USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 467 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 60 ASN : amide:sc= -4.21! C(o=-6.3!,f=-20!) USER MOD Set 1.2: A 62 THR OG1 : rot -150:sc= -2.08! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 162:sc= -0.0422 (180deg=-0.385) USER MOD Single : A 26 CYS SG : rot -106:sc= 0.125 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 42 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 49 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.1) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 160:sc= -0.893 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N ILE A 9 -15.056 -6.981 3.110 1.00 0.00 N ATOM 122 CA ILE A 9 -14.507 -5.666 3.412 1.00 0.00 C ATOM 123 C ILE A 9 -13.673 -5.719 4.685 1.00 0.00 C ATOM 124 O ILE A 9 -12.588 -5.147 4.739 1.00 0.00 O ATOM 125 CB ILE A 9 -15.631 -4.625 3.560 1.00 0.00 C ATOM 126 CG1 ILE A 9 -16.254 -4.364 2.184 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.055 -3.320 4.135 1.00 0.00 C ATOM 128 CD1 ILE A 9 -17.454 -3.426 2.321 1.00 0.00 C ATOM 0 HA ILE A 9 -13.867 -5.367 2.582 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.396 -5.000 4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.512 -3.924 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.568 -5.306 1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -15.853 -2.585 4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.613 -3.517 5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -14.290 -2.933 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.890 -3.247 1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -18.200 -3.883 2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.128 -2.479 2.752 1.00 0.00 H new ATOM 140 N VAL A 10 -14.174 -6.407 5.704 1.00 0.00 N ATOM 141 CA VAL A 10 -13.441 -6.504 6.961 1.00 0.00 C ATOM 142 C VAL A 10 -12.049 -7.057 6.695 1.00 0.00 C ATOM 143 O VAL A 10 -11.062 -6.533 7.211 1.00 0.00 O ATOM 144 CB VAL A 10 -14.197 -7.408 7.948 1.00 0.00 C ATOM 145 CG1 VAL A 10 -13.280 -7.799 9.115 1.00 0.00 C ATOM 146 CG2 VAL A 10 -15.421 -6.658 8.498 1.00 0.00 C ATOM 0 H VAL A 10 -15.068 -6.898 5.687 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.352 -5.512 7.403 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.519 -8.309 7.426 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.826 -8.439 9.808 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.412 -8.336 8.732 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.950 -6.900 9.635 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.957 -7.300 9.198 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.093 -5.754 9.012 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.082 -6.388 7.675 1.00 0.00 H new ATOM 156 N ASP A 11 -11.962 -8.101 5.882 1.00 0.00 N ATOM 157 CA ASP A 11 -10.658 -8.672 5.571 1.00 0.00 C ATOM 158 C ASP A 11 -9.765 -7.608 4.929 1.00 0.00 C ATOM 159 O ASP A 11 -8.636 -7.384 5.363 1.00 0.00 O ATOM 160 CB ASP A 11 -10.816 -9.861 4.620 1.00 0.00 C ATOM 161 CG ASP A 11 -9.446 -10.415 4.241 1.00 0.00 C ATOM 162 OD1 ASP A 11 -8.738 -10.859 5.131 1.00 0.00 O ATOM 163 OD2 ASP A 11 -9.124 -10.389 3.064 1.00 0.00 O ATOM 0 H ASP A 11 -12.756 -8.560 5.436 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.195 -9.019 6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.413 -10.640 5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.352 -9.551 3.723 1.00 0.00 H new ATOM 168 N PHE A 12 -10.287 -6.956 3.893 1.00 0.00 N ATOM 169 CA PHE A 12 -9.525 -5.919 3.203 1.00 0.00 C ATOM 170 C PHE A 12 -9.151 -4.818 4.183 1.00 0.00 C ATOM 171 O PHE A 12 -7.994 -4.401 4.248 1.00 0.00 O ATOM 172 CB PHE A 12 -10.336 -5.324 2.048 1.00 0.00 C ATOM 173 CG PHE A 12 -10.409 -6.318 0.906 1.00 0.00 C ATOM 174 CD1 PHE A 12 -9.241 -6.696 0.230 1.00 0.00 C ATOM 175 CD2 PHE A 12 -11.642 -6.863 0.523 1.00 0.00 C ATOM 176 CE1 PHE A 12 -9.308 -7.616 -0.823 1.00 0.00 C ATOM 177 CE2 PHE A 12 -11.705 -7.782 -0.530 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.537 -8.157 -1.203 1.00 0.00 C ATOM 0 H PHE A 12 -11.220 -7.124 3.517 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.621 -6.371 2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.341 -5.073 2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.874 -4.397 1.707 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.289 -6.277 0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.544 -6.573 1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.407 -7.908 -1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.656 -8.202 -0.824 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.587 -8.865 -2.017 1.00 0.00 H new ATOM 188 N LYS A 13 -10.131 -4.348 4.943 1.00 0.00 N ATOM 189 CA LYS A 13 -9.881 -3.294 5.912 1.00 0.00 C ATOM 190 C LYS A 13 -8.782 -3.720 6.884 1.00 0.00 C ATOM 191 O LYS A 13 -7.955 -2.904 7.288 1.00 0.00 O ATOM 192 CB LYS A 13 -11.192 -2.971 6.676 1.00 0.00 C ATOM 193 CG LYS A 13 -11.492 -1.463 6.640 1.00 0.00 C ATOM 194 CD LYS A 13 -10.487 -0.701 7.520 1.00 0.00 C ATOM 195 CE LYS A 13 -10.970 -0.682 8.976 1.00 0.00 C ATOM 196 NZ LYS A 13 -10.004 0.080 9.809 1.00 0.00 N ATOM 0 H LYS A 13 -11.096 -4.677 4.907 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.545 -2.397 5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.021 -3.521 6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.106 -3.304 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.438 -1.098 5.614 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.507 -1.278 6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.507 -1.174 7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.371 0.319 7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.958 -0.225 9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.066 -1.701 9.