0.00 C ATOM 313 CD ARG A 18 -14.895 5.509 -5.268 1.00 0.00 C ATOM 314 NE ARG A 18 -14.647 6.109 -6.598 1.00 0.00 N ATOM 315 CZ ARG A 18 -15.594 6.719 -7.342 1.00 0.00 C ATOM 316 NH1 ARG A 18 -16.863 6.816 -6.891 1.00 0.00 N ATOM 317 NH2 ARG A 18 -15.261 7.221 -8.517 1.00 0.00 N ATOM 0 H ARG A 18 -10.851 6.030 -6.351 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.294 7.357 -5.304 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.414 5.401 -2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.594 6.626 -3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.949 4.618 -5.535 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.825 4.012 -4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.657 4.733 -5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.280 6.266 -4.585 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.701 6.058 -6.976 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.112 6.427 -5.982 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.572 7.279 -7.460 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.300 7.145 -8.850 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.965 7.685 -9.091 1.00 0.00 H new ATOM 330 N GLY A 19 -11.613 8.343 -2.866 1.00 0.00 N ATOM 331 CA GLY A 19 -10.926 9.177 -1.895 1.00 0.00 C ATOM 332 C GLY A 19 -9.720 9.875 -2.528 1.00 0.00 C ATOM 333 O GLY A 19 -8.646 9.286 -2.641 1.00 0.00 O ATOM 0 H GLY A 19 -12.624 8.475 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.615 9.922 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.597 8.567 -1.054 1.00 0.00 H new ATOM 337 N LEU A 20 -9.938 11.121 -2.924 1.00 0.00 N ATOM 338 CA LEU A 20 -8.883 11.905 -3.542 1.00 0.00 C ATOM 339 C LEU A 20 -8.514 11.283 -4.890 1.00 0.00 C ATOM 340 O LEU A 20 -7.942 10.195 -4.939 1.00 0.00 O ATOM 341 CB LEU A 20 -7.697 12.054 -2.587 1.00 0.00 C ATOM 342 CG LEU A 20 -8.042 12.406 -1.139 1.00 0.00 C ATOM 343 CD1 LEU A 20 -9.345 13.204 -1.064 1.00 0.00 C ATOM 344 CD2 LEU A 20 -8.087 11.151 -0.265 1.00 0.00 C ATOM 0 H LEU A 20 -10.830 11.606 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.229 12.919 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.135 11.120 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.035 12.825 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.251 13.044 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.567 13.441 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.239 14.128 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.159 12.612 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.334 11.430 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.845 10.468 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.114 10.660 -0.283 1.00 0.00 H new ATOM 356 N LEU A 21 -8.855 12.000 -5.950 1.00 0.00 N ATOM 357 CA LEU A 21 -8.567 11.531 -7.295 1.00 0.00 C ATOM 358 C LEU A 21 -7.061 11.300 -7.437 1.00 0.00 C ATOM 359 O LEU A 21 -6.634 10.281 -7.979 1.00 0.00 O ATOM 360 CB LEU A 21 -9.142 12.496 -8.333 1.00 0.00 C ATOM 361 CG LEU A 21 -8.157 13.503 -8.931 1.00 0.00 C ATOM 362 CD1 LEU A 21 -7.344 12.870 -10.062 1.00 0.00 C ATOM 363 CD2 LEU A 21 -8.880 14.773 -9.385 1.00 0.00 C ATOM 0 H LEU A 21 -9.328 12.902 -5.905 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.056 10.574 -7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.571 11.910 -9.146 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.961 13.048 -7.872 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.452 13.795 -8.153 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.652 13.607 -10.469 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.782 12.020 -9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.018 12.531 -10.849 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.158 15.472 -9.806 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.622 14.518 -10.142 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.376 15.234 -8.531 1.00 0.00 H new ATOM 375 N GLU A 22 -6.297 12.263 -6.942 1.00 0.00 N ATOM 376 CA GLU A 22 -4.848 12.177 -7.007 1.00 0.00 C ATOM 377 C GLU A 22 -4.362 10.892 -6.335 1.00 0.00 C ATOM 378 O GLU A 22 -3.485 10.206 -6.860 1.00 0.00 O ATOM 379 CB GLU A 22 -4.197 13.408 -6.373 1.00 0.00 C ATOM 380 CG GLU A 22 -2.986 13.868 -7.187 1.00 0.00 C ATOM 381 CD GLU A 22 -3.425 14.619 -8.446 1.00 0.00 C ATOM 382 OE1 GLU A 22 -4.086 14.034 -9.317 1.00 0.00 O ATOM 383 OE2 GLU A 22 -3.057 15.854 -8.501 1.00 0.00 O ATOM 0 H GLU A 22 -6.654 13.107 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.552 12.150 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.925 14.217 -6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.888 13.176 -5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.356 14.514 -6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.382 13.005 -7.466 1.00 0.00 H new ATOM 391 N LEU A 23 -4.952 10.604 -5.184 1.00 0.00 N ATOM 392 CA LEU A 23 -4.589 9.413 -4.435 1.00 0.00 C ATOM 393 C LEU A 23 -4.824 8.177 -5.305 1.00 0.00 C ATOM 394 O LEU A 23 -4.089 7.196 -5.208 1.00 0.00 O ATOM 395 CB LEU A 23 -5.332 9.374 -3.098 1.00 0.00 C ATOM 396 CG LEU A 23 -4.782 8.402 -2.053 1.00 0.00 C ATOM 397 CD1 LEU A 23 -3.302 8.107 -2.304 1.00 0.00 C ATOM 398 CD2 LEU A 23 -5.030 8.923 -0.636 1.00 0.00 C ATOM 0 H LEU A 23 -5.679 11.175 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.528 9.430 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.325 10.377 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.374 9.117 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.319 7.458 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.936 7.413 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.182 7.662 -3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.732 9.035 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.629 8.213 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.536 9.887 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.101 9.041 -0.474 1.00 0.00 H new ATOM 410 N ASP A 24 -5.852 8.265 -6.137 1.00 0.00 N ATOM 411 CA ASP A 24 -6.193 7.165 -7.024 1.00 0.00 C ATOM 412 C ASP A 24 -5.098 7.012 -8.082 1.00 0.00 C ATOM 413 O ASP A 24 -4.726 5.894 -8.438 1.00 0.00 O ATOM 414 CB ASP A 24 -7.515 7.431 -7.746 1.00 0.00 C ATOM 415 CG ASP A 24 -8.092 6.230 -8.499 1.00 0.00 C ATOM 416 OD1 ASP A 24 -7.353 5.438 -9.102 1.00 0.00 O ATOM 417 OD2 ASP A 24 -9.377 6.123 -8.451 1.00 0.00 O ATOM 0 H ASP A 24 -6.460 9.081 -6.216 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.286 6.261 -6.422 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.249 7.770 -7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.368 8.248 -8.453 1.00 0.00 H new ATOM 423 N LEU A 25 -4.614 8.150 -8.556 1.00 0.00 N ATOM 424 CA LEU A 25 -3.570 8.156 -9.567 1.00 0.00 C ATOM 425 C LEU A 25 -2.267 7.640 -8.951 1.00 0.00 C ATOM 426 O LEU A 25 -1.615 6.762 -9.514 1.00 0.00 O ATOM 427 CB LEU A 25 -3.444 9.543 -10.200 1.00 0.00 C ATOM 428 CG LEU A 25 -4.754 10.307 -10.407 1.00 0.00 C ATOM 429 CD1 LEU A 25 -4.554 11.490 -11.357 1.00 0.00 C ATOM 430 CD2 LEU A 25 -5.865 9.370 -10.883 1.00 0.00 C ATOM 0 H LEU A 25 -4.925 9.075 -8.259 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.827 7.481 -10.384 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.788 10.148 -9.574 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.952 9.436 -11.167 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.068 10.716 -9.446 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.500 12.016 -11.487 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.814 12.172 -10.938 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.205 11.126 -12.323 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.785 9.938 -11.022 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.574 8.912 -11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.029 8.591 -10.138 1.00 0.00 H new ATOM 442 N ILE A 26 -1.927 8.209 -7.804 1.00 0.00 N ATOM 443 CA ILE A 26 -0.714 7.818 -7.106 