USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 THR OG1 : rot 24:sc= 0.0699! USER MOD Set 1.2: A 59 TYR OH : rot -166:sc= 0.597 USER MOD Single : A 9 CYS SG : rot 178:sc= 0.00865 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= 0.0786 (180deg=0.0543) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -0.402 K(o=-0.4,f=-4.5!) USER MOD Single : A 67 MET CE :methyl 141:sc= -0.153 (180deg=-2.06!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 165:sc=-0.00827 (180deg=-0.135) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.0542 F(o=-0.76,f=-0.054) USER MOD Single : A 83 GLN : amide:sc= -0.445 K(o=-0.45,f=-9.6!) USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 9 -0.017 7.057 5.497 1.00 0.00 N ATOM 81 CA CYS A 9 -0.961 6.513 4.528 1.00 0.00 C ATOM 82 C CYS A 9 -0.345 5.345 3.765 1.00 0.00 C ATOM 83 O CYS A 9 0.645 5.510 3.051 1.00 0.00 O ATOM 84 CB CYS A 9 -1.403 7.602 3.549 1.00 0.00 C ATOM 85 SG CYS A 9 -3.063 7.359 2.874 1.00 0.00 S ATOM 0 HA CYS A 9 -1.832 6.148 5.072 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.366 8.567 4.055 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.690 7.646 2.725 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.364 8.353 2.092 1.00 0.00 H new ATOM 91 N ARG A 10 -0.936 4.165 3.921 1.00 0.00 N ATOM 92 CA ARG A 10 -0.443 2.969 3.250 1.00 0.00 C ATOM 93 C ARG A 10 -1.591 2.193 2.610 1.00 0.00 C ATOM 94 O ARG A 10 -2.706 2.169 3.134 1.00 0.00 O ATOM 95 CB ARG A 10 0.303 2.073 4.239 1.00 0.00 C ATOM 96 CG ARG A 10 1.741 2.501 4.483 1.00 0.00 C ATOM 97 CD ARG A 10 2.433 1.586 5.481 1.00 0.00 C ATOM 98 NE ARG A 10 3.509 2.268 6.195 1.00 0.00 N ATOM 99 CZ ARG A 10 3.302 3.167 7.151 1.00 0.00 C ATOM 100 NH1 ARG A 10 2.065 3.490 7.506 1.00 0.00 N ATOM 101 NH2 ARG A 10 4.332 3.745 7.755 1.00 0.00 N ATOM 0 H ARG A 10 -1.757 4.012 4.506 1.00 0.00 H new ATOM 0 HA ARG A 10 0.245 3.282 2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.232 2.070 5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.296 1.049 3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.289 2.494 3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.759 3.526 4.854 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.702 1.213 6.198 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.837 0.719 4.958 1.00 0.00 H new ATOM 0 HE ARG A 10 4.472 2.042 5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.270 3.048 7.045 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.909 4.181 8.240 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.285 3.499 7.486 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.171 4.435 8.489 1.00 0.00 H new ATOM 115 N LEU A 11 -1.311 1.560 1.476 1.00 0.00 N ATOM 116 CA LEU A 11 -2.320 0.783 0.765 1.00 0.00 C ATOM 117 C LEU A 11 -2.084 -0.713 0.947 1.00 0.00 C ATOM 118 O LEU A 11 -0.944 -1.179 0.930 1.00 0.00 O ATOM 119 CB LEU A 11 -2.307 1.135 -0.724 1.00 0.00 C ATOM 120 CG LEU A 11 -2.920 2.484 -1.100 1.00 0.00 C ATOM 121 CD1 LEU A 11 -3.054 2.608 -2.610 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.273 2.662 -0.426 1.00 0.00 C ATOM 0 H LEU A 11 -0.394 1.570 1.029 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.295 1.032 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.274 1.118 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.839 0.353 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.255 3.273 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.492 3.575 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.069 2.527 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.697 1.811 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.694 3.628 -0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.946 1.866 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.149 2.619 0.656 1.00 0.00 H new ATOM 134 N PHE A 12 -3.168 -1.461 1.120 1.00 0.00 N ATOM 135 CA PHE A 12 -3.080 -2.905 1.304 1.00 0.00 C ATOM 136 C PHE A 12 -3.098 -3.627 -0.040 1.00 0.00 C ATOM 137 O PHE A 12 -4.153 -3.789 -0.655 1.00 0.00 O ATOM 138 CB PHE A 12 -4.234 -3.401 2.178 1.00 0.00 C ATOM 139 CG PHE A 12 -4.153 -4.865 2.503 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.650 -5.812 1.622 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.581 -5.295 3.690 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.578 -7.160 1.919 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.506 -6.641 3.992 1.00 0.00 C ATOM 144 CZ PHE A 12 -4.004 -7.575 3.104 1.00 0.00 C ATOM 0 H PHE A 12 -4.118 -1.091 1.137 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.136 -3.125 1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.247 -2.831 3.107 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.177 -3.202 1.669 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.099 -5.493 0.693 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.189 -4.569 4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.970 -7.888 1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.059 -6.963 4.921 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.944 -8.628 3.336 1.00 0.00 H new ATOM 154 N ILE A 13 -1.924 -4.058 -0.489 1.00 0.00 N ATOM 155 CA ILE A 13 -1.805 -4.763 -1.760 1.00 0.00 C ATOM 156 C ILE A 13 -1.690 -6.268 -1.544 1.00 0.00 C ATOM 157 O ILE A 13 -0.683 -6.757 -1.034 1.00 0.00 O ATOM 158 CB ILE A 13 -0.585 -4.275 -2.562 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.448 -2.755 -2.450 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.706 -4.695 -4.019 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.703 -2.005 -2.839 1.00 0.00 C ATOM 0 H ILE A 13 -1.042 -3.932 0.008 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.711 -4.548 -2.327 1.00 0.00 H new ATOM 0 HB ILE A 13 0.312 -4.734 -2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.183 -2.497 -1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.374 -2.425 -3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.164 -4.342 -4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.760 -5.782 -4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.609 -4.262 -4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.533 -0.933 -2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.958 -2.234 -3.874 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.524 -2.307 -2.188 1.00 0.00 H new ATOM 173 N GLY A 14 -2.728 -6.999 -1.940 1.00 0.00 N ATOM 174 CA GLY A 14 -2.722 -8.441 -1.783 1.00 0.00 C ATOM 175 C GLY A 14 -2.839 -9.168 -3.108 1.00 0.00 C ATOM 176 O GLY A 14 -3.432 -8.655 -4.056 1.00 0.00 O ATOM 0 H GLY A 14 -3.572 -6.618 -2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.802 -8.745 -1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.548 -8.737 -1.136 1.00 0.00 H new ATOM 180 N GLY A 15 -2.270 -10.368 -3.175 1.00 0.00 N ATOM 181 CA GLY A 15 -2.323 -11.147 -4.399 1.00 0.00 C ATOM 182 C GLY A 15 -1.060 -11.015 -5.226 1.00 0.00 C ATOM 183 O GLY A 15 -1.095 -11.142 -6.450 1.00 0.00 O ATOM 0 H GLY A 15 -1.773 -10.815 -2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.483 -12.196 -4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.178 -10.826 -4.994 1.00 0.00 H new ATOM 187 N ILE A 16 0.059 -10.758 -4.556 1.00 0.00 N ATOM 188 CA ILE A 16 1.339 -10.608 -5.238 1.00 0.00 C ATOM 189 C ILE A 16 2.229 -11.824 -5.009 1.00 0.00 C ATOM 190 O ILE A 16 2.116 -12.528 -4.005 1.00 0.00 O ATOM 191 CB ILE A 16 2.083 -9.345 -4.765 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.192 -9.331 -3.239 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.374 -8.094 -5.262 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.245 -8.380 -2.716 1.00 0.00 C ATOM 0 H ILE A 16 0.105 -10.649 -3.543 1.00 0.00 H new ATOM 0 HA ILE A 16 1.122 -10.515 -6.302 1.00 0.00 H new ATOM 0 HB ILE A 16 3.090 -9.358 -5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.225 -9.057 -2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.419 -10.338 -2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.912 -7.210 -4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.345 -8.101 -6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.356 -8.073 -4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.266 -8.423 -1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.221 -8.666 -3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.009 -7.365 -3.034 1.00 0.00 H new ATOM 206 N PRO A 17 3.139 -12.079 -5.962 1.00 0.00 N ATOM 207 CA PRO A 17 4.068 -13.210 -5.886 1.00 0.00 C ATOM 208 C PRO A 17 5.118 -13.025 -4.796 1.00 0.00 C ATOM 209 O PRO A 17 5.376 -11.907 -4.350 1.00 0.00 O ATOM 210 CB PRO A 17 4.728 -13.220 -7.268 1.00 0.00 C ATOM 211 CG PRO A 17 4.618 -11.814 -7.750 1.00 0.00 C ATOM 212 CD PRO A 17 3.329 -11.283 -7.185 1.00 0.00 C ATOM 0 HA PRO A 17 3.558 -14.140 -5.635 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.769 -13.538 -7.207 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.223 -13.911 -7.943 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.467 -11.218 -7.413 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.613 -11.774 -8.839 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.396 -10.218 -6.965 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.501 -11.413 -7.882 1.00 0.00 H new ATOM 220 N LYS A 18 5.722 -14.130 -4.370 1.00 0.00 N ATOM 221 CA LYS A 18 6.746 -14.090 -3.332 1.00 0.00 C ATOM 222 C LYS A 18 8.128 -13.872 -3.940 1.00 0.00 C ATOM 223 O LYS A 18 8.834 -12.932 -3.576 1.00 0.00 O ATOM 224 CB LYS A 18 6.732 -15.390 -2.524 1.00 0.00 C ATOM 225 CG LYS A 18 5.337 -15.862 -2.155 1.00 0.00 C ATOM 226 CD LYS A 18 4.796 -16.851 -3.174 1.00 0.00 C ATOM 227 CE LYS A 18 3.734 -17.754 -2.565 1.00 0.00 C ATOM 228 NZ LYS A 18 3.408 -18.904 -3.452 1.00 0.00 N ATOM 0 H LYS A 18 5.520 -15.064 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 18 6.524 -13.254 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.230 -16.171 -3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.311 -15.247 -1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.358 -16.328 -1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.668 -15.004 -2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.373 -16.309 -4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.613 -17.459 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.083 -18.126 -1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.830 -17.175 -2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.681 -19.495 -3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.051 -18.550 -4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.264 -19.472 -3.613 1.00 0.00 H new ATOM 242 N MET A 19 8.506 -14.744 -4.868 1.00 0.00 N ATOM 243 CA MET A 19 9.803 -14.644 -5.527 1.00 0.00 C ATOM 244 C MET A 19 10.169 -13.186 -5.788 1.00 0.00 C ATOM 245 O MET A 19 11.347 -12.834 -5.862 1.00 0.00 O ATOM 246 CB MET A 19 9.791 -15.422 -6.844 1.00 0.00 C ATOM 247 CG MET A 19 8.725 -14.951 -7.819 1.00 0.00 C ATOM 248 SD MET A 19 8.175 -16.258 -8.933 1.00 0.00 S ATOM 249 CE MET A 19 6.965 -17.090 -7.908 1.00 0.00 C ATOM 0 H MET A 19 7.933 -15.528 -5.181 1.00 0.00 H new ATOM 0 HA MET A 19 10.553 -15.076 -4.865 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.769 -15.334 -7.317 1.00 0.00 H new ATOM 0 HB3 MET A 19 9.634 -16.479 -6.630 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.869 -14.572 -7.260 1.00 0.00 H new ATOM 0 HG3 MET A 19 9.117 -14.120 -8.406 1.00 0.00 H new ATOM 0 HE1 MET A 19 6.534 -17.925 -8.460 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.448 -17.462 -7.004 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.176 -16.389 -7.635 1.00 0.00 H new ATOM 259 N LYS A 20 9.153 -12.342 -5.927 1.00 0.00 N ATOM 260 CA LYS A 20 9.366 -10.921 -6.178 1.00 0.00 C ATOM 261 C LYS A 20 9.824 -10.207 -4.910 1.00 0.00 C ATOM 262 O LYS A 20 9.544 -10.654 -3.798 1.00 0.00 O ATOM 263 CB LYS A 20 8.082 -10.277 -6.704 1.00 0.00 C ATOM 264 CG LYS A 20 7.957 -10.317 -8.218 1.00 0.00 C ATOM 265 CD LYS A 20 8.127 -11.729 -8.753 1.00 0.00 C ATOM 266 CE LYS A 20 7.400 -11.914 -10.077 1.00 0.00 C ATOM 267 NZ LYS A 20 7.893 -13.107 -10.819 1.00 0.00 N ATOM 0 H LYS A 20 8.172 -12.617 -5.870 1.00 0.00 H new ATOM 0 HA LYS A 20 10.148 -10.824 -6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.224 -10.785 -6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.043 -9.240 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.982 -9.929 -8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.708 -9.665 -8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.187 -11.944 -8.886 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.746 -12.444 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.331 -12.017 -9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.533 -11.024 -10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.266 -13.297 -11.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.857 -12.927 -11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.901 -13.931 -10.185 1.00 0.00 H new ATOM 281 N LYS A 21 10.528 -9.094 -5.085 1.00 0.00 N ATOM 282 CA LYS A 21 11.022 -8.315 -3.956 1.00 0.00 C ATOM 283 C LYS A 21 10.430 -6.910 -3.964 1.00 0.00 C ATOM 284 O LYS A 21 9.834 -6.483 -4.952 1.00 0.00 O ATOM 285 CB LYS A 21 12.550 -8.236 -3.994 1.00 0.00 C ATOM 286 CG LYS A 21 13.237 -9.443 -3.378 1.00 0.00 C ATOM 287 CD LYS A 21 14.612 -9.671 -3.983 1.00 0.00 C ATOM 288 CE LYS A 21 14.514 -10.230 -5.395 1.00 0.00 C ATOM 289 NZ LYS A 21 15.857 -10.516 -5.972 1.00 0.00 N ATOM 0 H LYS A 21 10.769 -8.711 -5.999 1.00 0.00 H new ATOM 0 HA LYS A 21 10.713 -8.815 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.874 -8.133 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.872 -7.337 -3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.331 -9.299 -2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.621 -10.330 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.164 -8.731 -4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.177 -10.361 -3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.921 -11.145 -5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.989 -9.518 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.748 -10.895 -6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.414 -9.638 -6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.348 -11.214 -5.378 1.00 0.00 H new ATOM 303 N ARG A 22 10.599 -6.195 -2.856 1.00 0.00 N ATOM 304 CA ARG A 22 10.081 -4.838 -2.736 1.00 0.00 C ATOM 305 C ARG A 22 10.588 -3.959 -3.875 1.00 0.00 C ATOM 306 O ARG A 22 9.817 -3.235 -4.503 1.00 0.00 O ATOM 307 CB ARG A 22 10.487 -4.232 -1.391 1.00 0.00 C ATOM 308 CG ARG A 22 11.991 -4.110 -1.207 1.00 0.00 C ATOM 309 CD ARG A 22 12.370 -4.058 0.265 1.00 0.00 C ATOM 310 NE ARG A 22 12.343 -2.695 0.790 1.00 0.00 N ATOM 311 CZ ARG A 22 12.726 -2.374 2.020 1.00 0.00 C ATOM 312 NH1 ARG A 22 13.164 -3.312 2.848 1.00 0.00 N ATOM 313 NH2 ARG A 22 12.673 -1.111 2.425 1.00 0.00 N ATOM 0 H ARG A 22 11.091 -6.533 -2.029 1.00 0.00 H new ATOM 0 HA ARG A 22 8.994 -4.885 -2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.037 -3.244 -1.297 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.080 -4.846 -0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.487 -4.957 -1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.348 -3.210 -1.708 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.683 -4.681 0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.367 -4.478 0.398 1.00 0.00 H new ATOM 0 HE ARG A 22 12.012 -1.949 0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.208 -4.284 2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.458 -3.062 3.792 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.338 -0.386 1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.968 -0.866 3.370 1.00 0.00 H new ATOM 327 N GLU A 23 11.890 -4.030 -4.136 1.00 0.00 N ATOM 328 CA GLU A 23 12.500 -3.240 -5.199 1.00 0.00 C ATOM 329 C GLU A 23 11.689 -3.345 -6.488 1.00 0.00 C ATOM 330 O GLU A 23 11.601 -2.388 -7.257 1.00 0.00 O ATOM 331 CB GLU A 23 13.937 -3.702 -5.449 1.00 0.00 C ATOM 332 CG GLU A 23 14.075 -5.208 -5.592 1.00 0.00 C ATOM 333 CD GLU A 23 15.514 -5.646 -5.784 1.00 0.00 C ATOM 334 OE1 GLU A 23 16.263 -4.931 -6.482 1.00 0.00 O ATOM 335 OE2 GLU A 23 15.892 -6.704 -5.237 1.00 0.00 O ATOM 0 H GLU A 23 12.542 -4.626 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 23 12.512 -2.198 -4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.311 -3.224 -6.354 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.567 -3.364 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.667 -5.692 -4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.480 -5.545 -6.441 1.00 0.00 H new ATOM 342 N GLU A 24 11.100 -4.514 -6.716 1.00 0.00 N ATOM 343 CA GLU A 24 10.298 -4.744 -7.912 1.00 0.00 C ATOM 344 C GLU A 24 8.873 -4.232 -7.719 1.00 0.00 C ATOM 345 O GLU A 24 8.307 -3.592 -8.606 1.00 0.00 O ATOM 346 CB GLU A 24 10.272 -6.235 -8.257 1.00 0.00 C ATOM 347 CG GLU A 24 11.604 -6.766 -8.759 1.00 0.00 C ATOM 348 CD GLU A 24 12.031 -6.128 -10.067 1.00 0.00 C ATOM 349 OE1 GLU A 24 12.401 -4.935 -10.053 1.00 0.00 O ATOM 350 OE2 GLU A 24 11.996 -6.822 -11.104 1.00 0.00 O ATOM 0 H GLU A 24 11.163 -5.316 -6.089 1.00 0.00 H new ATOM 0 HA GLU A 24 10.755 -4.195 -8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.975 -6.799 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.511 -6.410 -9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.370 -6.587 -8.005 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.534 -7.846 -8.892 1.00 0.00 H new ATOM 357 N ILE A 25 8.301 -4.517 -6.554 1.00 0.00 N ATOM 358 CA ILE A 25 6.944 -4.085 -6.244 1.00 