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.331 0.093 10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.070 -0.374 9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.934 1.055 9.455 1.00 0.00 H new ATOM 210 N GLU A 14 -8.766 -4.995 7.254 1.00 0.00 N ATOM 211 CA GLU A 14 -7.750 -5.478 8.171 1.00 0.00 C ATOM 212 C GLU A 14 -6.385 -5.435 7.514 1.00 0.00 C ATOM 213 O GLU A 14 -5.400 -5.042 8.129 1.00 0.00 O ATOM 214 CB GLU A 14 -8.065 -6.907 8.587 1.00 0.00 C ATOM 215 CG GLU A 14 -7.221 -7.285 9.809 1.00 0.00 C ATOM 216 CD GLU A 14 -7.737 -6.558 11.048 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.784 -5.937 10.953 1.00 0.00 O ATOM 218 OE2 GLU A 14 -7.079 -6.632 12.072 1.00 0.00 O ATOM 0 H GLU A 14 -9.433 -5.699 6.938 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.743 -4.835 9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.125 -7.003 8.821 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.857 -7.590 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.259 -8.363 9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.177 -7.025 9.634 1.00 0.00 H new ATOM 225 N ALA A 15 -6.342 -5.828 6.249 1.00 0.00 N ATOM 226 CA ALA A 15 -5.082 -5.812 5.514 1.00 0.00 C ATOM 227 C ALA A 15 -4.556 -4.384 5.406 1.00 0.00 C ATOM 228 O ALA A 15 -3.388 -4.124 5.697 1.00 0.00 O ATOM 229 CB ALA A 15 -5.259 -6.405 4.111 1.00 0.00 C ATOM 0 H ALA A 15 -7.148 -6.156 5.717 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.363 -6.422 6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.306 -6.382 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.604 -7.436 4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.994 -5.819 3.559 1.00 0.00 H new ATOM 235 N PHE A 16 -5.420 -3.455 4.995 1.00 0.00 N ATOM 236 CA PHE A 16 -5.016 -2.061 4.868 1.00 0.00 C ATOM 237 C PHE A 16 -4.625 -1.483 6.222 1.00 0.00 C ATOM 238 O PHE A 16 -3.573 -0.856 6.358 1.00 0.00 O ATOM 239 CB PHE A 16 -6.168 -1.245 4.283 1.00 0.00 C ATOM 240 CG PHE A 16 -5.747 0.198 4.159 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.114 0.644 2.994 1.00 0.00 C ATOM 242 CD2 PHE A 16 -5.994 1.090 5.209 1.00 0.00 C ATOM 243 CE1 PHE A 16 -4.728 1.983 2.879 1.00 0.00 C ATOM 244 CE2 PHE A 16 -5.607 2.428 5.092 1.00 0.00 C ATOM 245 CZ PHE A 16 -4.975 2.873 3.927 1.00 0.00 C ATOM 0 H PHE A 16 -6.392 -3.642 4.748 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.152 -2.013 4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.448 -1.639 3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.047 -1.325 4.923 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.924 -0.045 2.184 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.483 0.745 6.108 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.239 2.329 1.980 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.796 3.118 5.901 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.677 3.907 3.837 1.00 0.00 H new ATOM 255 N GLY A 17 -5.479 -1.681 7.221 1.00 0.00 N ATOM 256 CA GLY A 17 -5.198 -1.157 8.548 1.00 0.00 C ATOM 257 C GLY A 17 -3.846 -1.648 9.036 1.00 0.00 C ATOM 258 O GLY A 17 -3.044 -0.872 9.554 1.00 0.00 O ATOM 0 H GLY A 17 -6.358 -2.193 7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.210 -0.067 8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.978 -1.470 9.242 1.00 0.00 H new ATOM 262 N LEU A 18 -3.589 -2.940 8.865 1.00 0.00 N ATOM 263 CA LEU A 18 -2.323 -3.510 9.289 1.00 0.00 C ATOM 264 C LEU A 18 -1.182 -2.870 8.496 1.00 0.00 C ATOM 265 O LEU A 18 -0.110 -2.595 9.031 1.00 0.00 O ATOM 266 CB LEU A 18 -2.351 -5.036 9.058 1.00 0.00 C ATOM 267 CG LEU A 18 -1.447 -5.758 10.073 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.512 -7.273 9.837 1.00 0.00 C ATOM 269 CD2 LEU A 18 0.001 -5.273 9.927 1.00 0.00 C ATOM 0 H LEU A 18 -4.236 -3.604 8.440 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.164 -3.314 10.349 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.373 -5.404 9.148 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.020 -5.261 8.044 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.796 -5.534 11.081 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.871 -7.781 10.557 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.539 -7.617 9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.172 -7.499 8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.632 -5.790 10.650 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.356 -5.485 8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.045 -4.199 10.109 1.00 0.00 H new ATOM 281 N PHE A 19 -1.423 -2.644 7.209 1.00 0.00 N ATOM 282 CA PHE A 19 -0.407 -2.051 6.345 1.00 0.00 C ATOM 283 C PHE A 19 -0.102 -0.641 6.784 1.00 0.00 C ATOM 284 O PHE A 19 1.055 -0.222 6.824 1.00 0.00 O ATOM 285 CB PHE A 19 -0.889 -2.062 4.889 1.00 0.00 C ATOM 286 CG PHE A 19 -0.886 -3.485 4.327 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.821 -4.624 5.172 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.948 -3.670 2.935 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.817 -5.904 4.626 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.941 -4.970 2.400 1.00 0.00 C ATOM 291 CZ PHE A 19 -0.874 -6.079 3.247 1.00 0.00 C ATOM 0 H PHE A 19 -2.305 -2.860 6.744 1.00 0.00 H new ATOM 0 HA PHE A 19 0.507 -2.641 6.420 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.894 -1.645 4.831 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.244 -1.425 4.283 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.774 -4.496 6.243 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.001 -2.815 2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.769 -6.765 5.276 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.988 -5.112 1.330 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.866 -7.075 2.830 1.00 0.00 H new ATOM 301 N ASP A 20 -1.144 0.085 7.122 1.00 0.00 N ATOM 302 CA ASP A 20 -0.992 1.452 7.571 1.00 0.00 C ATOM 303 C ASP A 20 -0.653 1.473 9.060 1.00 0.00 C ATOM 304 O ASP A 20 -1.340 2.109 9.858 1.00 0.00 O ATOM 305 CB ASP A 20 -2.297 2.191 7.305 1.00 0.00 C ATOM 306 CG ASP A 20 -2.245 3.590 7.901 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.212 4.224 7.783 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.241 4.007 8.466 1.00 0.00 O ATOM 0 H ASP A 20 -2.108 -0.248 7.095 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.180 1.941 7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.475 2.253 6.231 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.131 1.636 7.735 1.00 0.00 H new ATOM 313 N LYS A 21 0.400 0.734 9.420 1.00 0.00 N ATOM 314 CA LYS A 21 0.829 0.632 10.814 1.00 0.00 C ATOM 315 C LYS A 21 0.718 1.977 11.537 1.00 0.00 C ATOM 316 O LYS A 21 0.721 2.022 12.766 1.00 0.00 O ATOM 317 CB LYS A 21 2.278 0.142 10.899 1.00 0.00 C ATOM 318 CG LYS A 21 2.366 -1.306 10.407 1.00 0.00 C ATOM 319 CD LYS A 21 3.800 -1.803 10.566 1.00 0.00 C ATOM 320 CE LYS A 21 3.893 -3.271 10.131 1.00 0.00 C ATOM 321 NZ LYS A 21 3.570 -3.379 8.681 1.00 0.00 N ATOM 0 H LYS A 21 0.970 0.199 8.765 1.00 0.00 H new ATOM 0 HA LYS A 21 0.167 -0.085 11.300 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.923 0.781 10.296 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.634 0.209 11.927 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.684 -1.938 10.976 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.061 -1.367 