1.00 0.00 C ATOM 444 C ILE A 26 -0.552 6.299 -7.186 1.00 0.00 C ATOM 445 O ILE A 26 0.501 5.804 -7.588 1.00 0.00 O ATOM 446 CB ILE A 26 -0.721 8.360 -5.675 1.00 0.00 C ATOM 447 CG1 ILE A 26 -0.742 9.890 -5.669 1.00 0.00 C ATOM 448 CG2 ILE A 26 0.454 7.800 -4.871 1.00 0.00 C ATOM 449 CD1 ILE A 26 -1.351 10.425 -4.371 1.00 0.00 C ATOM 0 H ILE A 26 -2.470 8.938 -7.341 1.00 0.00 H new ATOM 0 HA ILE A 26 0.160 8.259 -7.586 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.635 8.023 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.273 10.272 -5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.317 10.253 -6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.426 8.201 -3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.384 6.713 -4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.391 8.087 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.354 11.515 -4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.374 10.061 -4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.760 10.081 -3.523 1.00 0.00 H new ATOM 461 N PHE A 27 -1.609 5.601 -6.799 1.00 0.00 N ATOM 462 CA PHE A 27 -1.597 4.148 -6.822 1.00 0.00 C ATOM 463 C PHE A 27 -1.194 3.625 -8.203 1.00 0.00 C ATOM 464 O PHE A 27 -0.436 2.662 -8.309 1.00 0.00 O ATOM 465 CB PHE A 27 -3.021 3.683 -6.510 1.00 0.00 C ATOM 466 CG PHE A 27 -3.469 3.972 -5.076 1.00 0.00 C ATOM 467 CD1 PHE A 27 -2.586 3.844 -4.049 1.00 0.00 C ATOM 468 CD2 PHE A 27 -4.750 4.356 -4.828 1.00 0.00 C ATOM 469 CE1 PHE A 27 -3.003 4.112 -2.718 1.00 0.00 C ATOM 470 CE2 PHE A 27 -5.166 4.624 -3.497 1.00 0.00 C ATOM 471 CZ PHE A 27 -4.283 4.496 -2.470 1.00 0.00 C ATOM 0 H PHE A 27 -2.480 6.015 -6.467 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.878 3.771 -6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.711 4.169 -7.200 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.090 2.611 -6.692 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.569 3.539 -4.246 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.451 4.457 -5.643 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.302 4.011 -1.902 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.183 4.929 -3.300 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.599 4.700 -1.458 1.00 0.00 H new ATOM 481 N GLY A 28 -1.718 4.284 -9.226 1.00 0.00 N ATOM 482 CA GLY A 28 -1.422 3.898 -10.595 1.00 0.00 C ATOM 483 C GLY A 28 0.060 3.557 -10.761 1.00 0.00 C ATOM 484 O GLY A 28 0.402 2.501 -11.290 1.00 0.00 O ATOM 0 H GLY A 28 -2.346 5.083 -9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.030 3.037 -10.873 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.690 4.710 -11.271 1.00 0.00 H new ATOM 488 N ARG A 29 0.900 4.471 -10.298 1.00 0.00 N ATOM 489 CA ARG A 29 2.337 4.281 -10.388 1.00 0.00 C ATOM 490 C ARG A 29 2.841 3.469 -9.193 1.00 0.00 C ATOM 491 O ARG A 29 3.541 2.473 -9.366 1.00 0.00 O ATOM 492 CB ARG A 29 3.069 5.624 -10.428 1.00 0.00 C ATOM 493 CG ARG A 29 3.426 6.011 -11.865 1.00 0.00 C ATOM 494 CD ARG A 29 4.926 6.279 -12.004 1.00 0.00 C ATOM 495 NE ARG A 29 5.235 6.728 -13.380 1.00 0.00 N ATOM 496 CZ ARG A 29 5.479 5.893 -14.412 1.00 0.00 C ATOM 497 NH1 ARG A 29 5.453 4.555 -14.232 1.00 0.00 N ATOM 498 NH2 ARG A 29 5.744 6.403 -15.600 1.00 0.00 N ATOM 0 H ARG A 29 0.612 5.346 -9.859 1.00 0.00 H new ATOM 0 HA ARG A 29 2.543 3.740 -11.312 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.442 6.397 -9.984 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.977 5.566 -9.827 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.131 5.211 -12.545 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.866 6.899 -12.156 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.236 7.039 -11.287 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.488 5.374 -11.773 1.00 0.00 H new ATOM 0 HE ARG A 29 5.265 7.732 -13.560 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.248 4.168 -13.311 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.639 3.931 -15.017 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.762 7.415 -15.728 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.931 5.785 -16.390 1.00 0.00 H new ATOM 511 N PHE A 30 2.466 3.926 -8.007 1.00 0.00 N ATOM 512 CA PHE A 30 2.871 3.254 -6.784 1.00 0.00 C ATOM 513 C PHE A 30 2.748 1.736 -6.925 1.00 0.00 C ATOM 514 O PHE A 30 3.542 0.989 -6.355 1.00 0.00 O ATOM 515 CB PHE A 30 1.926 3.730 -5.679 1.00 0.00 C ATOM 516 CG PHE A 30 1.407 2.607 -4.778 1.00 0.00 C ATOM 517 CD1 PHE A 30 0.373 1.826 -5.191 1.00 0.00 C ATOM 518 CD2 PHE A 30 1.980 2.390 -3.564 1.00 0.00 C ATOM 519 CE1 PHE A 30 -0.108 0.785 -4.354 1.00 0.00 C ATOM 520 CE2 PHE A 30 1.499 1.348 -2.727 1.00 0.00 C ATOM 521 CZ PHE A 30 0.465 0.568 -3.140 1.00 0.00 C ATOM 0 H PHE A 30 1.886 4.753 -7.867 1.00 0.00 H new ATOM 0 HA PHE A 30 3.912 3.487 -6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.444 4.466 -5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.076 4.238 -6.135 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.082 1.998 -6.155 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.801 3.010 -3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.929 0.165 -4.682 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.954 1.176 -1.763 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.099 -0.224 -2.504 1.00 0.00 H new ATOM 531 N MET A 31 1.746 1.324 -7.689 1.00 0.00 N ATOM 532 CA MET A 31 1.509 -0.092 -7.913 1.00 0.00 C ATOM 533 C MET A 31 2.388 -0.623 -9.047 1.00 0.00 C ATOM 534 O MET A 31 3.112 -1.601 -8.871 1.00 0.00 O ATOM 535 CB MET A 31 0.036 -0.314 -8.261 1.00 0.00 C ATOM 536 CG MET A 31 -0.801 -0.522 -6.997 1.00 0.00 C ATOM 537 SD MET A 31 -2.148 -1.643 -7.334 1.00 0.00 S ATOM 538 CE MET A 31 -3.521 -0.662 -6.752 1.00 0.00 C ATOM 0 H MET A 31 1.089 1.946 -8.160 1.00 0.00 H new ATOM 0 HA MET A 31 1.761 -0.632 -7.001 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.344 0.544 -8.816 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.061 -1.183 -8.912 1.00 0.00 H new ATOM 0 HG2 MET A 31 -0.176 -0.922 -6.199 1.00 0.00 H new ATOM 0 HG3 MET A 31 -1.191 0.434 -6.648 1.00 0.00 H new ATOM 0 HE1 MET A 31 -4.194 -1.289 -6.167 1.00 0.00 H new ATOM 0 HE2 MET A 31 -3.149 0.151 -6.129 1.00 0.00 H new ATOM 0 HE3 MET A 31 -4.060 -0.249 -7.604 1.00 0.00 H new ATOM 548 N GLU A 32 2.295 0.047 -10.187 1.00 0.00 N ATOM 549 CA GLU A 32 3.073 -0.345 -11.350 1.00 0.00 C ATOM 550 C GLU A 32 4.519 -0.641 -10.947 1.00 0.00 C ATOM 551 O GLU A 32 5.196 -1.439 -11.593 1.00 0.00 O ATOM 552 CB GLU A 32 3.015 0.731 -12.436 1.00 0.00 C ATOM 553 CG GLU A 32 2.783 0.108 -13.814 1.00 0.00 C ATOM 554 CD GLU A 32 3.229 1.058 -14.928 1.00 0.00 C ATOM 555 OE1 GLU A 32 2.822 2.229 -14.943 1.00 0.00 O ATOM 556 OE2 GLU A 32 4.029 0.541 -15.798 1.00 0.00 O ATOM 0 H GLU A 32 1.693 0.858 -10.330 1.00 0.00 H new ATOM 0 HA GLU A 32 2.639 -1.255 -11.763 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.214 1.436 -12.212 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.946 1.298 -12.441 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.332 -0.830 -13.890 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.726 -0.130 -13.936 1.00 0.00 H new ATOM 564 N LYS A 33 4.949 0.019 -9.882 1.00 0.00 N ATOM 565 CA LYS A 33 6.303 -0.163 -9.386 1.00 0.00 C ATOM 566 C LYS A 33 6.300 -1.234 -8.293 1.00 0.00 C ATOM 567 O LYS A 33 7.047 -2.208 -8.372 1.00 0.00 O ATOM 568 CB LYS A 33 6.892 1.175 -8.934 1.00 0.00 C ATOM 569 CG LYS A 33 6.179 1.694 -7.683 1.00 0.00 C ATOM 570 CD LYS A 33 6.568 3.145 -7.393 1.00 0.00 C ATOM 571 CE LYS A 33 6.445 4.007 -8.650 1.00 0.00 C ATOM 572 NZ LYS A 33 7.725 4.027 -9.393 1.00 0.00 N ATOM 0 H LYS A 33 4.384 0.680 -9.349 1.00 0.00 H new ATOM 0 HA LYS A 33 6.956 -0.520 -10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.956 1.057 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.802 1.906 -9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.100 1.623 -7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.434 1.067 -6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.928 3.547 -6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.592 3.183 -7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.653 3.617 -9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.162 5.023 -8.