0.00 C ATOM 359 C ILE A 25 6.820 -2.567 -6.319 1.00 0.00 C ATOM 360 O ILE A 25 5.968 -2.037 -7.033 1.00 0.00 O ATOM 361 CB ILE A 25 6.509 -4.556 -4.844 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.614 -6.079 -4.739 1.00 0.00 C ATOM 363 CG2 ILE A 25 5.089 -4.096 -4.548 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.863 -6.572 -3.331 1.00 0.00 C ATOM 0 H ILE A 25 8.756 -5.045 -5.809 1.00 0.00 H new ATOM 0 HA ILE A 25 6.291 -4.538 -6.990 1.00 0.00 H new ATOM 0 HB ILE A 25 7.176 -4.113 -4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.693 -6.525 -5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.421 -6.425 -5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.796 -4.437 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.044 -3.008 -4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.409 -4.514 -5.290 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.926 -7.660 -3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.799 -6.155 -2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.044 -6.257 -2.685 1.00 0.00 H new ATOM 376 N LEU A 26 7.676 -1.872 -5.578 1.00 0.00 N ATOM 377 CA LEU A 26 7.664 -0.413 -5.561 1.00 0.00 C ATOM 378 C LEU A 26 7.529 0.147 -6.973 1.00 0.00 C ATOM 379 O LEU A 26 6.625 0.932 -7.255 1.00 0.00 O ATOM 380 CB LEU A 26 8.942 0.119 -4.908 1.00 0.00 C ATOM 381 CG LEU A 26 9.229 1.607 -5.111 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.542 2.434 -4.034 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.728 1.866 -5.110 1.00 0.00 C ATOM 0 H LEU A 26 8.387 -2.295 -4.981 1.00 0.00 H new ATOM 0 HA LEU A 26 6.803 -0.088 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.888 -0.078 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.788 -0.450 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 26 8.830 1.906 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.757 3.491 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.465 2.272 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.911 2.133 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.913 2.930 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.151 1.551 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.195 1.302 -5.918 1.00 0.00 H new ATOM 395 N GLU A 27 8.434 -0.265 -7.856 1.00 0.00 N ATOM 396 CA GLU A 27 8.414 0.195 -9.240 1.00 0.00 C ATOM 397 C GLU A 27 7.045 -0.040 -9.872 1.00 0.00 C ATOM 398 O GLU A 27 6.350 0.906 -10.242 1.00 0.00 O ATOM 399 CB GLU A 27 9.494 -0.520 -10.054 1.00 0.00 C ATOM 400 CG GLU A 27 10.035 0.308 -11.207 1.00 0.00 C ATOM 401 CD GLU A 27 10.612 -0.546 -12.319 1.00 0.00 C ATOM 402 OE1 GLU A 27 9.853 -1.339 -12.914 1.00 0.00 O ATOM 403 OE2 GLU A 27 11.824 -0.421 -12.594 1.00 0.00 O ATOM 0 H GLU A 27 9.189 -0.915 -7.638 1.00 0.00 H new ATOM 0 HA GLU A 27 8.617 1.266 -9.243 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.318 -0.788 -9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.085 -1.451 -10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.235 0.930 -11.609 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.806 0.982 -10.835 1.00 0.00 H new ATOM 410 N GLU A 28 6.666 -1.309 -9.993 1.00 0.00 N ATOM 411 CA GLU A 28 5.381 -1.668 -10.581 1.00 0.00 C ATOM 412 C GLU A 28 4.264 -0.790 -10.027 1.00 0.00 C ATOM 413 O GLU A 28 3.217 -0.629 -10.656 1.00 0.00 O ATOM 414 CB GLU A 28 5.067 -3.142 -10.313 1.00 0.00 C ATOM 415 CG GLU A 28 5.677 -4.089 -11.333 1.00 0.00 C ATOM 416 CD GLU A 28 5.148 -3.856 -12.735 1.00 0.00 C ATOM 417 OE1 GLU A 28 3.986 -3.420 -12.867 1.00 0.00 O ATOM 418 OE2 GLU A 28 5.898 -4.110 -13.701 1.00 0.00 O ATOM 0 H GLU A 28 7.230 -2.104 -9.692 1.00 0.00 H new ATOM 0 HA GLU A 28 5.445 -1.507 -11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.430 -3.408 -9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.986 -3.279 -10.304 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.760 -3.968 -11.333 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.471 -5.118 -11.037 1.00 0.00 H new ATOM 425 N ILE A 29 4.493 -0.225 -8.847 1.00 0.00 N ATOM 426 CA ILE A 29 3.507 0.638 -8.208 1.00 0.00 C ATOM 427 C ILE A 29 3.706 2.094 -8.614 1.00 0.00 C ATOM 428 O ILE A 29 2.740 2.827 -8.827 1.00 0.00 O ATOM 429 CB ILE A 29 3.575 0.530 -6.673 1.00 0.00 C ATOM 430 CG1 ILE A 29 3.126 -0.860 -6.218 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.716 1.607 -6.028 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.847 -1.329 -6.876 1.00 0.00 C ATOM 0 H ILE A 29 5.353 -0.349 -8.313 1.00 0.00 H new ATOM 0 HA ILE A 29 2.527 0.301 -8.544 1.00 0.00 H new ATOM 0 HB ILE A 29 4.608 0.679 -6.358 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.919 -1.577 -6.432 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.987 -0.852 -5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.774 1.518 -4.943 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.077 2.590 -6.331 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.681 1.486 -6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.590 -2.321 -6.506 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.041 -0.634 -6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.987 -1.370 -7.956 1.00 0.00 H new ATOM 444 N ALA A 30 4.965 2.507 -8.719 1.00 0.00 N ATOM 445 CA ALA A 30 5.290 3.875 -9.103 1.00 0.00 C ATOM 446 C ALA A 30 4.675 4.228 -10.452 1.00 0.00 C ATOM 447 O ALA A 30 4.611 5.398 -10.831 1.00 0.00 O ATOM 448 CB ALA A 30 6.799 4.067 -9.142 1.00 0.00 C ATOM 0 H ALA A 30 5.776 1.914 -8.544 1.00 0.00 H new ATOM 0 HA ALA A 30 4.868 4.546 -8.355 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.028 5.093 -9.430 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.217 3.865 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.234 3.380 -9.868 1.00 0.00 H new ATOM 454 N LYS A 31 4.223 3.209 -11.176 1.00 0.00 N ATOM 455 CA LYS A 31 3.611 3.411 -12.484 1.00 0.00 C ATOM 456 C LYS A 31 2.095 3.263 -12.405 1.00 0.00 C ATOM 457 O LYS A 31 1.352 4.130 -12.864 1.00 0.00 O ATOM 458 CB LYS A 31 4.180 2.412 -13.495 1.00 0.00 C ATOM 459 CG LYS A 31 4.484 1.049 -12.898 1.00 0.00 C ATOM 460 CD LYS A 31 5.104 0.117 -13.925 1.00 0.00 C ATOM 461 CE LYS A 31 6.601 0.352 -14.058 1.00 0.00 C ATOM 462 NZ LYS A 31 7.115 -0.082 -15.387 1.00 0.00 N ATOM 0 H LYS A 31 4.269 2.234 -10.878 1.00 0.00 H new ATOM 0 HA LYS A 31 3.842 4.424 -12.813 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.470 2.291 -14.313 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.094 2.823 -13.925 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.163 1.164 -12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.566 0.607 -12.511 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.921 -0.918 -13.636 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.624 0.268 -14.892 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.817 1.411 -13.913 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.125 -0.191 -13.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.139 0.095 -15.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.932 -1.098 -15.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.633 0.454 -16.137 1.00 0.00 H new ATOM 476 N VAL A 32 1.643 2.159 -11.817 1.00 0.00 N ATOM 477 CA VAL A 32 0.215 1.899 -11.675 1.00 0.00 C ATOM 478 C VAL A 32 -0.438 2.914 -10.745 1.00 0.00 C ATOM 479 O VAL A 32 -1.633 3.195 -10.853 1.00 0.00 O ATOM 480 CB VAL A 32 -0.046 0.481 -11.135 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.619 -0.560 -12.023 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.443 0.360 -9.699 1.00 0.00 C ATOM 0 H VAL A 32 2.245 1.431 -11.432 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.224 1.987 -12.669 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.121 0.299 -11.146 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.423 -1.556 -11.625 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.216 -0.487 -13.033 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.694 -0.384 -12.047 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.251 -0.649 -9.333 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.513 0.562 -9.661 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.084 1.080 -9.073 1.00 0.00 H new ATOM 492 N THR A 33 0.353 3.464 -9.828 1.00 0.00 N ATOM 493 CA THR A 33 -0.149 4.448 -8.877 1.00 0.00 C ATOM 494 C THR A 33 0.898 5.518 -8.590 1.00 0.00 C ATOM 495 O THR A 33 1.899 5.257 -7.923 1.00 0.00 O ATOM 496 CB THR A 33 -0.566 3.786 -7.550 1.00 0.00 C ATOM 497 OG1 THR A 33 0.576 3.200 -6.915 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.623 2.718 -7.788 1.00 0.00 C ATOM 0 H THR A 33 1.344 3.244 -9.724 1.00 0.00 H new ATOM 0 HA THR A 33 -1.024 4.911 -9.334 1.00 0.00 H new ATOM 0 HB THR A 33 -0.987 4.555 -6.902 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.390 3.647 -7.228 