9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.475 -1.193 9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.117 -1.701 11.604 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.895 -3.655 10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.202 -3.879 10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.919 -4.288 8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.540 -3.325 8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.026 -2.600 8.165 1.00 0.00 H new ATOM 335 N ASP A 22 0.640 3.079 10.781 1.00 0.00 N ATOM 336 CA ASP A 22 0.553 4.404 11.397 1.00 0.00 C ATOM 337 C ASP A 22 -0.897 4.771 11.725 1.00 0.00 C ATOM 338 O ASP A 22 -1.157 5.526 12.664 1.00 0.00 O ATOM 339 CB ASP A 22 1.119 5.441 10.425 1.00 0.00 C ATOM 340 CG ASP A 22 2.385 4.899 9.776 1.00 0.00 C ATOM 341 OD1 ASP A 22 3.318 4.587 10.500 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.396 4.801 8.560 1.00 0.00 O ATOM 0 H ASP A 22 0.635 3.079 9.761 1.00 0.00 H new ATOM 0 HA ASP A 22 1.124 4.390 12.326 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.380 5.678 9.660 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.339 6.368 10.954 1.00 0.00 H new ATOM 347 N GLY A 23 -1.838 4.232 10.950 1.00 0.00 N ATOM 348 CA GLY A 23 -3.255 4.514 11.179 1.00 0.00 C ATOM 349 C GLY A 23 -3.660 5.876 10.614 1.00 0.00 C ATOM 350 O GLY A 23 -4.739 6.381 10.920 1.00 0.00 O ATOM 0 H GLY A 23 -1.649 3.605 10.168 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.860 3.734 10.717 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.463 4.487 12.249 1.00 0.00 H new ATOM 354 N ASP A 24 -2.785 6.484 9.815 1.00 0.00 N ATOM 355 CA ASP A 24 -3.079 7.798 9.257 1.00 0.00 C ATOM 356 C ASP A 24 -4.238 7.719 8.276 1.00 0.00 C ATOM 357 O ASP A 24 -4.855 8.734 7.953 1.00 0.00 O ATOM 358 CB ASP A 24 -1.850 8.358 8.541 1.00 0.00 C ATOM 359 CG ASP A 24 -0.632 8.279 9.453 1.00 0.00 C ATOM 360 OD1 ASP A 24 -0.770 8.589 10.623 1.00 0.00 O ATOM 361 OD2 ASP A 24 0.424 7.908 8.963 1.00 0.00 O ATOM 0 H ASP A 24 -1.882 6.094 9.544 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.353 8.459 10.079 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.665 7.796 7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.029 9.393 8.249 1.00 0.00 H new ATOM 366 N GLY A 25 -4.538 6.511 7.801 1.00 0.00 N ATOM 367 CA GLY A 25 -5.632 6.316 6.854 1.00 0.00 C ATOM 368 C GLY A 25 -5.100 6.198 5.432 1.00 0.00 C ATOM 369 O GLY A 25 -5.828 5.798 4.524 1.00 0.00 O ATOM 0 H GLY A 25 -4.041 5.657 8.055 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.189 5.416 7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.329 7.152 6.919 1.00 0.00 H new ATOM 373 N CYS A 26 -3.830 6.563 5.240 1.00 0.00 N ATOM 374 CA CYS A 26 -3.208 6.505 3.909 1.00 0.00 C ATOM 375 C CYS A 26 -1.846 5.811 3.966 1.00 0.00 C ATOM 376 O CYS A 26 -1.014 6.124 4.824 1.00 0.00 O ATOM 377 CB CYS A 26 -3.031 7.927 3.356 1.00 0.00 C ATOM 378 SG CYS A 26 -4.464 8.934 3.811 1.00 0.00 S ATOM 0 H CYS A 26 -3.214 6.899 5.980 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.863 5.930 3.254 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.119 8.372 3.754 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.924 7.896 2.272 1.00 0.00 H new ATOM 0 HG CYS A 26 -5.212 9.123 2.764 1.00 0.00 H new ATOM 384 N ILE A 27 -1.618 4.876 3.040 1.00 0.00 N ATOM 385 CA ILE A 27 -0.341 4.161 2.984 1.00 0.00 C ATOM 386 C ILE A 27 0.559 4.824 1.944 1.00 0.00 C ATOM 387 O ILE A 27 0.258 4.790 0.750 1.00 0.00 O ATOM 388 CB ILE A 27 -0.558 2.699 2.568 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.483 1.983 3.557 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.791 1.972 2.549 1.00 0.00 C ATOM 391 CD1 ILE A 27 -1.953 0.666 2.935 1.00 0.00 C ATOM 0 H ILE A 27 -2.292 4.599 2.327 1.00 0.00 H new ATOM 0 HA ILE A 27 0.117 4.193 3.972 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.015 2.688 1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.958 1.791 4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.339 2.614 3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.641 0.934 2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.457 2.459 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.237 2.006 3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.612 0.149 3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.492 0.872 2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.089 0.037 2.718 1.00 0.00 H new ATOM 403 N THR A 28 1.665 5.415 2.385 1.00 0.00 N ATOM 404 CA THR A 28 2.582 6.059 1.449 1.00 0.00 C ATOM 405 C THR A 28 3.441 5.002 0.771 1.00 0.00 C ATOM 406 O THR A 28 3.493 3.858 1.221 1.00 0.00 O ATOM 407 CB THR A 28 3.480 7.062 2.180 1.00 0.00 C ATOM 408 OG1 THR A 28 4.278 6.375 3.134 1.00 0.00 O ATOM 409 CG2 THR A 28 2.616 8.104 2.889 1.00 0.00 C ATOM 0 H THR A 28 1.945 5.462 3.365 1.00 0.00 H new ATOM 0 HA THR A 28 2.000 6.595 0.700 1.00 0.00 H new ATOM 0 HB THR A 28 4.126 7.562 1.459 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.854 7.016 3.601 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.257 8.816 3.408 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.007 8.632 2.155 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.966 7.608 3.610 1.00 0.00 H new ATOM 417 N VAL A 29 4.107 5.374 -0.317 1.00 0.00 N ATOM 418 CA VAL A 29 4.939 4.414 -1.031 1.00 0.00 C ATOM 419 C VAL A 29 5.973 3.797 -0.089 1.00 0.00 C ATOM 420 O VAL A 29 6.232 2.595 -0.138 1.00 0.00 O ATOM 421 CB VAL A 29 5.649 5.089 -2.213 1.00 0.00 C ATOM 422 CG1 VAL A 29 4.648 5.941 -2.994 1.00 0.00 C ATOM 423 CG2 VAL A 29 6.787 5.981 -1.704 1.00 0.00 C ATOM 0 H VAL A 29 4.089 6.312 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 29 4.293 3.624 -1.413 1.00 0.00 H new ATOM 0 HB VAL A 29 6.062 4.319 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.154 6.419 -3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.845 5.307 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.231 6.705 -2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.284 6.455 -2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.381 6.749 -1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.506 5.374 -1.154 1.00 0.00 H new ATOM 433 N GLU A 30 6.557 4.628 0.768 1.00 0.00 N ATOM 434 CA GLU A 30 7.552 4.146 1.710 1.00 0.00 C ATOM 435 C GLU A 30 6.936 3.096 2.628 1.00 0.00 C ATOM 436 O GLU A 30 7.544 2.059 2.900 1.00 0.00 O ATOM 437 CB GLU A 30 8.089 5.309 2.541 1.00 0.00 C ATOM 438 CG GLU A 30 8.909 6.242 1.649 1.00 0.00 C ATOM 439 CD GLU A 30 9.448 7.410 2.469 1.00 0.00 C ATOM 440 OE1 GLU A 30 8.703 7.932 3.282 1.00 