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.105 4.995 -9.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.406 3.393 -8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.565 3.707 -10.369 1.00 0.00 H new ATOM 585 N GLU A 34 5.452 -1.018 -7.298 1.00 0.00 N ATOM 586 CA GLU A 34 5.343 -1.953 -6.192 1.00 0.00 C ATOM 587 C GLU A 34 4.565 -3.198 -6.623 1.00 0.00 C ATOM 588 O GLU A 34 5.154 -4.254 -6.849 1.00 0.00 O ATOM 589 CB GLU A 34 4.688 -1.291 -4.977 1.00 0.00 C ATOM 590 CG GLU A 34 5.558 -0.153 -4.438 1.00 0.00 C ATOM 591 CD GLU A 34 5.218 0.151 -2.977 1.00 0.00 C ATOM 592 OE1 GLU A 34 5.859 -0.394 -2.066 1.00 0.00 O ATOM 593 OE2 GLU A 34 4.251 0.987 -2.805 1.00 0.00 O ATOM 0 H GLU A 34 4.834 -0.209 -7.235 1.00 0.00 H new ATOM 0 HA GLU A 34 6.348 -2.259 -5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.707 -0.904 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.529 -2.034 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.610 -0.424 -4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.410 0.741 -5.043 1.00 0.00 H new ATOM 601 N PHE A 35 3.255 -3.033 -6.724 1.00 0.00 N ATOM 602 CA PHE A 35 2.391 -4.130 -7.124 1.00 0.00 C ATOM 603 C PHE A 35 3.025 -4.943 -8.255 1.00 0.00 C ATOM 604 O PHE A 35 2.714 -6.120 -8.427 1.00 0.00 O ATOM 605 CB PHE A 35 1.085 -3.511 -7.628 1.00 0.00 C ATOM 606 CG PHE A 35 0.312 -4.398 -8.605 1.00 0.00 C ATOM 607 CD1 PHE A 35 0.663 -4.428 -9.919 1.00 0.00 C ATOM 608 CD2 PHE A 35 -0.726 -5.155 -8.161 1.00 0.00 C ATOM 609 CE1 PHE A 35 -0.055 -5.251 -10.827 1.00 0.00 C ATOM 610 CE2 PHE A 35 -1.444 -5.979 -9.069 1.00 0.00 C ATOM 611 CZ PHE A 35 -1.093 -6.009 -10.383 1.00 0.00 C ATOM 0 H PHE A 35 2.770 -2.155 -6.536 1.00 0.00 H new ATOM 0 HA PHE A 35 2.225 -4.799 -6.280 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.447 -3.288 -6.773 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.309 -2.562 -8.115 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.487 -3.826 -10.272 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.005 -5.130 -7.118 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.223 -5.275 -11.870 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.268 -6.581 -8.716 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.639 -6.635 -11.074 1.00 0.00 H new ATOM 621 N GLU A 36 3.902 -4.282 -8.996 1.00 0.00 N ATOM 622 CA GLU A 36 4.582 -4.928 -10.105 1.00 0.00 C ATOM 623 C GLU A 36 4.841 -6.402 -9.783 1.00 0.00 C ATOM 624 O GLU A 36 4.436 -7.286 -10.536 1.00 0.00 O ATOM 625 CB GLU A 36 5.887 -4.205 -10.445 1.00 0.00 C ATOM 626 CG GLU A 36 6.227 -4.355 -11.929 1.00 0.00 C ATOM 627 CD GLU A 36 7.507 -3.593 -12.278 1.00 0.00 C ATOM 628 OE1 GLU A 36 8.390 -3.440 -11.422 1.00 0.00 O ATOM 629 OE2 GLU A 36 7.567 -3.154 -13.490 1.00 0.00 O ATOM 0 H GLU A 36 4.157 -3.305 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 36 3.936 -4.875 -10.981 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.797 -3.148 -10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.699 -4.609 -9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.350 -5.410 -12.173 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.401 -3.982 -12.535 1.00 0.00 H new ATOM 637 N HIS A 37 5.514 -6.621 -8.663 1.00 0.00 N ATOM 638 CA HIS A 37 5.831 -7.972 -8.232 1.00 0.00 C ATOM 639 C HIS A 37 5.986 -8.002 -6.710 1.00 0.00 C ATOM 640 O HIS A 37 7.006 -8.457 -6.196 1.00 0.00 O ATOM 641 CB HIS A 37 7.066 -8.500 -8.965 1.00 0.00 C ATOM 642 CG HIS A 37 8.376 -8.056 -8.358 1.00 0.00 C ATOM 643 ND1 HIS A 37 9.407 -8.935 -8.076 1.00 0.00 N ATOM 644 CD2 HIS A 37 8.812 -6.819 -7.984 1.00 0.00 C ATOM 645 CE1 HIS A 37 10.412 -8.247 -7.555 1.00 0.00 C ATOM 646 NE2 HIS A 37 10.041 -6.936 -7.499 1.00 0.00 N ATOM 0 H HIS A 37 5.849 -5.885 -8.041 1.00 0.00 H new ATOM 0 HA HIS A 37 5.012 -8.643 -8.492 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.032 -9.589 -8.975 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.028 -8.171 -10.003 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.251 -5.900 -8.068 1.00 0.00 H new ATOM 0 HE1 HIS A 37 11.359 -8.653 -7.231 1.00 0.00 H new ATOM 0 HE2 HIS A 37 10.614 -6.171 -7.143 1.00 0.00 H new ATOM 654 N LEU A 38 4.958 -7.511 -6.033 1.00 0.00 N ATOM 655 CA LEU A 38 4.967 -7.477 -4.580 1.00 0.00 C ATOM 656 C LEU A 38 5.138 -8.898 -4.042 1.00 0.00 C ATOM 657 O LEU A 38 4.596 -9.848 -4.604 1.00 0.00 O ATOM 658 CB LEU A 38 3.720 -6.765 -4.054 1.00 0.00 C ATOM 659 CG LEU A 38 3.718 -5.239 -4.170 1.00 0.00 C ATOM 660 CD1 LEU A 38 2.345 -4.664 -3.817 1.00 0.00 C ATOM 661 CD2 LEU A 38 4.833 -4.624 -3.321 1.00 0.00 C ATOM 0 H LEU A 38 4.114 -7.134 -6.463 1.00 0.00 H new ATOM 0 HA LEU A 38 5.814 -6.895 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.853 -7.151 -4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.591 -7.030 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 38 3.920 -4.975 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.371 -3.578 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.596 -5.067 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.089 -4.937 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.810 -3.539 -3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.686 -4.895 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.798 -4.999 -3.661 1.00 0.00 H new ATOM 673 N SER A 39 5.893 -8.999 -2.957 1.00 0.00 N ATOM 674 CA SER A 39 6.142 -10.289 -2.336 1.00 0.00 C ATOM 675 C SER A 39 4.904 -10.744 -1.561 1.00 0.00 C ATOM 676 O SER A 39 3.988 -9.956 -1.329 1.00 0.00 O ATOM 677 CB SER A 39 7.357 -10.229 -1.408 1.00 0.00 C ATOM 678 OG SER A 39 8.249 -9.177 -1.766 1.00 0.00 O ATOM 0 H SER A 39 6.340 -8.209 -2.493 1.00 0.00 H new ATOM 0 HA SER A 39 6.356 -11.012 -3.123 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.022 -10.087 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.887 -11.181 -1.442 1.00 0.00 H new ATOM 0 HG SER A 39 9.011 -9.170 -1.150 1.00 0.00 H new ATOM 684 N ASP A 40 4.916 -12.013 -1.181 1.00 0.00 N ATOM 685 CA ASP A 40 3.806 -12.582 -0.436 1.00 0.00 C ATOM 686 C ASP A 40 3.700 -11.888 0.923 1.00 0.00 C ATOM 687 O ASP A 40 2.663 -11.314 1.252 1.00 0.00 O ATOM 688 CB ASP A 40 4.017 -14.077 -0.188 1.00 0.00 C ATOM 689 CG ASP A 40 3.234 -14.654 0.993 1.00 0.00 C ATOM 690 OD1 ASP A 40 2.326 -14.006 1.535 1.00 0.00 O ATOM 691 OD2 ASP A 40 3.594 -15.837 1.360 1.00 0.00 O ATOM 0 H ASP A 40 5.677 -12.664 -1.375 1.00 0.00 H new ATOM 0 HA ASP A 40 2.898 -12.438 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.739 -14.622 -1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.079 -14.256 -0.022 1.00 0.00 H new ATOM 697 N LYS A 41 4.787 -11.963 1.677 1.00 0.00 N ATOM 698 CA LYS A 41 4.829 -11.349 2.993 1.00 0.00 C ATOM 699 C LYS A 41 4.567 -9.847 2.859 1.00 0.00 C ATOM 700 O LYS A 41 3.885 -9.256 3.694 1.00 0.00 O ATOM 701 CB LYS A 41 6.145 -11.683 3.698 1.00 0.00 C ATOM 702 CG LYS A 41 6.277 -10.907 5.010 1.00 0.00 C ATOM 703 CD LYS A 41 6.854 -11.792 6.116 1.00 0.00 C ATOM 704 CE LYS A 41 7.581 -10.952 7.168 1.00 0.00 C ATOM 705 NZ LYS A 41 8.977 -10.694 6.752 1.00 0.00 N ATOM 0 H LYS A 41 5.646 -12.440 1.401 1.00 0.00 H new ATOM 0 HA LYS A 41 4.042 -11.755 3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.193 -12.753 3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.983 -11.443 3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.921 -10.040 4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.300 -10.530 5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.052 -12.359 6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.544 -12.517 5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.058 -10.007 7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.571 -11.471 8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.455 -10.123 7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.478 -11.598 6.