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.902 2.264 -6.837 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.502 3.172 -8.246 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.223 1.952 -8.452 1.00 0.00 H new ATOM 506 N GLU A 34 0.661 6.724 -9.098 1.00 0.00 N ATOM 507 CA GLU A 34 1.585 7.833 -8.895 1.00 0.00 C ATOM 508 C GLU A 34 1.348 8.498 -7.543 1.00 0.00 C ATOM 509 O GLU A 34 0.209 8.766 -7.161 1.00 0.00 O ATOM 510 CB GLU A 34 1.433 8.864 -10.016 1.00 0.00 C ATOM 511 CG GLU A 34 2.724 9.590 -10.354 1.00 0.00 C ATOM 512 CD GLU A 34 2.538 10.643 -11.429 1.00 0.00 C ATOM 513 OE1 GLU A 34 1.642 11.499 -11.273 1.00 0.00 O ATOM 514 OE2 GLU A 34 3.288 10.611 -12.426 1.00 0.00 O ATOM 0 H GLU A 34 -0.163 6.957 -9.653 1.00 0.00 H new ATOM 0 HA GLU A 34 2.600 7.435 -8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.062 8.364 -10.911 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.680 9.596 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.118 10.061 -9.453 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.468 8.865 -10.686 1.00 0.00 H new ATOM 521 N GLY A 35 2.433 8.762 -6.821 1.00 0.00 N ATOM 522 CA GLY A 35 2.323 9.393 -5.519 1.00 0.00 C ATOM 523 C GLY A 35 2.809 8.496 -4.397 1.00 0.00 C ATOM 524 O GLY A 35 2.536 8.753 -3.225 1.00 0.00 O ATOM 0 H GLY A 35 3.386 8.550 -7.115 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.900 10.318 -5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.283 9.666 -5.338 1.00 0.00 H new ATOM 528 N VAL A 36 3.530 7.439 -4.757 1.00 0.00 N ATOM 529 CA VAL A 36 4.054 6.501 -3.772 1.00 0.00 C ATOM 530 C VAL A 36 5.368 7.000 -3.182 1.00 0.00 C ATOM 531 O VAL A 36 6.062 7.818 -3.788 1.00 0.00 O ATOM 532 CB VAL A 36 4.278 5.107 -4.389 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.208 4.804 -5.426 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.668 5.012 -5.001 1.00 0.00 C ATOM 0 H VAL A 36 3.764 7.211 -5.723 1.00 0.00 H new ATOM 0 HA VAL A 36 3.309 6.425 -2.980 1.00 0.00 H new ATOM 0 HB VAL A 36 4.203 4.362 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.383 3.816 -5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.226 4.828 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.247 5.551 -6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.809 4.021 -5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.774 5.766 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.418 5.182 -4.228 1.00 0.00 H new ATOM 544 N LEU A 37 5.705 6.503 -1.997 1.00 0.00 N ATOM 545 CA LEU A 37 6.937 6.898 -1.324 1.00 0.00 C ATOM 546 C LEU A 37 7.864 5.701 -1.138 1.00 0.00 C ATOM 547 O LEU A 37 9.054 5.771 -1.449 1.00 0.00 O ATOM 548 CB LEU A 37 6.620 7.528 0.034 1.00 0.00 C ATOM 549 CG LEU A 37 7.606 8.587 0.529 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.767 9.691 -0.504 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.146 9.163 1.860 1.00 0.00 C ATOM 0 H LEU A 37 5.142 5.826 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 37 7.444 7.633 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.629 7.980 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.568 6.733 0.778 1.00 0.00 H new ATOM 0 HG LEU A 37 8.576 8.112 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.472 10.435 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.143 9.266 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.802 10.164 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.860 9.915 2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.165 9.622 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.083 8.365 2.600 1.00 0.00 H new ATOM 563 N ASP A 38 7.312 4.604 -0.633 1.00 0.00 N ATOM 564 CA ASP A 38 8.088 3.390 -0.409 1.00 0.00 C ATOM 565 C ASP A 38 7.171 2.189 -0.202 1.00 0.00 C ATOM 566 O ASP A 38 6.002 2.341 0.153 1.00 0.00 O ATOM 567 CB ASP A 38 9.006 3.562 0.803 1.00 0.00 C ATOM 568 CG ASP A 38 10.238 2.683 0.725 1.00 0.00 C ATOM 569 OD1 ASP A 38 10.087 1.445 0.779 1.00 0.00 O ATOM 570 OD2 ASP A 38 11.354 3.233 0.611 1.00 0.00 O ATOM 0 H ASP A 38 6.329 4.530 -0.371 1.00 0.00 H new ATOM 0 HA ASP A 38 8.698 3.210 -1.294 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.312 4.605 0.878 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.452 3.326 1.711 1.00 0.00 H new ATOM 575 N VAL A 39 7.709 0.995 -0.427 1.00 0.00 N ATOM 576 CA VAL A 39 6.939 -0.233 -0.265 1.00 0.00 C ATOM 577 C VAL A 39 7.526 -1.108 0.837 1.00 0.00 C ATOM 578 O VAL A 39 8.741 -1.290 0.918 1.00 0.00 O ATOM 579 CB VAL A 39 6.889 -1.041 -1.575 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.236 -2.395 -1.344 1.00 0.00 C ATOM 581 CG2 VAL A 39 6.152 -0.262 -2.654 1.00 0.00 C ATOM 0 H VAL A 39 8.675 0.852 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 39 5.926 0.062 0.010 1.00 0.00 H new ATOM 0 HB VAL A 39 7.911 -1.211 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.210 -2.951 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.810 -2.955 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.219 -2.251 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.126 -0.848 -3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.133 -0.059 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.668 0.680 -2.839 1.00 0.00 H new ATOM 591 N ILE A 40 6.655 -1.648 1.683 1.00 0.00 N ATOM 592 CA ILE A 40 7.087 -2.506 2.779 1.00 0.00 C ATOM 593 C ILE A 40 6.496 -3.905 2.648 1.00 0.00 C ATOM 594 O ILE A 40 5.294 -4.103 2.831 1.00 0.00 O ATOM 595 CB ILE A 40 6.687 -1.918 4.145 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.188 -0.478 4.272 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.237 -2.777 5.274 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.304 0.397 5.133 1.00 0.00 C ATOM 0 H ILE A 40 5.646 -1.506 1.630 1.00 0.00 H new ATOM 0 HA ILE A 40 8.174 -2.567 2.723 1.00 0.00 H new ATOM 0 HB ILE A 40 5.599 -1.912 4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.194 -0.488 4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.262 -0.039 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.946 -2.348 6.233 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.836 -3.787 5.191 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.324 -2.812 5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.721 1.403 5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.303 0.438 4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.250 -0.018 6.139 1.00 0.00 H new ATOM 806 N PHE A 54 1.776 -10.636 0.047 1.00 0.00 N ATOM 807 CA PHE A 54 1.228 -9.289 0.155 1.00 0.00 C ATOM 808 C PHE A 54 2.344 -8.257 0.286 1.00 0.00 C ATOM 809 O PHE A 54 3.505 -8.606 0.497 1.00 0.00 O ATOM 810 CB PHE A 54 0.286 -9.194 1.357 1.00 0.00 C ATOM 811 CG PHE A 54 0.146 -7.801 1.901 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.082 -7.291 2.787 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.920 -7.000 1.526 1.00 0.00 C ATOM 814 CE1 PHE A 54 0.956 -6.010 3.289 1.00 0.00 C ATOM 815 CE2 PHE A 54 -1.052 -5.718 2.024 1.00 0.00 C ATOM 816 CZ PHE A 54 -0.112 -5.222 2.906 1.00 0.00 C ATOM 0 HA PHE A 54 0.667 -9.078 -0.755 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.698 -9.563 1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.652 -9.849 2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.920 -7.902 3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.657 -7.382 0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.692 -5.625 3.980 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.889 -5.105 1.724 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.212 -4.220 3.296 1.00 0.00 H new ATOM 826 N ALA A 55 1.983 -6.984 0.159 1.00 0.00 N ATOM 827 CA ALA A 55 2.952 -5.901 0.265 1.00 0.00 C ATOM 828 C ALA A 55 2.270 -4.588 0.634 1.00 0.00 C ATOM 829 O ALA A 55 1.094 -4.381 0.331 1.00 0.00 O ATOM 830 CB ALA A 55 3.720 -5.750 -1.040 1.00 0.00 C ATOM 0 H ALA A 55 1.026 -6.678 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 55 3.654 -6.152 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.440 -4.937 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.247 -6.678 -1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.024 -5.526 -1.848 1.00 0.00 H new ATOM 836 N PHE A 56 3.014 -3.704 1.290 1.00 0.00 N ATOM 837 CA PHE A 56 2.479 -2.411 1.702 1.00 0.00 C ATOM 838 C PHE A 56 3.012 -1.293 0.810 1.00 0.00 C ATOM 839 O PHE A 56 4.138 -1.360 0.317 1.00 0.00 O ATOM 840 CB PHE A 56 2.839 -2.128 3.162 1.00 0.00 C ATOM 841 CG PHE A 56 1.812 -2.623 4.139 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.519 -2.125 4.117 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.139 -3.585 5.081 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.429 -2.579 5.015 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.195 -4.043 5.981 1.00 0.00 C ATOM 846 CZ PHE A 56 -0.090 -3.538 5.948 1.00 