0.00 O ATOM 441 OE2 GLU A 30 10.599 7.765 2.271 1.00 0.00 O ATOM 0 H GLU A 30 6.359 5.627 0.828 1.00 0.00 H new ATOM 0 HA GLU A 30 8.374 3.695 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.263 5.857 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.707 4.932 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.735 5.693 1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.290 6.615 0.833 1.00 0.00 H new ATOM 448 N GLU A 31 5.718 3.364 3.091 1.00 0.00 N ATOM 449 CA GLU A 31 5.025 2.429 3.961 1.00 0.00 C ATOM 450 C GLU A 31 4.652 1.171 3.193 1.00 0.00 C ATOM 451 O GLU A 31 4.816 0.057 3.687 1.00 0.00 O ATOM 452 CB GLU A 31 3.763 3.077 4.516 1.00 0.00 C ATOM 453 CG GLU A 31 4.145 4.209 5.471 1.00 0.00 C ATOM 454 CD GLU A 31 2.888 4.937 5.925 1.00 0.00 C ATOM 455 OE1 GLU A 31 1.811 4.487 5.573 1.00 0.00 O ATOM 456 OE2 GLU A 31 3.020 5.940 6.608 1.00 0.00 O ATOM 0 H GLU A 31 5.197 4.215 2.878 1.00 0.00 H new ATOM 0 HA GLU A 31 5.688 2.161 4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.153 3.466 3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.160 2.334 5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.677 3.807 6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.822 4.905 4.975 1.00 0.00 H new ATOM 463 N LEU A 32 4.164 1.352 1.973 1.00 0.00 N ATOM 464 CA LEU A 32 3.798 0.201 1.169 1.00 0.00 C ATOM 465 C LEU A 32 5.047 -0.632 0.924 1.00 0.00 C ATOM 466 O LEU A 32 5.036 -1.852 1.093 1.00 0.00 O ATOM 467 CB LEU A 32 3.179 0.655 -0.171 1.00 0.00 C ATOM 468 CG LEU A 32 2.876 -0.550 -1.096 1.00 0.00 C ATOM 469 CD1 LEU A 32 4.174 -1.118 -1.720 1.00 0.00 C ATOM 470 CD2 LEU A 32 2.147 -1.653 -0.308 1.00 0.00 C ATOM 0 H LEU A 32 4.016 2.259 1.531 1.00 0.00 H new ATOM 0 HA LEU A 32 3.053 -0.397 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.259 1.207 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.862 1.339 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 32 2.234 -0.200 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.929 -1.963 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.664 -0.343 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.844 -1.449 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.939 -2.495 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.776 -1.986 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.209 -1.260 0.085 1.00 0.00 H new ATOM 482 N ALA A 33 6.131 0.033 0.539 1.00 0.00 N ATOM 483 CA ALA A 33 7.380 -0.666 0.281 1.00 0.00 C ATOM 484 C ALA A 33 7.764 -1.517 1.485 1.00 0.00 C ATOM 485 O ALA A 33 8.231 -2.645 1.333 1.00 0.00 O ATOM 486 CB ALA A 33 8.491 0.340 -0.022 1.00 0.00 C ATOM 0 H ALA A 33 6.169 1.043 0.401 1.00 0.00 H new ATOM 0 HA ALA A 33 7.246 -1.317 -0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.422 -0.193 -0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.221 0.927 -0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.623 1.005 0.832 1.00 0.00 H new ATOM 492 N THR A 34 7.538 -0.982 2.679 1.00 0.00 N ATOM 493 CA THR A 34 7.840 -1.728 3.892 1.00 0.00 C ATOM 494 C THR A 34 6.962 -2.983 3.966 1.00 0.00 C ATOM 495 O THR A 34 7.449 -4.060 4.306 1.00 0.00 O ATOM 496 CB THR A 34 7.640 -0.838 5.133 1.00 0.00 C ATOM 497 OG1 THR A 34 8.755 0.036 5.255 1.00 0.00 O ATOM 498 CG2 THR A 34 7.521 -1.691 6.405 1.00 0.00 C ATOM 0 H THR A 34 7.153 -0.050 2.832 1.00 0.00 H new ATOM 0 HA THR A 34 8.884 -2.040 3.868 1.00 0.00 H new ATOM 0 HB THR A 34 6.719 -0.267 5.014 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.637 0.609 6.041 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.380 -1.040 7.268 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.667 -2.363 6.314 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.431 -2.277 6.537 1.00 0.00 H new ATOM 506 N VAL A 35 5.669 -2.849 3.643 1.00 0.00 N ATOM 507 CA VAL A 35 4.778 -4.004 3.686 1.00 0.00 C ATOM 508 C VAL A 35 5.188 -5.034 2.637 1.00 0.00 C ATOM 509 O VAL A 35 5.331 -6.217 2.940 1.00 0.00 O ATOM 510 CB VAL A 35 3.318 -3.580 3.470 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.442 -4.832 3.297 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.841 -2.799 4.693 1.00 0.00 C ATOM 0 H VAL A 35 5.230 -1.974 3.357 1.00 0.00 H new ATOM 0 HA VAL A 35 4.861 -4.457 4.674 1.00 0.00 H new ATOM 0 HB VAL A 35 3.244 -2.957 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.405 -4.532 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.787 -5.401 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.512 -5.451 4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.805 -2.494 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.913 -3.430 5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.464 -1.915 4.826 1.00 0.00 H new ATOM 522 N ILE A 36 5.397 -4.577 1.410 1.00 0.00 N ATOM 523 CA ILE A 36 5.809 -5.475 0.341 1.00 0.00 C ATOM 524 C ILE A 36 7.186 -6.042 0.649 1.00 0.00 C ATOM 525 O ILE A 36 7.445 -7.223 0.417 1.00 0.00 O ATOM 526 CB ILE A 36 5.797 -4.755 -1.025 1.00 0.00 C ATOM 527 CG1 ILE A 36 4.353 -4.700 -1.574 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.706 -5.482 -2.032 1.00 0.00 C ATOM 529 CD1 ILE A 36 3.985 -6.026 -2.266 1.00 0.00 C ATOM 0 H ILE A 36 5.290 -3.601 1.132 1.00 0.00 H new ATOM 0 HA ILE A 36 5.097 -6.298 0.280 1.00 0.00 H new ATOM 0 HB ILE A 36 6.174 -3.742 -0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.656 -4.503 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.258 -3.876 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.683 -4.958 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.728 -5.500 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.352 -6.504 -2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.965 -5.967 -2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.671 -6.207 -3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.059 -6.843 -1.549 1.00 0.00 H new ATOM 541 N ARG A 37 8.064 -5.200 1.164 1.00 0.00 N ATOM 542 CA ARG A 37 9.408 -5.636 1.495 1.00 0.00 C ATOM 543 C ARG A 37 9.369 -6.773 2.509 1.00 0.00 C ATOM 544 O ARG A 37 10.116 -7.743 2.395 1.00 0.00 O ATOM 545 CB ARG A 37 10.200 -4.457 2.068 1.00 0.00 C ATOM 546 CG ARG A 37 11.556 -4.941 2.589 1.00 0.00 C ATOM 547 CD ARG A 37 12.402 -3.746 3.003 1.00 0.00 C ATOM 548 NE ARG A 37 12.909 -3.053 1.826 1.00 0.00 N ATOM 549 CZ ARG A 37 13.469 -1.856 1.933 1.00 0.00 C ATOM 550 NH1 ARG A 37 13.565 -1.288 3.103 1.00 0.00 N ATOM 551 NH2 ARG A 37 13.924 -1.252 0.870 1.00 0.00 N ATOM 0 H ARG A 37 7.873 -4.218 1.361 1.00 0.00 H new ATOM 0 HA ARG A 37 9.893 -5.998 0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.346 -3.698 1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.637 -3.988 2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.413 -5.609 3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.070 -5.513 1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.806 -3.062 3.608 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.234 -4.078 3.624 1.00 0.00 H new ATOM 0 HE ARG A 37 12.832 -3.494 0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.210 -1.765 3.932 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.995 -0.367 3.189 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.849 -1.701 -0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.355 -0.331 0.952 1.00 0.00 H new ATOM 565 N SER A 38 8.500 -6.643 3.498 1.00 0.00 N ATOM 566 CA SER A 38 8.379 -7.667 4.526 1.00 0.00 C ATOM 567 C SER A 38 7.551 -8.837 4.020 1.00 0.00 C ATOM 568 O SER A 38 7.614 -9.935 4.574 1.00 0.00 O ATOM 569 CB SER A 38 7.708 -7.079 5.773 1.00 0.00 C ATOM 570 OG SER A 38 8.653 -6.309 6.502 1.00 0.00 O ATOM 0 H SER A 38 7.873 -5.847 3.612 1.00 0.00 H new ATOM 0 HA SER A 38 9.379 -8.020 4.777 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.861 -6.456 5.484 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.315 -7.880 6.399 1.00 0.00 H new ATOM 0 HG SER A 38 8.223 -5.932 7.298 1.00 0.00 H new ATOM 576 N LEU A 39 6.745 -8.598 2.993 1.00 0.00 N ATOM 577 CA LEU A 39 5.882 -9.642 2.469 1.00 0.00 C ATOM 578 C LEU A 39 6.667 -10.816 1.886 1.00 0.00 C ATOM 579 O LEU A 39 6.349 -11.959 2.183 1.00 0.00 O ATOM 580 CB LEU A 39 4.956 -9.053 1.388 1.00 0.00 C ATOM 581 CG LEU A 39 3.726 -9.958 1.187 1.00 0.00 C ATOM 582 CD1 LEU A 39 2.632 -9.187 0.439 1.00 0.00 C ATOM 583 CD2 LEU A 39 4.093 -11.240 0.406 1.00 0.00 C ATOM 0 H LEU A 39 6.673 -7.701 2.513 1.00 0.00 H new ATOM 0 HA LEU A 39 5.296 -10.027 3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.636 -8.053 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.500 -8.953 0.449 1.00 0.00 H new ATOM 0 HG LEU A 39 3.359 -10.255 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.764 -9.831 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.344 -8.310 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.010 -8.871 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.203 -11.857 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.487 -10.969 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.848 -11.799 0.959 1.00 0.00 H new ATOM 595 N ASP A 40 7.704 -10.520 1.086 1.00 0.00 N ATOM 596 CA ASP A 40 8.546 -11.571 0.467 1.00 0.00 C ATOM 597 C ASP A 40 9.182 -11.078 -0.840 1.00 0.00 C ATOM 598 O ASP A 40 9.896 -11.832 -1.501 1.00 0.00 O ATOM 599 CB ASP A 40 7.715 -12.844 0.157 1.00 0.00 C ATOM 600 CG ASP A 40 7.756 -13.827 1.329 1.00 0.00 C ATOM 601 OD1 ASP A 40 8.828 -14.023 1.874 1.00 0.00 O ATOM 602 OD2 ASP A 40 6.710 -14.362 1.667 1.00 0.00 O ATOM 0 H ASP A 40 7.983 -9.568 0.850 1.00 0.00 H new ATOM 0 HA ASP A 40 9.329 -11.809 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.682 -12.566 -0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.103 -13.326 -0.740 1.00 0.00 H new ATOM 607 N GLN A 41 8.924 -9.831 -1.217 1.00 0.00 N ATOM 608 CA GLN A 41 9.486 -9.286 -2.457 1.00 0.00 C ATOM 609 C GLN A 41 9.878 -7.831 -2.246 1.00 0.00 C ATOM 610 O GLN A 41 9.341 -7.161 -1.367 1.00 0.00 O ATOM 611 CB GLN A 41 8.456 -9.385 -3.590 1.00 0.00 C ATOM 612 CG GLN A 41 9.120 -9.034 -4.926 1.00 0.00 C ATOM 613 CD GLN A 41 8.122 -9.190 -6.069 1.00 0.00 C ATOM 614 OE1 GLN A 41 6.956 -9.508 -5.835 1.00 0.00 O ATOM 615 NE2 GLN A 41 8.512 -8.983 -7.297 1.00 0.00 N ATOM 0 H GLN A 41 8.337 -9.182 -0.693 1.00 0.00 H new ATOM 0 HA GLN A 41 10.370 -9.863 -2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.043 -10.393 -3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.624 -8.708 -3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.493 -8.010 -4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.980 -9.682 -5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.479 -8.720 -7.488 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.850 -9.085 -8.066 1.00 0.00 H new ATOM 624 N ASN A 42 10.821 -7.342 -3.051 1.00 0.00 N ATOM 625 CA ASN A 42 11.279 -5.957 -2.929 1.00 0.00 C ATOM 626 C ASN A 42 11.398 -5.292 -4.302 1.00 0.00 C ATOM 627 O ASN A 42 12.496 -5.142 -4.836 1.00 0.00 O ATOM 628 CB ASN A 42 12.639 -5.922 -2.219 1.00 0.00 C ATOM 629 CG ASN A 42 12.676 -6.967 -1.110 1.00 0.00 C ATOM 630 OD1 ASN A 42 11.977 -6.833 -0.106 1.00 0.00 O ATOM 631 ND2 ASN A 42 13.454 -8.007 -1.234 1.00 0.00 N ATOM 0 H ASN A 42 11.279 -7.878 -3.788 1.00 0.00 H new ATOM 0 HA ASN A 42 10.543 -5.405 -2.344 1.00 0.00 H new ATOM 0 HB2 ASN A 42 13.438 -6.112 -2.936 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.815 -4.931 -1.802 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.484 -8.712 -0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.032 -8.115 -2.067 1.00 0.00 H new ATOM 638 N PRO A 43 10.297 -4.880 -4.870 1.00 0.00 N ATOM 639 CA PRO A 43 10.283 -4.198 -6.199 1.00 0.00 C ATOM 640 C PRO A 43 10.956 -2.826 -6.116 1.00 0.00 C ATOM 641 O PRO A 43 10.998 -2.219 -5.047 1.00 0.00 O ATOM 642 CB PRO A 43 8.781 -4.073 -6.545 1.00 0.00 C ATOM 643 CG PRO A 43 8.073 -4.978 -5.583 1.00 0.00 C ATOM 644 CD PRO A 43 8.940 -5.017 -4.328 1.00 0.00 C ATOM 0 HA PRO A 43 10.835 -4.749 -6.961 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.438 -3.044 -6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.590 -4.369 -7.576 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.075 -4.603 -5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.950 -5.976 -6.004 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.695 -4.207 -3.641 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.816 -5.950 -3.779 1.00 0.00 H new ATOM 652 N THR A 44 11.464 -2.333 -7.243 1.00 0.00 N ATOM 653 CA THR A 44 12.107 -1.029 -7.263 1.00 0.00 C ATOM 654 C THR A 44 11.055 0.059 -7.450 1.00 0.00 C ATOM 655 O THR A 44 9.940 -0.223 -7.890 1.00 0.00 O ATOM 656 CB THR A 44 13.114 -0.969 -8.415 1.00 0.00 C ATOM 657 OG1 THR A 44 12.493 -1.442 -9.603 1.00 0.00 O ATOM 658 CG2 THR A 44 14.322 -1.850 -8.088 1.00 0.00 C ATOM 0 H THR A 44 11.442 -2.813 -8.143 1.00 0.00 H new ATOM 0 HA THR A 44 12.627 -0.871 -6.318 1.00 0.00 H new ATOM 0 HB THR A 44 13.445 0.060 -8.556 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.133 -1.404 -10.344 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.037 -1.806 -8.909 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.796 -1.493 -7.174 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.994 -2.880 -7.948 1.00 0.00 H new ATOM 666 N GLU A 45 11.415 1.296 -7.112 1.00 0.00 N ATOM 667 CA GLU A 45 10.484 2.418 -7.248 1.00 0.00 C ATOM 668 C GLU A 45 9.690 2.278 -8.548 1.00 0.00 C ATOM 669 O GLU A 45 8.467 2.416 -8.563 1.00 0.00 O ATOM 670 CB GLU A 45 11.244 3.744 -7.253 1.00 0.00 C ATOM 671 CG GLU A 45 10.243 4.905 -7.220 1.00 0.00 C ATOM 672 CD GLU A 45 10.989 6.233 -7.161 1.00 0.00 C ATOM 673 OE1 GLU A 45 12.175 6.213 -6.874 1.00 0.00 O ATOM 674 OE2 GLU A 45 10.362 7.253 -7.402 1.00 0.00 O ATOM 0 H GLU A 45 12.333 1.547 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 45 9.799 2.407 -6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.909 3.798 -6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.870 3.814 -8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.608 4.874 -8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.588 4.807 -6.354 1.00 0.00 H new ATOM 681 N GLU A 46 10.403 2.007 -9.637 1.00 0.00 N ATOM 682 CA GLU A 46 9.769 1.852 -10.942 1.00 0.00 C ATOM 683 C GLU A 46 8.564 0.916 -10.848 1.00 0.00 C ATOM 684 O GLU A 46 7.443 1.300 -11.181 1.00 0.00 O ATOM 685 CB GLU A 46 10.783 1.281 -11.958 1.00 0.00 C ATOM 686 CG GLU A 46 12.210 1.629 -11.530 1.00 0.00 C ATOM 687 CD GLU A 46 13.190 1.278 -12.645 1.00 0.00 C ATOM 688 OE1 GLU A 46 12.752 0.721 -13.639 1.00 0.00 O ATOM 689 OE2 GLU A 46 14.364 1.570 -12.488 1.00 0.00 O ATOM 0 H GLU A 46 11.416 1.891 -9.642 1.00 0.00 H new ATOM 0 HA GLU A 46 9.430 2.833 -11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.670 0.199 -12.028 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.583 1.687 -12.950 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.279 2.691 -11.295 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.469 1.084 -10.622 1.00 0.00 H new ATOM 696 N GLU A 47 8.800 -0.316 -10.396 1.00 0.00 N ATOM 697 CA GLU A 47 7.717 -1.281 -10.278 1.00 0.00 C ATOM 698 C GLU A 47 6.657 -0.764 -9.313 1.00 0.00 C ATOM 699 O GLU A 47 5.461 -0.876 -9.575 1.00 0.00 O ATOM 700 CB GLU A 47 8.263 -2.628 -9.797 1.00 0.00 C ATOM 701 CG GLU A 47 9.153 -3.232 -10.887 1.00 0.00 C ATOM 702 CD GLU A 47 9.737 -4.559 -10.413 1.00 0.00 C ATOM 703 OE1 GLU A 47 10.169 -4.618 -9.274 1.00 0.00 O ATOM 704 OE2 GLU A 47 9.739 -5.497 -11.193 1.00 0.00 O ATOM 0 H GLU A 47 9.716 -0.661 -10.111 1.00 0.00 H new ATOM 0 HA GLU A 47 7.259 -1.419 -11.257 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.834 -2.495 -8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.441 -3.305 -9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.573 -3.386 -11.797 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.958 -2.540 -11.135 1.00 0.00 H new ATOM 711 N LEU A 48 7.098 -0.188 -8.202 1.00 0.00 N ATOM 712 CA LEU A 48 6.166 0.351 -7.222 1.00 0.00 C ATOM 713 C LEU A 48 5.341 1.472 -7.843 1.00 0.00 C ATOM 714 O LEU A 48 4.129 1.542 -7.654 1.00 0.00 O ATOM 715 CB LEU A 48 6.951 0.873 -6.009 1.00 0.00 C ATOM 716 CG LEU A 48 7.253 -0.278 -5.033 1.00 0.00 C ATOM 717 CD1 LEU A 48 8.435 0.095 -4.132 1.00 0.00 C ATOM 718 CD2 LEU A 48 6.026 -0.565 -4.155 1.00 0.00 C ATOM 0 H LEU A 48 8.083 -0.083 -7.959 1.00 0.00 H new ATOM 0 HA LEU A 48 5.485 -0.436 -6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.883 1.332 -6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.377 1.648 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 48 7.500 -1.167 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.642 -0.725 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.315 0.284 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.190 0.992 -3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.252 -1.381 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.770 0.328 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.184 -0.846 -4.787 1.00 0.00 H new ATOM 730 N GLN A 49 6.002 2.338 -8.591 1.00 0.00 N ATOM 731 CA GLN A 49 5.303 3.440 -9.234 1.00 0.00 C ATOM 732 C GLN A 49 4.318 2.898 -10.267 1.00 0.00 C ATOM 733 O GLN A 49 3.141 3.255 -10.255 1.00 0.00 O ATOM 734 CB GLN A 49 6.310 4.380 -9.901 1.00 0.00 C ATOM 735 CG GLN A 49 5.590 5.642 -10.381 1.00 0.00 C ATOM 736 CD GLN A 49 5.134 6.470 -9.183 1.00 0.00 C ATOM 737 OE1 GLN A 49 5.853 6.575 -8.190 1.00 0.00 O ATOM 738 NE2 GLN A 49 3.976 7.069 -9.219 1.00 0.00 N ATOM 0 H GLN A 49 7.006 2.303 -8.767 1.00 0.00 H new ATOM 0 HA GLN A 49 4.749 4.000 -8.481 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.099 4.644 -9.197 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.789 3.879 -10.743 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.255 6.233 -11.010 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.731 5.370 -10.994 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.382 6.981 -10.043 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.665 7.626 -8.423 1.00 0.00 H new ATOM 747 N ASP A 50 4.802 2.043 -11.164 1.00 0.00 N ATOM 748 CA ASP A 50 3.944 1.474 -12.196 1.00 0.00 C ATOM 749 C ASP A 50 2.813 0.662 -11.570 1.00 0.00 C ATOM 750 O ASP A 50 1.679 0.693 -12.048 1.00 0.00 O ATOM 751 CB ASP A 50 4.765 0.581 -13.129 1.00 0.00 C ATOM 752 CG ASP A 50 5.659 1.437 -14.023 1.00 0.00 C ATOM 753 OD1 ASP A 50 5.420 2.631 -14.099 1.00 0.00 O ATOM 754 OD2 ASP A 50 6.571 0.885 -14.617 1.00 0.00 O ATOM 0 H ASP A 50 5.773 1.732 -11.197 1.00 0.00 H new ATOM 0 HA ASP A 50 3.510 2.293 -12.770 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.375 -0.107 -12.543 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.099 -0.027 -13.742 1.00 0.00 H new ATOM 759 N MET A 51 3.121 -0.045 -10.488 1.00 0.00 N ATOM 760 CA MET A 51 2.101 -0.834 -9.804 1.00 0.00 C ATOM 761 C MET A 51 1.140 0.094 -9.067 1.00 0.00 C ATOM 762 O MET A 51 -0.076 -0.031 -9.194 1.00 0.00 O ATOM 763 CB MET A 51 2.752 -1.809 -8.816 1.00 0.00 C ATOM 764 CG MET A 51 3.355 -2.993 -9.580 1.00 0.00 C ATOM 765 SD MET A 51 2.024 -4.007 -10.289 1.00 0.00 S ATOM 766 CE MET A 51 2.598 -4.017 -12.007 1.00 0.00 C ATOM 0 H MET A 51 4.051 -0.089 -10.071 1.00 0.00 H new ATOM 0 HA MET A 51 1.546 -1.410 -10.544 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.528 -1.299 -8.245 1.00 0.00 H new ATOM 0 HB3 MET A 51 2.011 -2.165 -8.100 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.011 -2.631 -10.372 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.967 -3.596 -8.910 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.907 -4.597 -12.618 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.643 -2.994 -12.382 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.590 -4.465 -12.056 1.00 0.00 H new ATOM 776 N ILE A 52 1.693 1.038 -8.308 1.00 0.00 N ATOM 777 CA ILE A 52 0.859 1.988 -7.584 1.00 0.00 C ATOM 778 C ILE A 52 0.077 2.847 -8.567 1.00 0.00 C ATOM 779 O ILE A 52 -1.126 3.053 -8.404 1.00 0.00 O ATOM 780 CB ILE A 52 1.725 2.876 -6.678 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.270 2.036 -5.518 1.00 0.00 C ATOM 782 CG2 ILE A 52 0.882 4.025 -6.112 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.375 2.812 -4.802 1.00 0.00 C ATOM 0 H ILE A 52 2.697 1.163 -8.181 1.00 0.00 H new ATOM 0 HA ILE A 52 0.157 1.435 -6.960 1.00 0.00 H new ATOM 0 HB ILE A 52 2.549 3.286 -7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.468 1.797 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.660 1.089 -5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.503 4.650 -5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.488 4.625 -6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.055 3.617 -5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.763 2.215 -3.977 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.181 3.028 -5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.970 3.747 -4.414 1.00 0.00 H new ATOM 795 N SER A 53 0.762 3.327 -9.594 1.00 0.00 N ATOM 796 CA SER A 53 0.109 4.154 -10.600 1.00 0.00 C ATOM 797 C SER A 53 -1.032 3.373 -11.240 1.00 0.00 C ATOM 798 O SER A 53 -2.125 3.903 -11.437 1.00 0.00 O ATOM 799 CB SER A 53 1.114 4.582 -11.666 1.00 0.00 C ATOM 800 OG SER A 53 1.546 3.438 -12.388 1.00 0.00 O ATOM 0 H SER A 53 1.756 3.162 -9.753 1.00 0.00 H new ATOM 0 HA SER A 53 -0.291 5.048 -10.122 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.658 5.303 -12.344 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.967 5.077 -11.201 1.00 0.00 H new ATOM 0 HG SER A 53 1.922 3.717 -13.249 1.00 0.00 H new ATOM 806 N GLU A 54 -0.767 2.114 -11.576 1.00 0.00 N ATOM 807 CA GLU A 54 -1.778 1.275 -12.207 1.00 0.00 C ATOM 808 C GLU A 54 -3.126 1.417 -11.498 1.00 0.00 C ATOM 809 O GLU A 54 -4.175 1.225 -12.113 1.00 0.00 O ATOM 810 CB GLU A 54 -1.332 -0.193 -12.182 1.00 0.00 C ATOM 811 CG GLU A 54 -2.361 -1.055 -12.919 1.00 0.00 C ATOM 812 CD GLU A 54 -1.877 -2.499 -12.992 1.00 0.00 C ATOM 813 OE1 GLU A 54 -0.701 -2.721 -12.758 1.00 0.00 O ATOM 814 OE2 GLU A 54 -2.690 -3.361 -13.285 1.00 0.00 O ATOM 0 H GLU A 54 0.132 1.656 -11.423 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.895 1.601 -13.240 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.354 -0.295 -12.652 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.227 -0.534 -11.152 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.321 -1.010 -12.404 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.521 -0.665 -13.924 1.00 0.00 H new ATOM 821 N VAL A 55 -3.097 1.750 -10.202 1.00 0.00 N ATOM 822 CA VAL A 55 -4.334 1.907 -9.424 1.00 0.00 C ATOM 823 C VAL A 55 -4.521 3.341 -8.946 1.00 0.00 C ATOM 824 O VAL A 55 -5.653 3.796 -8.793 1.00 0.00 O ATOM 825 CB VAL A 55 -4.316 0.979 -8.212 1.00 0.00 C ATOM 826 CG1 VAL A 55 -3.050 1.224 -7.391 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.553 1.239 -7.344 1.00 0.00 C ATOM 0 H VAL A 55 -2.240 1.915 -9.673 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.164 1.649 -10.081 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.327 -0.056 -8.553 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.042 0.559 -6.527 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.173 1.028 -8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.031 2.260 -7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.537 0.575 -6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.549 2.275 -7.006 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.454 1.052 -7.929 1.00 0.00 H new ATOM 837 N ASP A 56 -3.425 4.051 -8.695 1.00 0.00 N ATOM 838 CA ASP A 56 -3.541 5.419 -8.226 1.00 0.00 C ATOM 839 C ASP A 56 -4.313 6.224 -9.264 1.00 0.00 C ATOM 840 O ASP A 56 -3.734 6.878 -10.130 1.00 0.00 O ATOM 841 CB ASP A 56 -2.141 6.027 -7.978 1.00 0.00 C ATOM 842 CG ASP A 56 -2.182 7.012 -6.809 1.00 0.00 C ATOM 843 OD1 ASP A 56 -2.693 8.099 -6.989 1.00 0.00 O ATOM 844 OD2 ASP A 56 -1.708 6.654 -5.744 1.00 0.00 O ATOM 0 H ASP A 56 -2.471 3.709 -8.806 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.078 5.443 -7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.426 5.232 -7.766 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.795 6.536 -8.878 1.00 0.00 H new ATOM 849 N ALA A 57 -5.630 6.149 -9.168 1.00 0.00 N ATOM 850 CA ALA A 57 -6.492 6.858 -10.105 1.00 0.00 C ATOM 851 C ALA A 57 -6.220 8.355 -10.044 1.00 0.00 C ATOM 852 O ALA A 57 -6.302 9.055 -11.054 1.00 0.00 O ATOM 853 CB ALA A 57 -7.964 6.596 -9.785 1.00 0.00 C ATOM 0 H ALA A 57 -6.125 5.610 -8.458 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.275 6.492 -11.109 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.592 7.134 -10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.167 5.528 -9.857 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.183 6.940 -8.774 1.00 0.00 H new ATOM 859 N ASP A 58 -5.913 8.843 -8.848 1.00 0.00 N ATOM 860 CA ASP A 58 -5.647 10.270 -8.652 1.00 0.00 C ATOM 861 C ASP A 58 -4.169 10.603 -8.849 1.00 0.00 C ATOM 862 O ASP A 58 -3.818 11.750 -9.127 1.00 0.00 O ATOM 863 CB ASP A 58 -6.081 10.680 -7.246 1.00 0.00 C ATOM 864 CG ASP A 58 -5.457 9.743 -6.219 1.00 0.00 C ATOM 865 OD1 ASP A 58 -4.979 8.694 -6.620 1.00 0.00 O ATOM 866 OD2 ASP A 58 -5.470 10.085 -5.049 1.00 0.00 O ATOM 0 H ASP A 58 -5.841 8.279 -8.001 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.216 10.824 -9.398 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.776 11.707 -7.047 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.168 10.649 -7.167 1.00 0.00 H new ATOM 871 N GLY A 59 -3.307 9.605 -8.701 1.00 0.00 N ATOM 872 CA GLY A 59 -1.871 9.821 -8.863 1.00 0.00 C ATOM 873 C GLY A 59 -1.347 10.825 -7.839 1.00 0.00 C ATOM 874 O GLY A 59 -0.875 11.899 -8.205 1.00 0.00 O ATOM 0 H GLY A 59 -3.571 8.647 -8.471 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.343 8.874 -8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.666 10.184 -9.870 1.00 0.00 H new ATOM 878 N ASN A 60 -1.435 10.479 -6.548 1.00 0.00 N ATOM 879 CA ASN A 60 -0.962 11.376 -5.484 1.00 0.00 C ATOM 880 C ASN A 60 0.324 10.860 -4.844 1.00 0.00 C ATOM 881 O ASN A 60 1.019 11.608 -4.157 1.00 0.00 O ATOM 882 CB ASN A 60 -2.032 11.513 -4.401 1.00 0.00 C ATOM 883 CG ASN A 60 -2.320 10.152 -3.781 1.00 0.00 C ATOM 884 OD1 ASN A 60 -1.631 9.177 -4.077 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.302 10.029 -2.929 1.00 0.00 N ATOM 0 H ASN A 60 -1.824 9.596 -6.217 