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.980 -10.179 5.848 1.00 0.00 H new ATOM 718 N GLU A 42 5.123 -9.274 1.802 1.00 0.00 N ATOM 719 CA GLU A 42 4.958 -7.853 1.548 1.00 0.00 C ATOM 720 C GLU A 42 3.480 -7.520 1.334 1.00 0.00 C ATOM 721 O GLU A 42 2.976 -6.540 1.880 1.00 0.00 O ATOM 722 CB GLU A 42 5.799 -7.409 0.350 1.00 0.00 C ATOM 723 CG GLU A 42 6.634 -6.174 0.693 1.00 0.00 C ATOM 724 CD GLU A 42 7.831 -6.547 1.570 1.00 0.00 C ATOM 725 OE1 GLU A 42 8.766 -7.207 1.093 1.00 0.00 O ATOM 726 OE2 GLU A 42 7.768 -6.125 2.787 1.00 0.00 O ATOM 0 H GLU A 42 5.688 -9.768 1.111 1.00 0.00 H new ATOM 0 HA GLU A 42 5.311 -7.304 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.456 -8.222 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.147 -7.188 -0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.984 -5.701 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.013 -5.443 1.211 1.00 0.00 H new ATOM 734 N LEU A 43 2.828 -8.355 0.539 1.00 0.00 N ATOM 735 CA LEU A 43 1.418 -8.161 0.246 1.00 0.00 C ATOM 736 C LEU A 43 0.669 -7.858 1.546 1.00 0.00 C ATOM 737 O LEU A 43 -0.135 -6.928 1.601 1.00 0.00 O ATOM 738 CB LEU A 43 0.860 -9.362 -0.519 1.00 0.00 C ATOM 739 CG LEU A 43 1.209 -9.431 -2.007 1.00 0.00 C ATOM 740 CD1 LEU A 43 1.287 -10.882 -2.486 1.00 0.00 C ATOM 741 CD2 LEU A 43 0.227 -8.604 -2.840 1.00 0.00 C ATOM 0 H LEU A 43 3.250 -9.167 0.089 1.00 0.00 H new ATOM 0 HA LEU A 43 1.280 -7.302 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.220 -10.272 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.226 -9.358 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 43 2.197 -8.993 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.536 -10.902 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.056 -11.410 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.324 -11.369 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.498 -8.670 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.783 -8.989 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.266 -7.563 -2.520 1.00 0.00 H new ATOM 753 N SER A 44 0.958 -8.661 2.559 1.00 0.00 N ATOM 754 CA SER A 44 0.322 -8.491 3.854 1.00 0.00 C ATOM 755 C SER A 44 0.282 -7.007 4.227 1.00 0.00 C ATOM 756 O SER A 44 -0.790 -6.449 4.453 1.00 0.00 O ATOM 757 CB SER A 44 1.051 -9.290 4.936 1.00 0.00 C ATOM 758 OG SER A 44 0.207 -10.266 5.540 1.00 0.00 O ATOM 0 H SER A 44 1.624 -9.432 2.509 1.00 0.00 H new ATOM 0 HA SER A 44 -0.698 -8.870 3.786 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.920 -9.783 4.499 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.422 -8.609 5.701 1.00 0.00 H new ATOM 0 HG SER A 44 0.710 -10.756 6.224 1.00 0.00 H new ATOM 764 N GLU A 45 1.464 -6.411 4.278 1.00 0.00 N ATOM 765 CA GLU A 45 1.578 -5.003 4.619 1.00 0.00 C ATOM 766 C GLU A 45 0.597 -4.174 3.788 1.00 0.00 C ATOM 767 O GLU A 45 -0.247 -3.469 4.338 1.00 0.00 O ATOM 768 CB GLU A 45 3.013 -4.507 4.429 1.00 0.00 C ATOM 769 CG GLU A 45 3.961 -5.177 5.426 1.00 0.00 C ATOM 770 CD GLU A 45 3.383 -5.138 6.843 1.00 0.00 C ATOM 771 OE1 GLU A 45 2.683 -4.180 7.200 1.00 0.00 O ATOM 772 OE2 GLU A 45 3.685 -6.151 7.582 1.00 0.00 O ATOM 0 H GLU A 45 2.351 -6.877 4.089 1.00 0.00 H new ATOM 0 HA GLU A 45 1.323 -4.883 5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.342 -4.717 3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.048 -3.425 4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.136 -6.211 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.927 -4.673 5.409 1.00 0.00 H new ATOM 780 N PHE A 46 0.741 -4.287 2.475 1.00 0.00 N ATOM 781 CA PHE A 46 -0.122 -3.557 1.562 1.00 0.00 C ATOM 782 C PHE A 46 -1.591 -3.700 1.964 1.00 0.00 C ATOM 783 O PHE A 46 -2.278 -2.704 2.184 1.00 0.00 O ATOM 784 CB PHE A 46 0.076 -4.169 0.174 1.00 0.00 C ATOM 785 CG PHE A 46 0.770 -3.238 -0.823 1.00 0.00 C ATOM 786 CD1 PHE A 46 1.775 -2.423 -0.405 1.00 0.00 C ATOM 787 CD2 PHE A 46 0.382 -3.227 -2.126 1.00 0.00 C ATOM 788 CE1 PHE A 46 2.419 -1.559 -1.330 1.00 0.00 C ATOM 789 CE2 PHE A 46 1.026 -2.363 -3.051 1.00 0.00 C ATOM 790 CZ PHE A 46 2.031 -1.547 -2.634 1.00 0.00 C ATOM 0 H PHE A 46 1.442 -4.873 2.022 1.00 0.00 H new ATOM 0 HA PHE A 46 0.130 -2.497 1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.662 -5.083 0.271 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.896 -4.455 -0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.083 -2.433 0.630 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.416 -3.875 -2.458 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.217 -0.911 -0.998 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.718 -2.354 -4.086 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.521 -0.890 -3.337 1.00 0.00 H new ATOM 800 N SER A 47 -2.030 -4.947 2.048 1.00 0.00 N ATOM 801 CA SER A 47 -3.405 -5.233 2.420 1.00 0.00 C ATOM 802 C SER A 47 -3.689 -4.699 3.825 1.00 0.00 C ATOM 803 O SER A 47 -4.837 -4.413 4.164 1.00 0.00 O ATOM 804 CB SER A 47 -3.692 -6.735 2.355 1.00 0.00 C ATOM 805 OG SER A 47 -5.067 -7.026 2.592 1.00 0.00 O ATOM 0 H SER A 47 -1.458 -5.771 1.865 1.00 0.00 H new ATOM 0 HA SER A 47 -4.063 -4.733 1.709 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.404 -7.117 1.376 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.079 -7.254 3.092 1.00 0.00 H new ATOM 0 HG SER A 47 -5.210 -7.994 2.541 1.00 0.00 H new ATOM 811 N GLU A 48 -2.625 -4.580 4.605 1.00 0.00 N ATOM 812 CA GLU A 48 -2.745 -4.084 5.966 1.00 0.00 C ATOM 813 C GLU A 48 -2.871 -2.559 5.966 1.00 0.00 C ATOM 814 O GLU A 48 -3.690 -2.001 6.694 1.00 0.00 O ATOM 815 CB GLU A 48 -1.561 -4.537 6.821 1.00 0.00 C ATOM 816 CG GLU A 48 -2.007 -4.865 8.247 1.00 0.00 C ATOM 817 CD GLU A 48 -2.675 -6.240 8.311 1.00 0.00 C ATOM 818 OE1 GLU A 48 -3.891 -6.349 8.093 1.00 0.00 O ATOM 819 OE2 GLU A 48 -1.884 -7.217 8.597 1.00 0.00 O ATOM 0 H GLU A 48 -1.675 -4.819 4.321 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.650 -4.503 6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.097 -5.415 6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.804 -3.753 6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.146 -4.844 8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.702 -4.103 8.599 1.00 0.00 H new ATOM 827 N ILE A 49 -2.047 -1.929 5.142 1.00 0.00 N ATOM 828 CA ILE A 49 -2.055 -0.480 5.039 1.00 0.00 C ATOM 829 C ILE A 49 -3.274 -0.038 4.226 1.00 0.00 C ATOM 830 O ILE A 49 -3.985 0.885 4.619 1.00 0.00 O ATOM 831 CB ILE A 49 -0.725 0.025 4.476 1.00 0.00 C ATOM 832 CG1 ILE A 49 0.082 0.757 5.550 1.00 0.00 C ATOM 833 CG2 ILE A 49 -0.948 0.892 3.236 1.00 0.00 C ATOM 834 CD1 ILE A 49 1.398 1.289 4.979 1.00 0.00 C ATOM 0 H ILE A 49 -1.369 -2.396 4.539 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.148 -0.029 6.027 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.137 -0.838 4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.505 1.583 5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.288 0.080 6.379 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.013 1.238 2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.452 0.306 2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.565 1.752 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.952 1.805 5.763 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.993 0.458 4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.187 1.984 4.166 1.00 0.00 H new ATOM 846 N LEU A 50 -3.478 -0.719 3.108 1.00 0.00 N ATOM 847 CA LEU A 50 -4.598 -0.408 2.236 1.00 0.00 C ATOM 848 C LEU A 50 -5.890 -0.398 3.057 1.00 0.00 C ATOM 849 O LEU A 50 -6.819 0.347 2.750 1.00 0.00 O ATOM 850 CB LEU A 50 -4.634 -1.369 1.046 1.00 0.00 C ATOM 851 CG LEU A 50 -3.551 -1.163 -0.015 1.00 0.00 C ATOM 852 