0.00 C ATOM 0 H PHE A 56 3.989 -3.859 1.548 1.00 0.00 H new ATOM 0 HA PHE A 56 1.394 -2.446 1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.798 -2.594 3.388 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.967 -1.054 3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.249 -1.374 3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.143 -3.982 5.112 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.434 -2.184 4.987 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.462 -4.795 6.709 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.829 -3.893 6.651 1.00 0.00 H new ATOM 856 N VAL A 57 2.192 -0.266 0.605 1.00 0.00 N ATOM 857 CA VAL A 57 2.579 0.866 -0.227 1.00 0.00 C ATOM 858 C VAL A 57 2.313 2.188 0.485 1.00 0.00 C ATOM 859 O VAL A 57 1.168 2.627 0.589 1.00 0.00 O ATOM 860 CB VAL A 57 1.827 0.859 -1.571 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.448 1.856 -2.537 1.00 0.00 C ATOM 862 CG2 VAL A 57 1.818 -0.540 -2.168 1.00 0.00 C ATOM 0 H VAL A 57 1.256 -0.196 1.004 1.00 0.00 H new ATOM 0 HA VAL A 57 3.648 0.768 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 57 0.795 1.160 -1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.903 1.836 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.397 2.857 -2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.490 1.590 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.283 -0.527 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.843 -0.871 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.322 -1.226 -1.481 1.00 0.00 H new ATOM 872 N GLU A 58 3.377 2.816 0.973 1.00 0.00 N ATOM 873 CA GLU A 58 3.257 4.088 1.676 1.00 0.00 C ATOM 874 C GLU A 58 3.282 5.257 0.695 1.00 0.00 C ATOM 875 O GLU A 58 4.252 5.443 -0.040 1.00 0.00 O ATOM 876 CB GLU A 58 4.387 4.241 2.697 1.00 0.00 C ATOM 877 CG GLU A 58 4.027 5.133 3.873 1.00 0.00 C ATOM 878 CD GLU A 58 5.233 5.847 4.454 1.00 0.00 C ATOM 879 OE1 GLU A 58 5.930 5.246 5.297 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.478 7.008 4.064 1.00 0.00 O ATOM 0 H GLU A 58 4.332 2.465 0.895 1.00 0.00 H new ATOM 0 HA GLU A 58 2.301 4.095 2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.664 3.255 3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.265 4.650 2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.292 5.871 3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.556 4.531 4.650 1.00 0.00 H new ATOM 887 N TYR A 59 2.209 6.040 0.689 1.00 0.00 N ATOM 888 CA TYR A 59 2.106 7.188 -0.204 1.00 0.00 C ATOM 889 C TYR A 59 2.331 8.491 0.557 1.00 0.00 C ATOM 890 O TYR A 59 1.792 8.688 1.645 1.00 0.00 O ATOM 891 CB TYR A 59 0.735 7.211 -0.882 1.00 0.00 C ATOM 892 CG TYR A 59 0.496 6.038 -1.806 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.146 4.792 -1.302 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.620 6.177 -3.183 1.00 0.00 C ATOM 895 CE1 TYR A 59 -0.072 3.718 -2.142 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.402 5.109 -4.031 1.00 0.00 C ATOM 897 CZ TYR A 59 0.057 3.881 -3.506 1.00 0.00 C ATOM 898 OH TYR A 59 -0.161 2.814 -4.347 1.00 0.00 O ATOM 0 H TYR A 59 1.398 5.901 1.292 1.00 0.00 H new ATOM 0 HA TYR A 59 2.880 7.095 -0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.040 7.222 -0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.635 8.136 -1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.043 4.661 -0.235 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.892 7.137 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.342 2.755 -1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.501 5.235 -5.099 1.00 0.00 H new ATOM 0 HH TYR A 59 0.181 3.027 -5.241 1.00 0.00 H new ATOM 908 N GLU A 60 3.133 9.377 -0.026 1.00 0.00 N ATOM 909 CA GLU A 60 3.431 10.662 0.597 1.00 0.00 C ATOM 910 C GLU A 60 2.157 11.480 0.792 1.00 0.00 C ATOM 911 O GLU A 60 1.961 12.103 1.835 1.00 0.00 O ATOM 912 CB GLU A 60 4.429 11.447 -0.256 1.00 0.00 C ATOM 913 CG GLU A 60 3.946 11.710 -1.672 1.00 0.00 C ATOM 914 CD GLU A 60 4.952 12.489 -2.497 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.424 13.541 -2.017 1.00 0.00 O ATOM 916 OE2 GLU A 60 5.268 12.048 -3.622 1.00 0.00 O ATOM 0 H GLU A 60 3.587 9.229 -0.927 1.00 0.00 H new ATOM 0 HA GLU A 60 3.872 10.470 1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.639 12.400 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.369 10.897 -0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.738 10.759 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.007 12.262 -1.635 1.00 0.00 H new ATOM 923 N SER A 61 1.296 11.474 -0.221 1.00 0.00 N ATOM 924 CA SER A 61 0.044 12.219 -0.163 1.00 0.00 C ATOM 925 C SER A 61 -1.085 11.344 0.375 1.00 0.00 C ATOM 926 O SER A 61 -1.365 10.272 -0.163 1.00 0.00 O ATOM 927 CB SER A 61 -0.324 12.748 -1.551 1.00 0.00 C ATOM 928 OG SER A 61 0.306 13.992 -1.806 1.00 0.00 O ATOM 0 H SER A 61 1.443 10.962 -1.091 1.00 0.00 H new ATOM 0 HA SER A 61 0.183 13.061 0.515 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.027 12.024 -2.310 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.405 12.862 -1.625 1.00 0.00 H new ATOM 0 HG SER A 61 0.056 14.308 -2.699 1.00 0.00 H new ATOM 934 N HIS A 62 -1.729 11.809 1.441 1.00 0.00 N ATOM 935 CA HIS A 62 -2.827 11.070 2.053 1.00 0.00 C ATOM 936 C HIS A 62 -3.805 10.573 0.992 1.00 0.00 C ATOM 937 O HIS A 62 -4.398 9.504 1.133 1.00 0.00 O ATOM 938 CB HIS A 62 -3.559 11.950 3.066 1.00 0.00 C ATOM 939 CG HIS A 62 -4.548 11.201 3.906 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.477 10.330 3.377 1.00 0.00 N ATOM 941 CD2 HIS A 62 -4.748 11.195 5.244 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.207 9.822 4.354 1.00 0.00 C ATOM 943 NE2 HIS A 62 -5.785 10.331 5.497 1.00 0.00 N ATOM 0 H HIS A 62 -1.509 12.694 1.898 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.408 10.206 2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.826 12.425 3.719 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.077 12.748 2.534 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -5.584 10.112 2.386 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.195 11.764 5.977 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.012 9.111 4.238 1.00 0.00 H new ATOM 951 N ARG A 63 -3.969 11.358 -0.068 1.00 0.00 N ATOM 952 CA ARG A 63 -4.877 10.999 -1.151 1.00 0.00 C ATOM 953 C ARG A 63 -4.192 10.069 -2.149 1.00 0.00 C ATOM 954 O ARG A 63 -4.795 9.114 -2.637 1.00 0.00 O ATOM 955 CB ARG A 63 -5.374 12.256 -1.867 1.00 0.00 C ATOM 956 CG ARG A 63 -6.348 11.968 -2.998 1.00 0.00 C ATOM 957 CD ARG A 63 -7.786 11.951 -2.503 1.00 0.00 C ATOM 958 NE ARG A 63 -8.619 11.033 -3.274 1.00 0.00 N ATOM 959 CZ ARG A 63 -9.938 11.153 -3.384 1.00 0.00 C ATOM 960 NH1 ARG A 63 -10.569 12.147 -2.776 1.00 0.00 N ATOM 961 NH2 ARG A 63 -10.627 10.277 -4.104 1.00 0.00 N ATOM 0 H ARG A 63 -3.485 12.246 -0.200 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.729 10.475 -0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.857 12.910 -1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.517 12.799 -2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.238 12.724 -3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.107 11.007 -3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.804 11.662 -1.452 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.202 12.957 -2.564 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.164 10.257 -3.755 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.042 12.822 -2.222 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.581 12.237 -2.862 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.144 9.511 -4.574 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.639 10.370 -4.188 1.00 0.00 H new ATOM 975 N ALA A 64 -2.929 10.357 -2.448 1.00 0.00 N ATOM 976 CA ALA A 64 -2.162 9.547 -3.386 1.00 0.00 C ATOM 977 C ALA A 64 -2.486 8.066 -3.224 1.00 0.00 C ATOM 978 O ALA A 64 -2.352 7.285 -4.166 1.00 0.00 O ATOM 979 CB ALA A 64 -0.672 9.787 -3.194 1.00 0.00 C ATOM 0 H ALA A 64 -2.416 11.145 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.440 9.845 -4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.111 9.176 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.448 10.840 -3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.388 9.518 -2.177 1.00 0.00 H new ATOM 985 N ALA A 65 -2.914 7.686 -2.025 1.00 0.00 N ATOM 986 CA ALA A 65 -3.258 6.298 -1.741 1.00 0.00 C ATOM 987 C ALA A 65 -4.740 6.038 -1.990 1.00 0.00 C ATOM 988 O ALA A 65 -5.114 5.001 -2.536 1.00 0.00 O ATOM 989 CB ALA A 65 -2.892 5.946 -0.306 1.00 0.00 C ATOM 0 H ALA A 65 -3.031 8.320 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.686 5.662 -2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.154 4.907 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.821 6.084 -0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.438 6.595 0.378 1.00 0.00 H new ATOM 995 N ALA A 66 -5.578 6.986 -1.585 1.00 0.00 N ATOM 996 CA ALA A 66 -7.019 6.860 -1.766 1.00 0.00 C ATOM 997 C ALA A 66 -7.390 6.874 -3.245 1.00 0.00 C ATOM 998 O ALA A 66 -8.226 6.089 -3.692 1.00 0.00 O ATOM 999 CB ALA A 66 -7.744 7.976 -1.028 1.00 0.00 C ATOM 0 H ALA A 66 -5.284 7.850 -1.129 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.330 5.902 -1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.819 7.869 -1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.513 7.919 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.420 8.941 -1.418 1.00 0.00 H new ATOM 1005 N MET A 67 -6.763 7.770 -3.999 1.00 0.00 N ATOM 1006 CA MET A 67 -7.028 7.885 -5.429 1.00 0.00 C ATOM 1007 C MET A 67 -6.232 6.847 -6.214 1.00 0.00 C ATOM 1008 O MET A 67 -6.473 6.636 -7.402 1.00 0.00 O ATOM 1009 CB MET A 67 -6.682 9.291 -5.922 1.00 0.00 C ATOM 1010 CG MET A 67 -5.214 9.650 -5.755 1.00 0.00 C ATOM 1011 SD MET A 67 -4.722 11.055 -6.772 1.00 0.00 S ATOM 1012 CE MET A 67 -2.972 10.731 -6.974 1.00 0.00 C ATOM 0 H MET A 67 -6.068 8.427 -3.644 1.00 0.00 H new ATOM 0 HA MET A 67 -8.090 7.702 -5.593 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.950 9.374 -6.975 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.289 10.017 -5.380 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.017 9.878 -4.708 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.601 8.787 -6.014 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.670 10.984 -7.990 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.406 11.336 -6.266 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.774 9.675 -6.789 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.283 6.204 -5.542 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.453 5.188 -6.177 1.00 0.00 C ATOM 1024 C ALA A 68 -5.108 3.813 -6.094 1.00 0.00 C ATOM 1025 O ALA A 68 -4.873 2.951 -6.941 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.074 5.157 -5.536 1.00 0.00 C ATOM 0 H ALA A 68 -5.070 6.369 -4.558 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.346 5.448 -7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.465 4.394 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.597 6.130 -5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.171 4.925 -4.475 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.930 3.616 -5.068 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.617 2.345 -4.874 1.00 0.00 C ATOM 1034 C ARG A 69 -7.815 2.226 -5.812 1.00 0.00 C ATOM 1035 O ARG A 69 -8.080 1.158 -6.364 1.00 0.00 O ATOM 1036 CB ARG A 69 -7.078 2.206 -3.422 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.902 3.385 -2.929 1.00 0.00 C ATOM 1038 CD ARG A 69 -8.532 3.096 -1.576 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.781 3.829 -1.386 1.00 0.00 N ATOM 1040 CZ ARG A 69 -10.869 3.630 -2.122 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -10.862 2.724 -3.090 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -11.968 4.336 -1.889 1.00 0.00 N ATOM 0 H ARG A 69 -6.136 4.320 -4.359 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.915 1.543 -5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.668 1.295 -3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.204 2.092 -2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.268 4.268 -2.855 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.683 3.613 -3.654 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.722 2.026 -1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.831 3.363 -0.785 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.820 4.532 -0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.020 2.178 -3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.699 2.573 -3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.978 5.033 -1.144 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.803 4.182 -2.455 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.536 3.329 -5.987 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.706 3.347 -6.856 1.00 0.00 C ATOM 1058 C ARG A 70 -9.352 2.850 -8.254 1.00 0.00 C ATOM 1059 O ARG A 70 -10.233 2.539 -9.056 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.285 4.761 -6.937 1.00 0.00 C ATOM 1061 CG ARG A 70 -9.432 5.723 -7.747 1.00 0.00 C ATOM 1062 CD ARG A 70 -10.275 6.824 -8.372 1.00 0.00 C ATOM 1063 NE ARG A 70 -11.279 6.291 -9.288 1.00 0.00 N ATOM 1064 CZ ARG A 70 -12.081 7.053 -10.024 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -11.996 8.374 -9.951 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -12.970 6.494 -10.835 1.00 0.00 N ATOM 0 H ARG A 70 -8.330 4.222 -5.538 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.455 2.679 -6.430 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.281 4.712 -7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.403 5.155 -5.927 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.671 6.166 -7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.908 5.175 -8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.769 7.394 -7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.627 7.517 -8.908 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.370 5.278 -9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.314 8.808 -9.329 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.613 8.957 -10.517 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.038 5.478 -10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.585 7.080 -11.399 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.057 2.779 -8.541 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.585 2.319 -9.842 1.00 0.00 C ATOM 1082 C LYS A 71 -7.337 0.814 -9.830 1.00 0.00 C ATOM 1083 O LYS A 71 -7.667 0.112 -10.787 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.301 3.055 -10.231 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.861 2.797 -11.662 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.496 3.401 -11.943 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.749 2.618 -13.012 1.00 0.00 C ATOM 1088 NZ LYS A 71 -4.151 3.030 -14.385 1.00 0.00 N ATOM 0 H LYS A 71 -7.315 3.034 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.359 2.536 -10.579 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.450 4.126 -10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.501 2.755 -9.554 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.829 1.723 -11.846 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.594 3.217 -12.350 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.614 4.436 -12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.908 3.417 -11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.676 2.767 -12.888 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.940 1.553 -12.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.619 2.473 -15.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.170 2.865 -14.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.945 4.041 -14.518 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.754 0.324 -8.741 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.463 -1.099 -8.604 1.00 0.00 C ATOM 1104 C LEU A 72 -7.542 -1.799 -7.783 1.00 0.00 C ATOM 1105 O LEU A 72 -7.425 -2.983 -7.468 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.096 -1.299 -7.948 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.037 -0.244 -8.268 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -2.767 -0.504 -7.473 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.740 -0.222 -9.760 1.00 0.00 C ATOM 0 H LEU A 72 -6.474 0.891 -7.941 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.448 -1.540 -9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.235 -1.329 -6.867 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.711 -2.274 -8.247 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.427 0.733 -7.981 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.025 0.257 -7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.991 -0.468 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.373 -1.488 -7.728 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.984 0.535 -9.969 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.371 -1.199 -10.072 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.652 0.014 -10.309 1.00 0.00 H new ATOM 1121 N MET A 73 -8.591 -1.059 -7.441 1.00 0.00 N ATOM 1122 CA MET A 73 -9.692 -1.610 -6.659 1.00 0.00 C ATOM 1123 C MET A 73 -10.419 -2.702 -7.438 1.00 0.00 C ATOM 1124 O MET A 73 -10.620 -3.815 -6.952 1.00 0.00 O ATOM 1125 CB MET A 73 -10.675 -0.503 -6.273 1.00 0.00 C ATOM 1126 CG MET A 73 -11.272 -0.678 -4.886 1.00 0.00 C ATOM 1127 SD MET A 73 -12.152 -2.241 -4.700 1.00 0.00 S ATOM 1128 CE MET A 73 -11.055 -3.116 -3.587 1.00 0.00 C ATOM 0 H MET A 73 -8.702 -0.077 -7.693 1.00 0.00 H new ATOM 0 HA MET A 73 -9.276 -2.050 -5.752 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.164 0.459 -6.321 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.481 -0.472 -7.006 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.477 -0.623 -4.143 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.956 0.146 -4.683 1.00 0.00 H new ATOM 0 HE1 MET A 73 -11.574 -3.977 -3.167 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.175 -3.454 -4.135 1.00 0.00 H new ATOM 0 HE3 MET A 73 -10.747 -2.450 -2.781 1.00 0.00 H new ATOM 1138 N PRO A 74 -10.823 -2.379 -8.676 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.533 -3.319 -9.548 1.00 0.00 C ATOM 1140 C PRO A 74 -10.635 -4.453 -10.031 1.00 0.00 C ATOM 1141 O PRO A 74 -11.107 -5.422 -10.624 1.00 0.00 O ATOM 1142 CB PRO A 74 -11.974 -2.447 -10.726 1.00 0.00 C ATOM 1143 CG PRO A 74 -10.995 -1.324 -10.752 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.617 -1.070 -9.319 1.00 0.00 C ATOM 0 HA PRO A 74 -12.358 -3.810 -9.032 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.959 -3.007 -11.661 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.992 -2.082 -10.589 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.119 -1.584 -11.346 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.434 -0.434 -11.203 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.583 -0.736 -9.229 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.242 -0.298 -8.869 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.337 -4.325 -9.772 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.394 -5.346 -10.188 1.00 0.00 C ATOM 1154 C GLY A 75 -8.152 -5.338 -11.684 1.00 0.00 C ATOM 1155 O GLY A 75 -7.896 -6.383 -12.284 1.00 0.00 O ATOM 0 H GLY A 75 -8.922 -3.533 -9.282 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.447 -5.195 -9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.768 -6.325 -9.889 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.235 -4.158 -12.289 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.027 -4.019 -13.726 1.00 0.00 C ATOM 1161 C ARG A 76 -6.549 -4.165 -14.077 1.00 0.00 C ATOM 1162 O ARG A 76 -6.201 -4.717 -15.122 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.546 -2.664 -14.209 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.060 -2.539 -14.162 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.718 -3.306 -15.298 1.00 0.00 C ATOM 1166 NE ARG A 76 -10.362 -2.762 -16.605 1.00 0.00 N ATOM 1167 CZ ARG A 76 -10.640 -3.367 -17.754 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -11.275 -4.531 -17.757 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -10.283 -2.808 -18.903 1.00 0.00 N ATOM 0 H ARG A 76 -8.445 -3.284 -11.807 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.582 -4.812 -14.227 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.106 -1.877 -13.597 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.208 -2.499 -15.232 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.428 -2.915 -13.207 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.341 -1.488 -14.221 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.420 -4.353 -15.248 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.801 -3.276 -15.176 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.873 -1.868 -16.638 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.551 -4.964 -16.876 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.487 -4.994 -18.641 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.794 -1.913 -18.904 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.497 -3.274 -19.785 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.686 -3.667 -13.199 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.246 -3.743 -13.417 1.00 0.00 C ATOM 1185 C ILE A 77 -3.642 -4.939 -12.689 1.00 0.00 C ATOM 1186 O ILE A 77 -4.003 -5.229 -11.549 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.538 -2.459 -12.947 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -4.022 -1.256 -13.759 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.029 -2.612 -13.067 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.229 -0.568 -13.159 1.00 0.00 C ATOM 0 H ILE A 77 -5.958 -3.207 -12.330 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.095 -3.860 -14.490 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.785 -2.289 -11.899 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.209 -0.535 -13.846 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.266 -1.584 -14.769 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.543 -1.696 -12.731 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.698 -3.447 -12.449 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.764 -2.803 -14.107 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.517 0.275 -13.787 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.057 -1.274 -13.098 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.984 -0.209 -12.160 1.00 0.00 H new ATOM 1202 N GLN A 78 -2.721 -5.627 -13.355 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.066 -6.791 -12.771 1.00 0.00 C ATOM 1204 C GLN A 78 -0.556 -6.588 -12.701 1.00 0.00 C ATOM 1205 O GLN A 78 0.034 -5.939 -13.565 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.387 -8.046 -13.585 1.00 0.00 C ATOM 1207 CG GLN A 78 -3.867 -8.207 -13.895 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.205 -9.587 -14.423 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -3.732 -9.991 -15.486 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -5.028 -10.320 -13.682 1.00 0.00 N ATOM 0 H GLN A 78 -2.411 -5.399 -14.300 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.444 -6.918 -11.757 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.829 -8.015 -14.521 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.041 -8.923 -13.037 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.447 -8.016 -12.992 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.164 -7.458 -14.629 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.397 -9.946 -12.808 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.291 -11.257 -13.987 1.00 0.00 H new ATOM 1219 N LEU A 79 0.064 -7.148 -11.668 1.00 0.00 N ATOM 1220 CA LEU A 79 1.506 -7.028 -11.485 1.00 0.00 C ATOM 1221 C LEU A 79 2.204 -8.353 -11.778 1.00 0.00 C ATOM 1222 O LEU A 79 1.945 -9.360 -11.119 1.00 0.00 O ATOM 1223 CB LEU A 79 1.824 -6.576 -10.059 1.00 0.00 C ATOM 1224 CG LEU A 79 1.126 -5.299 -9.589 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.288 -5.124 -8.087 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.672 -4.088 -10.331 1.00 0.00 C ATOM 0 H LEU A 79 -0.409 -7.689 -10.945 1.00 0.00 H new ATOM 0 HA LEU A 79 1.875 -6.280 -12.187 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.560 -7.383 -9.376 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.901 -6.429 -9.977 1.00 0.00 H new ATOM 0 HG LEU A 79 0.063 -5.387 -9.811 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.785 -4.210 -7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.848 -5.978 -7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.348 -5.059 -7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.164 -3.189 -9.983 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.741 -3.997 -10.141 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.503 -4.210 -11.401 1.00 0.00 H new ATOM 1238 N TRP A 80 3.089 -8.343 -12.767 1.00 0.00 N ATOM 1239 CA TRP A 80 3.826 -9.544 -13.145 1.00 0.00 C ATOM 1240 C TRP A 80 2.875 -10.646 -13.599 1.00 0.00 C ATOM 1241 O TRP A 80 3.139 -11.830 -13.393 1.00 0.00 O ATOM 1242 CB TRP A 80 4.675 -10.037 -11.972 1.00 0.00 C ATOM 1243 CG TRP A 80 5.428 -8.940 -11.282 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.584 -8.349 -11.704 1.00 0.00 C ATOM 1245 CD2 TRP A 80 5.079 -8.306 -10.047 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.975 -7.385 -10.806 1.00 0.00 N ATOM 1247 CE2 TRP A 80 6.067 -7.338 -9.781 1.00 0.00 C ATOM 1248 CE3 TRP A 80 4.026 -8.460 -9.141 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.033 -6.532 -8.647 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 3.993 -7.658 -8.016 1.00 0.00 C ATOM 1251 CH2 TRP A 80 4.991 -6.704 -7.777 1.00 0.00 C ATOM 0 H TRP A 80 3.314 -7.517 -13.322 1.00 0.00 H new ATOM 0 HA TRP A 80 4.482 -9.290 -13.978 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.029 -10.535 -11.249 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.383 -10.783 -12.333 1.00 0.00 H new ATOM 0 HD1 TRP A 80 7.114 -8.602 -12.611 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.806 -6.800 -10.889 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.252 -9.192 -9.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.802 -5.797 -8.