CD1 LEU A 50 -3.539 -2.318 -1.018 1.00 0.00 C ATOM 853 CD2 LEU A 50 -3.709 0.194 -0.704 1.00 0.00 C ATOM 0 H LEU A 50 -2.887 -1.485 2.786 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.483 0.588 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.555 -2.388 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.608 -1.283 0.564 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.581 -1.160 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.760 -2.147 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.341 -3.253 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.507 -2.379 -1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.927 0.315 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.685 0.246 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.628 0.990 0.037 1.00 0.00 H new ATOM 865 N GLU A 51 -5.906 -1.234 4.085 1.00 0.00 N ATOM 866 CA GLU A 51 -7.068 -1.330 4.952 1.00 0.00 C ATOM 867 C GLU A 51 -7.725 0.042 5.114 1.00 0.00 C ATOM 868 O GLU A 51 -8.948 0.143 5.194 1.00 0.00 O ATOM 869 CB GLU A 51 -6.690 -1.920 6.312 1.00 0.00 C ATOM 870 CG GLU A 51 -6.475 -3.432 6.213 1.00 0.00 C ATOM 871 CD GLU A 51 -7.380 -4.180 7.193 1.00 0.00 C ATOM 872 OE1 GLU A 51 -7.416 -3.842 8.386 1.00 0.00 O ATOM 873 OE2 GLU A 51 -8.064 -5.144 6.677 1.00 0.00 O ATOM 0 H GLU A 51 -5.133 -1.851 4.337 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.788 -2.003 4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.781 -1.443 6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.477 -1.708 7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.680 -3.766 5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.432 -3.669 6.422 1.00 0.00 H new ATOM 881 N PHE A 52 -6.883 1.064 5.157 1.00 0.00 N ATOM 882 CA PHE A 52 -7.367 2.426 5.308 1.00 0.00 C ATOM 883 C PHE A 52 -7.729 3.033 3.951 1.00 0.00 C ATOM 884 O PHE A 52 -7.111 2.709 2.938 1.00 0.00 O ATOM 885 CB PHE A 52 -6.230 3.239 5.930 1.00 0.00 C ATOM 886 CG PHE A 52 -6.230 3.240 7.460 1.00 0.00 C ATOM 887 CD1 PHE A 52 -5.903 2.110 8.141 1.00 0.00 C ATOM 888 CD2 PHE A 52 -6.557 4.373 8.139 1.00 0.00 C ATOM 889 CE1 PHE A 52 -5.903 2.111 9.561 1.00 0.00 C ATOM 890 CE2 PHE A 52 -6.557 4.374 9.559 1.00 0.00 C ATOM 891 CZ PHE A 52 -6.230 3.243 10.240 1.00 0.00 C ATOM 0 H PHE A 52 -5.869 0.976 5.090 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.262 2.436 5.931 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.278 2.842 5.577 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.297 4.268 5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.643 1.211 7.602 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.816 5.271 7.598 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.643 1.213 10.102 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.817 5.273 10.098 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.230 3.244 11.320 1.00 0.00 H new ATOM 901 N GLN A 53 -8.728 3.902 3.975 1.00 0.00 N ATOM 902 CA GLN A 53 -9.180 4.557 2.759 1.00 0.00 C ATOM 903 C GLN A 53 -8.179 5.633 2.333 1.00 0.00 C ATOM 904 O GLN A 53 -7.369 6.088 3.140 1.00 0.00 O ATOM 905 CB GLN A 53 -10.578 5.151 2.942 1.00 0.00 C ATOM 906 CG GLN A 53 -11.396 4.328 3.939 1.00 0.00 C ATOM 907 CD GLN A 53 -12.842 4.170 3.463 1.00 0.00 C ATOM 908 OE1 GLN A 53 -13.648 5.083 3.528 1.00 0.00 O ATOM 909 NE2 GLN A 53 -13.124 2.962 2.983 1.00 0.00 N ATOM 0 H GLN A 53 -9.238 4.168 4.817 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.240 3.809 1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.497 6.180 3.294 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.093 5.182 1.982 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.941 3.345 4.065 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.381 4.813 4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.402 2.242 2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -14.062 2.755 2.641 1.00 0.00 H new ATOM 918 N ASP A 54 -8.268 6.010 1.065 1.00 0.00 N ATOM 919 CA ASP A 54 -7.380 7.024 0.522 1.00 0.00 C ATOM 920 C ASP A 54 -7.411 8.259 1.425 1.00 0.00 C ATOM 921 O ASP A 54 -6.365 8.811 1.765 1.00 0.00 O ATOM 922 CB ASP A 54 -7.823 7.451 -0.878 1.00 0.00 C ATOM 923 CG ASP A 54 -7.545 6.431 -1.984 1.00 0.00 C ATOM 924 OD1 ASP A 54 -7.329 6.794 -3.149 1.00 0.00 O ATOM 925 OD2 ASP A 54 -7.556 5.198 -1.603 1.00 0.00 O ATOM 0 H ASP A 54 -8.941 5.631 0.399 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.377 6.601 0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.893 7.658 -0.857 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.322 8.385 -1.132 1.00 0.00 H new ATOM 931 N GLN A 55 -8.621 8.657 1.788 1.00 0.00 N ATOM 932 CA GLN A 55 -8.802 9.817 2.645 1.00 0.00 C ATOM 933 C GLN A 55 -7.818 9.771 3.815 1.00 0.00 C ATOM 934 O GLN A 55 -6.998 10.674 3.977 1.00 0.00 O ATOM 935 CB GLN A 55 -10.245 9.909 3.145 1.00 0.00 C ATOM 936 CG GLN A 55 -10.680 11.368 3.301 1.00 0.00 C ATOM 937 CD GLN A 55 -10.826 11.742 4.777 1.00 0.00 C ATOM 938 OE1 GLN A 55 -11.007 10.901 5.642 1.00 0.00 O ATOM 939 NE2 GLN A 55 -10.739 13.047 5.016 1.00 0.00 N ATOM 0 H GLN A 55 -9.486 8.197 1.504 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.597 10.713 2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.909 9.401 2.446 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.336 9.395 4.102 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.948 12.022 2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.628 11.525 2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.587 13.698 4.245 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.825 13.398 5.970 1.00 0.00 H new ATOM 948 N GLU A 56 -7.931 8.710 4.601 1.00 0.00 N ATOM 949 CA GLU A 56 -7.061 8.535 5.751 1.00 0.00 C ATOM 950 C GLU A 56 -5.609 8.370 5.299 1.00 0.00 C ATOM 951 O GLU A 56 -4.694 8.892 5.933 1.00 0.00 O ATOM 952 CB GLU A 56 -7.510 7.344 6.601 1.00 0.00 C ATOM 953 CG GLU A 56 -8.979 7.481 7.006 1.00 0.00 C ATOM 954 CD GLU A 56 -9.107 8.005 8.437 1.00 0.00 C ATOM 955 OE1 GLU A 56 -9.289 9.215 8.641 1.00 0.00 O ATOM 956 OE2 GLU A 56 -9.012 7.106 9.357 1.00 0.00 O ATOM 0 H GLU A 56 -8.612 7.963 4.464 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.127 9.429 6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.368 6.419 6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.888 7.275 7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.487 8.159 6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.474 6.514 6.924 1.00 0.00 H new ATOM 964 N LEU A 57 -5.443 7.641 4.204 1.00 0.00 N ATOM 965 CA LEU A 57 -4.118 7.401 3.659 1.00 0.00 C ATOM 966 C LEU A 57 -3.427 8.741 3.399 1.00 0.00 C ATOM 967 O LEU A 57 -2.383 9.028 3.982 1.00 0.00 O ATOM 968 CB LEU A 57 -4.202 6.502 2.424 1.00 0.00 C ATOM 969 CG LEU A 57 -2.865 6.059 1.825 1.00 0.00 C ATOM 970 CD1 LEU A 57 -2.055 5.245 2.836 1.00 0.00 C ATOM 971 CD2 LEU A 57 -3.077 5.298 0.514 1.00 0.00 C ATOM 0 H LEU A 57 -6.204 7.209 3.680 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.503 6.860 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.773 5.611 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.766 7.028 1.654 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.284 6.950 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.110 4.942 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.858 5.853 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.619 4.358 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.112 4.995 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.686 4.414 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.585 5.943 -0.203 1.00 0.00 H new ATOM 983 N LEU A 58 -4.039 9.525 2.524 1.00 0.00 N ATOM 984 CA LEU A 58 -3.495 10.828 2.179 1.00 0.00 C ATOM 985 C LEU A 58 -3.193 11.605 3.462 1.00 0.00 C ATOM 986 O LEU A 58 -2.047 11.975 3.712 1.00 0.00 O ATOM 987 CB LEU A 58 -4.435 11.564 1.222 1.00 0.00 C ATOM 988 CG LEU A 58 -3.761 12.377 0.115 1.00 0.00 C ATOM 989 CD1 LEU A 58 -3.019 11.464 -0.862 1.00 0.00 C ATOM 990 CD2 LEU A 58 -4.774 13.276 -0.598 1.00 0.00 C ATOM 0 H LEU A 58 -4.906 9.284 2.044 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.553 10.718 1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.095 10.832 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.065 12.235 1.807 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.018 13.029 0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.549 12.067 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.254 10.903 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.725 10.770 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.270 13.843 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.556 12.661 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.218 13.965 0.121 1.00 0.00 H new ATOM 1002 N ALA A 59 -4.241 11.829 4.242 1.00 0.00 N ATOM 1003 CA ALA A 59 -4.101 12.555 5.493 1.00 0.00 C ATOM 1004 C ALA A 59 -2.956 11.948 6.305 1.00 0.00 C ATOM 1005 O ALA A 59 -2.123 12.672 6.847 1.00 0.00 O ATOM 1006 CB ALA A 59 -5.431 12.529 6.249 1.00 0.00 C ATOM 0 H ALA A 59 -5.190 11.521 4.032 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.853 13.600 5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.327 13.073 7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.204 12.999 5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.711 11.496 6.458 1.00 0.00 H new ATOM 1012 N LEU A 60 -2.951 10.624 6.364 1.00 0.00 N ATOM 1013 CA LEU A 60 -1.922 9.911 7.101 1.00 0.00 C ATOM 1014 C LEU A 60 -0.546 10.435 6.683 1.00 0.00 C ATOM 1015 O LEU A 60 0.203 10.952 7.511 1.00 0.00 O ATOM 1016 CB LEU A 60 -2.084 8.400 6.923 1.00 0.00 C ATOM 1017 CG LEU A 60 -2.817 7.667 8.048 1.00 0.00 C ATOM 1018 CD1 LEU A 60 -3.693 6.543 7.491 1.00 0.00 C ATOM 1019 CD2 LEU A 60 -1.833 7.158 9.103 1.00 0.00 C ATOM 0 H LEU A 60 -3.644 10.026 5.913 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.023 10.095 8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.618 8.219 5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.093 7.959 6.814 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.480 8.377 8.542 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.203 6.038 8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.432 6.962 6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.069 5.827 6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.380 6.641 9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.127 6.469 8.640 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.290 8.001 9.531 1.00 0.00 H new ATOM 1031 N ILE A 61 -0.256 10.284 5.399 1.00 0.00 N ATOM 1032 CA ILE A 61 1.017 10.736 4.862 1.00 0.00 C ATOM 1033 C ILE A 61 1.230 12.205 5.235 1.00 0.00 C ATOM 1034 O ILE A 61 2.327 12.595 5.632 1.00 0.00 O ATOM 1035 CB ILE A 61 1.089 10.466 3.358 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.289 8.976 3.077 1.00 0.00 C ATOM 1037 CG2 ILE A 61 2.171 11.324 2.698 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.257 8.692 1.574 1.00 0.00 C ATOM 0 H ILE A 61 -0.880 9.855 4.715 1.00 0.00 H new ATOM 0 HA ILE A 61 1.839 10.173 5.303 1.00 0.00 H new ATOM 0 HB ILE A 61 0.136 10.752 2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.242 8.649 3.492 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.509 8.400 3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.201 11.113 1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.944 12.379 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.140 11.092 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.402 7.625 1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.293 8.998 1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.053 9.250 1.081 1.00 0.00 H new ATOM 1050 N ASN A 62 0.164 12.979 5.094 1.00 0.00 N ATOM 1051 CA ASN A 62 0.221 14.396 5.410 1.00 0.00 C ATOM 1052 C ASN A 62 0.476 14.569 6.909 1.00 0.00 C ATOM 1053 O ASN A 62 0.956 15.615 7.344 1.00 0.00 O ATOM 1054 CB ASN A 62 -1.100 15.089 5.072 1.00 0.00 C ATOM 1055 CG ASN A 62 -1.052 15.709 3.674 1.00 0.00 C ATOM 1056 OD1 ASN A 62 -0.889 16.906 3.503 1.00 0.00 O ATOM 1057 ND2 ASN A 62 -1.202 14.830 2.687 1.00 0.00 N ATOM 0 H ASN A 62 -0.744 12.652 4.765 1.00 0.00 H new ATOM 0 HA ASN A 62 1.023 14.841 4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.917 14.369 5.127 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.308 15.864 5.810 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.184 15.145 1.717 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.335 13.841 2.900 1.00 0.00 H new ATOM 1064 N GLY A 63 0.144 13.528 7.658 1.00 0.00 N ATOM 1065 CA GLY A 63 0.331 13.552 9.098 1.00 0.00 C ATOM 1066 C GLY A 63 -0.969 13.928 9.814 1.00 0.00 C ATOM 1067 O GLY A 63 -0.940 14.543 10.878 1.00 0.00 O ATOM 0 H GLY A 63 -0.254 12.662 7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.669 12.574 9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.112 14.268 9.355 1.00 0.00 H new ATOM 1071 N HIS A 64 -2.078 13.542 9.200 1.00 0.00 N ATOM 1072 CA HIS A 64 -3.385 13.831 9.764 1.00 0.00 C ATOM 1073 C HIS A 64 -3.822 12.674 10.666 1.00 0.00 C ATOM 1074 O HIS A 64 -3.541 12.676 11.863 1.00 0.00 O ATOM 1075 CB HIS A 64 -4.398 14.137 8.660 1.00 0.00 C ATOM 1076 CG HIS A 64 -4.763 15.598 8.548 1.00 0.00 C ATOM 1077 ND1 HIS A 64 -3.838 16.616 8.708 1.00 0.00 N ATOM 1078 CD2 HIS A 64 -5.958 16.201 8.291 1.00 0.00 C ATOM 1079 CE1 HIS A 64 -4.461 17.775 8.552 1.00 0.00 C ATOM 1080 NE2 HIS A 64 -5.775 17.516 8.294 1.00 0.00 N ATOM 0 H HIS A 64 -2.098 13.031 8.317 1.00 0.00 H new ATOM 0 HA HIS A 64 -3.328 14.727 10.382 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.993 13.800 7.706 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -5.304 13.560 8.843 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.895 15.695 8.115 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.008 18.753 8.618 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.498 18.217 8.130 1.00 0.00 H new ATOM 1088 N SER A 65 -4.501 11.714 10.055 1.00 0.00 N ATOM 1089 CA SER A 65 -4.979 10.554 10.787 1.00 0.00 C ATOM 1090 C SER A 65 -3.797 9.795 11.395 1.00 0.00 C ATOM 1091 O SER A 65 -2.642 10.104 11.107 1.00 0.00 O ATOM 1092 CB SER A 65 -5.794 9.629 9.882 1.00 0.00 C ATOM 1093 OG SER A 65 -7.049 10.202 9.525 1.00 0.00 O ATOM 0 H SER A 65 -4.731 11.716 9.061 1.00 0.00 H new ATOM 0 HA SER A 65 -5.631 10.901 11.589 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.224 9.412 8.978 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.960 8.679 10.390 1.00 0.00 H new ATOM 0 HG SER A 65 -7.754 9.528 9.616 1.00 0.00 H new ATOM 1099 N GLU A 66 -4.128 8.817 12.225 1.00 0.00 N ATOM 1100 CA GLU A 66 -3.108 8.012 12.876 1.00 0.00 C ATOM 1101 C GLU A 66 -3.237 6.547 12.452 1.00 0.00 C ATOM 1102 O GLU A 66 -4.196 6.175 11.777 1.00 0.00 O ATOM 1103 CB GLU A 66 -3.188 8.151 14.397 1.00 0.00 C ATOM 1104 CG GLU A 66 -2.315 9.307 14.889 1.00 0.00 C ATOM 1105 CD GLU A 66 -0.858 9.114 14.462 1.00 0.00 C ATOM 1106 OE1 GLU A 66 -0.132 8.321 15.079 1.00 0.00 O ATOM 1107 OE2 GLU A 66 -0.488 9.823 13.450 1.00 0.00 O ATOM 0 H GLU A 66 -5.087 8.564 12.462 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.130 8.376 12.562 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.223 8.319 14.696 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.867 7.222 14.868 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.693 10.248 14.490 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.373 9.375 15.975 1.00 0.00 H new ATOM 1115 N THR A 67 -2.258 5.756 12.865 1.00 0.00 N ATOM 1116 CA THR A 67 -2.250 4.341 12.536 1.00 0.00 C ATOM 1117 C THR A 67 -2.257 3.497 13.812 1.00 0.00 C ATOM 1118 O THR A 67 -1.351 3.605 14.637 1.00 0.00 O ATOM 1119 CB THR A 67 -1.043 4.071 11.635 1.00 0.00 C ATOM 1120 OG1 THR A 67 -1.249 2.741 11.167 1.00 0.00 O ATOM 1121 CG2 THR A 67 0.267 3.990 12.421 1.00 0.00 C ATOM 0 H THR A 67 -1.465 6.068 13.425 1.00 0.00 H new ATOM 0 HA THR