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.184 -7.768 -7.309 1.00 0.00 H new ATOM 0 HH2 TRP A 80 4.937 -6.092 -6.889 1.00 0.00 H new ATOM 1262 N GLY A 81 1.767 -10.249 -14.217 1.00 0.00 N ATOM 1263 CA GLY A 81 0.794 -11.216 -14.690 1.00 0.00 C ATOM 1264 C GLY A 81 -0.084 -11.748 -13.575 1.00 0.00 C ATOM 1265 O GLY A 81 -0.977 -12.562 -13.812 1.00 0.00 O ATOM 0 H GLY A 81 1.526 -9.275 -14.399 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.167 -10.753 -15.452 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.314 -12.047 -15.167 1.00 0.00 H new ATOM 1269 N HIS A 82 0.170 -11.289 -12.353 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.603 -11.725 -11.196 1.00 0.00 C ATOM 1271 C HIS A 82 -1.600 -10.650 -10.772 1.00 0.00 C ATOM 1272 O HIS A 82 -1.266 -9.467 -10.724 1.00 0.00 O ATOM 1273 CB HIS A 82 0.328 -12.061 -10.031 1.00 0.00 C ATOM 1274 CG HIS A 82 1.214 -13.240 -10.294 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.686 -13.751 -11.455 1.00 0.00 N flip ATOM 1276 CD2 HIS A 82 1.716 -14.042 -9.291 1.00 0.00 C flip ATOM 1277 CE1 HIS A 82 2.458 -14.841 -11.136 1.00 0.00 C flip ATOM 1278 NE2 HIS A 82 2.460 -14.995 -9.824 1.00 0.00 N flip ATOM 0 H HIS A 82 0.905 -10.615 -12.139 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.158 -12.620 -11.477 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.949 -11.193 -9.810 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.272 -12.258 -9.142 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.530 -13.912 -8.235 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.979 -15.470 -11.843 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.952 -15.726 -9.310 1.00 0.00 H new ATOM 1286 N GLN A 83 -2.823 -11.071 -10.467 1.00 0.00 N ATOM 1287 CA GLN A 83 -3.867 -10.144 -10.049 1.00 0.00 C ATOM 1288 C GLN A 83 -3.575 -9.585 -8.660 1.00 0.00 C ATOM 1289 O GLN A 83 -3.007 -10.273 -7.811 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.229 -10.840 -10.056 1.00 0.00 C ATOM 1291 CG GLN A 83 -5.611 -11.443 -8.713 1.00 0.00 C ATOM 1292 CD GLN A 83 -4.749 -12.633 -8.341 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -3.790 -12.961 -9.040 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -5.086 -13.286 -7.236 1.00 0.00 N ATOM 0 H GLN A 83 -3.115 -12.048 -10.502 1.00 0.00 H new ATOM 0 HA GLN A 83 -3.887 -9.315 -10.757 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.993 -10.122 -10.353 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.222 -11.627 -10.810 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.524 -10.680 -7.939 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.656 -11.751 -8.742 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.889 -12.979 -6.687 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.542 -14.095 -6.936 1.00 0.00 H new ATOM 1303 N ILE A 84 -3.967 -8.336 -8.436 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.748 -7.686 -7.149 1.00 0.00 C ATOM 1305 C ILE A 84 -4.990 -6.924 -6.700 1.00 0.00 C ATOM 1306 O ILE A 84 -5.816 -6.523 -7.519 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.556 -6.713 -7.206 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.636 -5.846 -8.465 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.243 -7.481 -7.169 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.411 -4.563 -8.266 1.00 0.00 C ATOM 0 H ILE A 84 -4.438 -7.753 -9.128 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.529 -8.475 -6.430 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.598 -6.060 -6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.626 -5.603 -8.794 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.102 -6.422 -9.264 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.410 -6.779 -7.210 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.186 -8.059 -6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.192 -8.155 -8.024 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.427 -3.999 -9.199 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.432 -4.798 -7.966 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.933 -3.966 -7.489 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.115 -6.728 -5.391 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.255 -6.010 -4.832 1.00 0.00 C ATOM 1324 C ALA A 85 -5.804 -4.989 -3.794 1.00 0.00 C ATOM 1325 O ALA A 85 -4.951 -5.276 -2.954 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.244 -6.989 -4.217 1.00 0.00 C ATOM 0 H ALA A 85 -4.442 -7.056 -4.698 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.748 -5.472 -5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.090 -6.440 -3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.598 -7.678 -4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.753 -7.551 -3.423 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.382 -3.793 -3.857 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.040 -2.728 -2.922 1.00 0.00 C ATOM 1334 C VAL A 86 -7.096 -2.595 -1.831 1.00 0.00 C ATOM 1335 O VAL A 86 -8.294 -2.558 -2.113 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.889 -1.375 -3.643 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.636 -1.368 -4.507 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.124 -1.076 -4.478 1.00 0.00 C ATOM 0 H VAL A 86 -7.089 -3.538 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.086 -2.998 -2.469 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.788 -0.591 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.545 -0.405 -5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.760 -1.534 -3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.704 -2.160 -5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.000 -0.117 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.259 -1.861 -5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.000 -1.036 -3.831 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.645 -2.522 -0.584 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.551 -2.391 0.551 1.00 0.00 C ATOM 1350 C ASP A 87 -7.046 -1.336 1.531 1.00 0.00 C ATOM 1351 O ASP A 87 -5.840 -1.130 1.669 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.706 -3.735 1.265 1.00 0.00 C ATOM 1353 CG ASP A 87 -8.025 -3.574 2.738 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -9.220 -3.449 3.076 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -7.079 -3.573 3.554 1.00 0.00 O ATOM 0 H ASP A 87 -5.657 -2.551 -0.333 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.523 -2.074 0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.499 -4.309 0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.786 -4.309 1.156 1.00 0.00 H new ATOM 1360 N TRP A 88 -7.976 -0.671 2.207 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.624 0.364 3.173 1.00 0.00 C ATOM 1362 C TRP A 88 -6.836 -0.224 4.338 1.00 0.00 C ATOM 1363 O TRP A 88 -7.399 -0.885 5.210 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.886 1.055 3.692 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.285 2.251 2.881 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.518 2.510 2.355 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.446 3.348 2.503 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.497 3.702 1.672 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.238 4.236 1.749 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -7.105 3.667 2.729 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.730 5.420 1.220 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.602 4.842 2.204 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.413 5.708 1.457 1.00 0.00 C ATOM 0 H TRP A 88 -8.978 -0.830 2.104 1.00 0.00 H new ATOM 0 HA TRP A 88 -6.996 1.099 2.669 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.707 0.339 3.698 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.724 1.363 4.725 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.383 1.872 2.460 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.290 4.121 1.186 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.472 3.007 3.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.353 6.087 0.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.566 5.098 2.372 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.991 6.620 1.061 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.530 0.020 4.346 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.665 -0.483 5.405 1.00 0.00 C ATOM 1386 C ALA A 89 -5.387 -0.487 6.748 1.00 0.00 C ATOM 1387 O ALA A 89 -5.387 -1.491 7.460 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.394 0.349 5.490 1.00 0.00 C ATOM 0 H ALA A 89 -5.048 0.563 3.630 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.397 -1.511 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.758 -0.039 6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.861 0.297 4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.652 1.386 5.705 1.00 0.00 H new