A 67 -3.150 4.057 11.991 1.00 0.00 H new ATOM 0 HB THR A 67 -0.968 4.857 10.884 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.565 2.151 11.547 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.092 3.797 11.735 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.439 4.933 12.939 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.205 3.182 13.150 1.00 0.00 H new ATOM 1129 N ASP A 68 -3.289 2.675 13.934 1.00 0.00 N ATOM 1130 CA ASP A 68 -3.425 1.813 15.096 1.00 0.00 C ATOM 1131 C ASP A 68 -2.454 0.637 14.970 1.00 0.00 C ATOM 1132 O ASP A 68 -2.387 -0.215 15.854 1.00 0.00 O ATOM 1133 CB ASP A 68 -4.843 1.246 15.198 1.00 0.00 C ATOM 1134 CG ASP A 68 -5.376 1.091 16.623 1.00 0.00 C ATOM 1135 OD1 ASP A 68 -4.750 1.545 17.592 1.00 0.00 O ATOM 1136 OD2 ASP A 68 -6.500 0.465 16.720 1.00 0.00 O ATOM 0 H ASP A 68 -4.039 2.588 13.248 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.209 2.407 15.984 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.519 1.896 14.642 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.864 0.272 14.710 1.00 0.00 H new ATOM 1142 N LYS A 69 -1.726 0.629 13.863 1.00 0.00 N ATOM 1143 CA LYS A 69 -0.761 -0.429 13.610 1.00 0.00 C ATOM 1144 C LYS A 69 0.590 0.194 13.252 1.00 0.00 C ATOM 1145 O LYS A 69 0.720 0.851 12.220 1.00 0.00 O ATOM 1146 CB LYS A 69 -1.293 -1.396 12.551 1.00 0.00 C ATOM 1147 CG LYS A 69 -2.690 -1.899 12.919 1.00 0.00 C ATOM 1148 CD LYS A 69 -3.770 -0.956 12.387 1.00 0.00 C ATOM 1149 CE LYS A 69 -5.162 -1.571 12.547 1.00 0.00 C ATOM 1150 NZ LYS A 69 -6.186 -0.509 12.671 1.00 0.00 N ATOM 0 H LYS A 69 -1.784 1.337 13.131 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.608 -1.028 14.507 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.326 -0.898 11.582 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.613 -2.242 12.451 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.840 -2.898 12.509 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.777 -1.983 14.002 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.724 -0.007 12.921 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.583 -0.739 11.335 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.388 -2.204 11.689 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.184 -2.211 13.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.570 -0.508 13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.754 0.415 12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.954 -0.687 11.993 1.00 0.00 H new ATOM 1163 N GLY A 70 1.560 -0.034 14.124 1.00 0.00 N ATOM 1164 CA GLY A 70 2.896 0.496 13.913 1.00 0.00 C ATOM 1165 C GLY A 70 3.582 -0.198 12.735 1.00 0.00 C ATOM 1166 O GLY A 70 4.685 0.180 12.343 1.00 0.00 O ATOM 0 H GLY A 70 1.448 -0.579 14.979 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.840 1.568 13.725 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.491 0.361 14.816 1.00 0.00 H new ATOM 1170 N HIS A 71 2.900 -1.201 12.202 1.00 0.00 N ATOM 1171 CA HIS A 71 3.429 -1.952 11.076 1.00 0.00 C ATOM 1172 C HIS A 71 3.123 -1.208 9.774 1.00 0.00 C ATOM 1173 O HIS A 71 3.422 -1.702 8.688 1.00 0.00 O ATOM 1174 CB HIS A 71 2.896 -3.385 11.080 1.00 0.00 C ATOM 1175 CG HIS A 71 3.605 -4.302 12.047 1.00 0.00 C ATOM 1176 ND1 HIS A 71 2.982 -4.852 13.154 1.00 0.00 N ATOM 1177 CD2 HIS A 71 4.890 -4.760 12.062 1.00 0.00 C ATOM 1178 CE1 HIS A 71 3.861 -5.605 13.799 1.00 0.00 C ATOM 1179 NE2 HIS A 71 5.044 -5.546 13.121 1.00 0.00 N ATOM 0 H HIS A 71 1.985 -1.511 12.529 1.00 0.00 H new ATOM 0 HA HIS A 71 4.513 -2.030 11.163 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.834 -3.366 11.326 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.983 -3.797 10.075 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.653 -4.523 11.335 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.674 -6.167 14.702 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.904 -6.026 13.384 1.00 0.00 H new ATOM 1187 N LEU A 72 2.531 -0.033 9.927 1.00 0.00 N ATOM 1188 CA LEU A 72 2.181 0.783 8.777 1.00 0.00 C ATOM 1189 C LEU A 72 3.111 1.997 8.716 1.00 0.00 C ATOM 1190 O LEU A 72 3.535 2.404 7.636 1.00 0.00 O ATOM 1191 CB LEU A 72 0.695 1.149 8.812 1.00 0.00 C ATOM 1192 CG LEU A 72 -0.257 0.043 9.273 1.00 0.00 C ATOM 1193 CD1 LEU A 72 -1.692 0.563 9.374 1.00 0.00 C ATOM 1194 CD2 LEU A 72 -0.154 -1.184 8.365 1.00 0.00 C ATOM 0 H LEU A 72 2.285 0.373 10.830 1.00 0.00 H new ATOM 0 HA LEU A 72 2.327 0.222 7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.568 2.008 9.471 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.395 1.466 7.813 1.00 0.00 H new ATOM 0 HG LEU A 72 0.043 -0.271 10.273 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.348 -0.242 9.703 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.733 1.381 10.093 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.019 0.921 8.398 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.841 -1.954 8.715 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.413 -0.904 7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.865 -1.569 8.388 1.00 0.00 H new ATOM 1206 N ILE A 73 3.401 2.539 9.889 1.00 0.00 N ATOM 1207 CA ILE A 73 4.273 3.698 9.983 1.00 0.00 C ATOM 1208 C ILE A 73 5.444 3.529 9.012 1.00 0.00 C ATOM 1209 O ILE A 73 5.738 4.429 8.227 1.00 0.00 O ATOM 1210 CB ILE A 73 4.705 3.928 11.433 1.00 0.00 C ATOM 1211 CG1 ILE A 73 3.735 4.868 12.151 1.00 0.00 C ATOM 1212 CG2 ILE A 73 6.148 4.431 11.502 1.00 0.00 C ATOM 1213 CD1 ILE A 73 4.415 5.558 13.335 1.00 0.00 C ATOM 0 H ILE A 73 3.048 2.197 10.783 1.00 0.00 H new ATOM 0 HA ILE A 73 3.740 4.601 9.687 1.00 0.00 H new ATOM 0 HB ILE A 73 4.673 2.972 11.955 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.365 5.618 11.452 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.870 4.305 12.501 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.430 4.586 12.543 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.812 3.693 11.053 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.231 5.373 10.959 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.703 6.220 13.828 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.762 4.806 14.044 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.265 6.140 12.978 1.00 0.00 H new ATOM 1225 N PRO A 74 6.097 2.339 9.101 1.00 0.00 N ATOM 1226 CA PRO A 74 7.229 2.041 8.240 1.00 0.00 C ATOM 1227 C PRO A 74 6.766 1.721 6.817 1.00 0.00 C ATOM 1228 O PRO A 74 7.222 2.341 5.858 1.00 0.00 O ATOM 1229 CB PRO A 74 7.937 0.876 8.911 1.00 0.00 C ATOM 1230 CG PRO A 74 6.923 0.265 9.865 1.00 0.00 C ATOM 1231 CD PRO A 74 5.776 1.251 10.019 1.00 0.00 C ATOM 0 HA PRO A 74 7.905 2.888 8.125 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.270 0.145 8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.823 1.214 9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.559 -0.687 9.477 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.383 0.060 10.832 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.821 0.790 9.768 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.697 1.609 11.045 1.00 0.00 H new ATOM 1239 N MET A 75 5.866 0.753 6.725 1.00 0.00 N ATOM 1240 CA MET A 75 5.337 0.343 5.436 1.00 0.00 C ATOM 1241 C MET A 75 4.825 1.548 4.645 1.00 0.00 C ATOM 1242 O MET A 75 4.730 1.496 3.419 1.00 0.00 O ATOM 1243 CB MET A 75 4.194 -0.652 5.646 1.00 0.00 C ATOM 1244 CG MET A 75 4.727 -2.081 5.770 1.00 0.00 C ATOM 1245 SD MET A 75 6.149 -2.111 6.848 1.00 0.00 S ATOM 1246 CE MET A 75 7.151 -3.324 6.005 1.00 0.00 C ATOM 0 H MET A 75 5.490 0.241 7.523 1.00 0.00 H new ATOM 0 HA MET A 75 6.140 -0.127 4.868 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.638 -0.388 6.546 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.496 -0.591 4.811 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.949 -2.735 6.163 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.998 -2.463 4.786 1.00 0.00 H new ATOM 0 HE1 MET A 75 8.163 -2.939 5.884 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.180 -4.243 6.591 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.722 -3.532 5.025 1.00 0.00 H new ATOM 1256 N LEU A 76 4.509 2.606 5.378 1.00 0.00 N ATOM 1257 CA LEU A 76 4.010 3.823 4.760 1.00 0.00 C ATOM 1258 C LEU A 76 5.170 4.564 4.093 1.00 0.00 C ATOM 1259 O LEU A 76 4.995 5.184 3.045 1.00 0.00 O ATOM 1260 CB LEU A 76 3.246 4.667 5.781 1.00 0.00 C ATOM 1261 CG LEU A 76 1.723 4.511 5.776 1.00 0.00 C ATOM 1262 CD1 LEU A 76 1.085 5.332 6.898 1.00 0.00 C ATOM 1263 CD2 LEU A 76 1.140 4.862 4.406 1.00 0.00 C ATOM 0 H LEU A 76 4.589 2.646 6.394 1.00 0.00 H new ATOM 0 HA LEU A 76 3.291 3.585 3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.614 4.418 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.484 5.716 5.607 1.00 0.00 H new ATOM 0 HG LEU A 76 1.486 3.464 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.003 5.204 6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.468 4.992 7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.329 6.386 6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.057 4.743 4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.386 5.895 4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.561 4.199 3.651 1.00 0.00 H new ATOM 1275 N GLU A 77 6.329 4.476 4.728 1.00 0.00 N ATOM 1276 CA GLU A 77 7.518 5.131 4.209 1.00 0.00 C ATOM 1277 C GLU A 77 7.888 4.554 2.841 1.00 0.00 C ATOM 1278 O GLU A 77 8.006 5.292 1.864 1.00 0.00 O ATOM 1279 CB GLU A 77 8.686 5.006 5.190 1.00 0.00 C ATOM 1280 CG GLU A 77 8.654 6.131 6.226 1.00 0.00 C ATOM 1281 CD GLU A 77 7.390 6.051 7.085 1.00 0.00 C ATOM 1282 OE1 GLU A 77 6.273 6.136 6.553 1.00 0.00 O ATOM 1283 OE2 GLU A 77 7.598 5.894 8.348 1.00 0.00 O ATOM 0 H GLU A 77 6.470 3.961 5.597 1.00 0.00 H new ATOM 0 HA GLU A 77 7.300 6.192 4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.640 4.041 5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.629 5.036 4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.536 6.068 6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.694 7.096 5.721 1.00 0.00 H new ATOM 1291 N LYS A 78 8.060 3.241 2.815 1.00 0.00 N ATOM 1292 CA LYS A 78 8.414 2.557 1.582 1.00 0.00 C ATOM 1293 C LYS A 78 7.343 2.834 0.525 1.00 0.00 C ATOM 1294 O LYS A 78 7.655 2.979 -0.656 1.00 0.00 O ATOM 1295 CB LYS A 78 8.649 1.068 1.844 1.00 0.00 C ATOM 1296 CG LYS A 78 7.365 0.386 2.320 1.00 0.00 C ATOM 1297 CD LYS A 78 7.056 -0.852 1.475 1.00 0.00 C ATOM 1298 CE LYS A 78 7.248 -2.133 2.288 1.00 0.00 C ATOM 1299 NZ LYS A 78 6.541 -3.265 1.647 1.00 0.00 N ATOM 0 H LYS A 78 7.961 2.632 3.627 1.00 0.00 H new ATOM 0 HA LYS A 78 9.356 2.941 1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.005 0.586 0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.430 0.946 2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.467 0.100 3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.533 1.088 2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.031 -0.800 1.109 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.706 -0.871 0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.310 -2.361 2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.872 -1.988 3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.448 -4.046 2.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.596 -2.956 1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.082 -3.589 0.820 1.00 0.00 H new ATOM 1312 N ILE A 79 6.103 2.899 0.988 1.00 0.00 N ATOM 1313 CA ILE A 79 4.984 3.155 0.096 1.00 0.00 C ATOM 1314 C ILE A 79 5.033 4.612 -0.370 1.00 0.00 C ATOM 1315 O ILE A 79 5.058 4.882 -1.570 1.00 0.00 O ATOM 1316 CB ILE A 79 3.665 2.769 0.768 1.00 0.00 C ATOM 1317 CG1 ILE A 79 3.606 1.263 1.034 1.00 0.00 C ATOM 1318 CG2 ILE A 79 2.469 3.252 -0.055 1.00 0.00 C ATOM 1319 CD1 ILE A 79 2.567 0.937 2.109 1.00 0.00 C ATOM 0 H ILE A 79 5.848 2.779 1.968 1.00 0.00 H new ATOM 0 HA ILE A 79 5.056 2.532 -0.795 1.00 0.00 H new ATOM 0 HB ILE A 79 3.614 3.270 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.358 0.737 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.586 0.907 1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.544 2.965 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.508 4.337 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.502 2.799 -1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.545 -0.139 2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.831 1.446 3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.584 1.272 1.778 1.00 0.00 H new ATOM 1331 N ARG A 80 5.046 5.511 0.603 1.00 0.00 N ATOM 1332 CA ARG A 80 5.091 6.933 0.307 1.00 0.00 C ATOM 1333 C ARG A 80 6.021 7.199 -0.878 1.00 0.00 C ATOM 1334 O ARG A 80 5.640 7.877 -1.831 1.00 0.00 O ATOM 1335 CB ARG A 80 5.578 7.732 1.517 1.00 0.00 C ATOM 1336 CG ARG A 80 4.399 8.222 2.361 1.00 0.00 C ATOM 1337 CD ARG A 80 4.861 8.641 3.758 1.00 0.00 C ATOM 1338 NE ARG A 80 5.830 9.755 3.658 1.00 0.00 N ATOM 1339 CZ ARG A 80 6.057 10.651 4.641 1.00 0.00 C ATOM 1340 NH1 ARG A 80 5.386 10.571 5.810 1.00 0.00 N ATOM 1341 NH2 ARG A 80 6.946 11.607 4.443 1.00 0.00 N ATOM 0 H ARG A 80 5.026 5.282 1.597 1.00 0.00 H new ATOM 0 HA ARG A 80 4.079 7.252 0.058 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.234 7.111 2.127 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.168 8.584 1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.918 9.065 1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.653 7.432 2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.003 8.947 4.357 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.320 7.794 4.268 1.00 0.00 H new ATOM 0 HE ARG A 80 6.360 9.852 2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.701 9.829 5.955 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.564 11.253 6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.449 11.660 3.557 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.130 12.292 5.176 1.00 0.00 H new ATOM 1354 N ARG A 81 7.223 6.650 -0.781 1.00 0.00 N ATOM 1355 CA ARG A 81 8.211 6.820 -1.833 1.00 0.00 C ATOM 1356 C ARG A 81 7.618 6.420 -3.186 1.00 0.00 C ATOM 1357 O ARG A 81 7.691 7.183 -4.149 1.00 0.00 O ATOM 1358 CB ARG A 81 9.457 5.975 -1.561 1.00 0.00 C ATOM 1359 CG ARG A 81 10.712 6.656 -2.110 1.00 0.00 C ATOM 1360 CD ARG A 81 11.620 5.645 -2.814 1.00 0.00 C ATOM 1361 NE ARG A 81 12.852 5.434 -2.021 1.00 0.00 N ATOM 1362 CZ ARG A 81 13.983 4.884 -2.512 1.00 0.00 C ATOM 1363 NH1 ARG A 81 14.048 4.484 -3.800 1.00 0.00 N ATOM 1364 NH2 ARG A 81 15.025 4.743 -1.714 1.00 0.00 N ATOM 0 H ARG A 81 7.535 6.087 0.010 1.00 0.00 H new ATOM 0 HA ARG A 81 8.497 7.872 -1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.565 5.815 -0.488 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.342 4.993 -2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.427 7.443 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.257 7.134 -1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.094 4.699 -2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.876 6.006 -3.810 1.00 0.00 H new ATOM 0 HE ARG A 81 12.846 5.722 -1.043 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.239 4.596 -4.410 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.907 4.069 -4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.968 5.048 -0.742 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.887 4.329 -2.069 1.00 0.00 H new ATOM 1377 N ALA A 82 7.046 5.226 -3.217 1.00 0.00 N ATOM 1378 CA ALA A 82 6.441 4.717 -4.436 1.00 0.00 C ATOM 1379 C ALA A 82 5.258 5.605 -4.823 1.00 0.00 C ATOM 1380 O ALA A 82 4.918 5.714 -6.000 1.00 0.00 O ATOM 1381 CB ALA A 82 6.032 3.257 -4.231 1.00 0.00 C ATOM 0 H ALA A 82 6.989 4.596 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 82 7.155 4.743 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.578 2.875 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.913 2.663 -3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.313 3.192 -3.414 1.00 0.00 H new