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.760 12.345 -5.940 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.696 12.209 -3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.945 11.927 -4.830 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.500 9.122 -2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.871 10.840 -2.686 1.00 0.00 H new ATOM 892 N GLY A 61 0.641 9.583 -5.055 1.00 0.00 N ATOM 893 CA GLY A 61 1.851 8.996 -4.471 1.00 0.00 C ATOM 894 C GLY A 61 1.519 8.228 -3.191 1.00 0.00 C ATOM 895 O GLY A 61 2.401 7.900 -2.403 1.00 0.00 O ATOM 0 H GLY A 61 0.085 8.940 -5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.320 8.326 -5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.573 9.783 -4.252 1.00 0.00 H new ATOM 899 N THR A 62 0.235 7.944 -3.003 1.00 0.00 N ATOM 900 CA THR A 62 -0.237 7.207 -1.829 1.00 0.00 C ATOM 901 C THR A 62 -1.351 6.244 -2.232 1.00 0.00 C ATOM 902 O THR A 62 -1.919 6.363 -3.319 1.00 0.00 O ATOM 903 CB THR A 62 -0.760 8.180 -0.769 1.00 0.00 C ATOM 904 OG1 THR A 62 -1.911 8.844 -1.267 1.00 0.00 O ATOM 905 CG2 THR A 62 0.322 9.207 -0.432 1.00 0.00 C ATOM 0 H THR A 62 -0.505 8.214 -3.652 1.00 0.00 H new ATOM 0 HA THR A 62 0.597 6.641 -1.413 1.00 0.00 H new ATOM 0 HB THR A 62 -1.021 7.627 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.971 9.738 -0.869 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.054 9.898 0.323 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.203 8.694 -0.047 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.589 9.762 -1.331 1.00 0.00 H new ATOM 913 N ILE A 63 -1.672 5.303 -1.346 1.00 0.00 N ATOM 914 CA ILE A 63 -2.736 4.326 -1.606 1.00 0.00 C ATOM 915 C ILE A 63 -3.825 4.465 -0.548 1.00 0.00 C ATOM 916 O ILE A 63 -3.547 4.410 0.651 1.00 0.00 O ATOM 917 CB ILE A 63 -2.172 2.900 -1.575 1.00 0.00 C ATOM 918 CG1 ILE A 63 -0.879 2.832 -2.395 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.193 1.932 -2.177 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.248 1.447 -2.239 1.00 0.00 C ATOM 0 H ILE A 63 -1.213 5.194 -0.442 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.155 4.518 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.964 2.624 -0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.091 3.030 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.182 3.601 -2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.791 0.919 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.115 1.969 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.401 2.217 -3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.672 1.398 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.021 1.267 -1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.944 0.688 -2.595 1.00 0.00 H new ATOM 932 N GLU A 64 -5.067 4.644 -0.994 1.00 0.00 N ATOM 933 CA GLU A 64 -6.198 4.790 -0.072 1.00 0.00 C ATOM 934 C GLU A 64 -6.957 3.474 0.044 1.00 0.00 C ATOM 935 O GLU A 64 -6.653 2.507 -0.655 1.00 0.00 O ATOM 936 CB GLU A 64 -7.136 5.895 -0.567 1.00 0.00 C ATOM 937 CG GLU A 64 -6.419 7.246 -0.496 1.00 0.00 C ATOM 938 CD GLU A 64 -6.132 7.620 0.954 1.00 0.00 C ATOM 939 OE1 GLU A 64 -6.796 7.084 1.826 1.00 0.00 O ATOM 940 OE2 GLU A 64 -5.252 8.437 1.174 1.00 0.00 O ATOM 0 H GLU A 64 -5.318 4.692 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.817 5.062 0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.447 5.690 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.040 5.919 0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.486 7.200 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.034 8.016 -0.962 1.00 0.00 H new ATOM 947 N PHE A 65 -7.934 3.436 0.942 1.00 0.00 N ATOM 948 CA PHE A 65 -8.707 2.213 1.145 1.00 0.00 C ATOM 949 C PHE A 65 -9.303 1.724 -0.173 1.00 0.00 C ATOM 950 O PHE A 65 -9.158 0.554 -0.527 1.00 0.00 O ATOM 951 CB PHE A 65 -9.831 2.456 2.166 1.00 0.00 C ATOM 952 CG PHE A 65 -10.834 1.314 2.127 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.502 0.067 2.669 1.00 0.00 C ATOM 954 CD2 PHE A 65 -12.088 1.508 1.532 1.00 0.00 C ATOM 955 CE1 PHE A 65 -11.429 -0.985 2.621 1.00 0.00 C ATOM 956 CE2 PHE A 65 -13.012 0.457 1.484 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.686 -0.790 2.027 1.00 0.00 C ATOM 0 H PHE A 65 -8.208 4.221 1.532 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.034 1.446 1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.409 2.545 3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.333 3.398 1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.534 -0.085 3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.342 2.469 1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.175 -1.947 3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.978 0.610 1.027 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.399 -1.600 1.989 1.00 0.00 H new ATOM 967 N ASP A 66 -9.978 2.610 -0.893 1.00 0.00 N ATOM 968 CA ASP A 66 -10.584 2.225 -2.159 1.00 0.00 C ATOM 969 C ASP A 66 -9.514 1.775 -3.142 1.00 0.00 C ATOM 970 O ASP A 66 -9.687 0.785 -3.854 1.00 0.00 O ATOM 971 CB ASP A 66 -11.361 3.404 -2.751 1.00 0.00 C ATOM 972 CG ASP A 66 -12.640 3.638 -1.955 1.00 0.00 C ATOM 973 OD1 ASP A 66 -12.986 2.782 -1.158 1.00 0.00 O ATOM 974 OD2 ASP A 66 -13.254 4.674 -2.151 1.00 0.00 O ATOM 0 H ASP A 66 -10.118 3.585 -0.627 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.270 1.398 -1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.743 4.302 -2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.604 3.203 -3.794 1.00 0.00 H new ATOM 979 N GLU A 67 -8.406 2.502 -3.174 1.00 0.00 N ATOM 980 CA GLU A 67 -7.315 2.159 -4.073 1.00 0.00 C ATOM 981 C GLU A 67 -6.682 0.835 -3.659 1.00 0.00 C ATOM 982 O GLU A 67 -6.448 -0.039 -4.491 1.00 0.00 O ATOM 983 CB GLU A 67 -6.256 3.261 -4.045 1.00 0.00 C ATOM 984 CG GLU A 67 -6.827 4.534 -4.675 1.00 0.00 C ATOM 985 CD GLU A 67 -5.787 5.647 -4.621 1.00 0.00 C ATOM 986 OE1 GLU A 67 -4.690 5.379 -4.161 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.101 6.748 -5.044 1.00 0.00 O ATOM 0 H GLU A 67 -8.240 3.325 -2.594 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.713 2.061 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.947 3.458 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.368 2.940 -4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.114 4.342 -5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.729 4.840 -4.145 1.00 0.00 H new ATOM 994 N PHE A 68 -6.421 0.689 -2.364 1.00 0.00 N ATOM 995 CA PHE A 68 -5.823 -0.536 -1.850 1.00 0.00 C ATOM 996 C PHE A 68 -6.736 -1.729 -2.099 1.00 0.00 C ATOM 997 O PHE A 68 -6.284 -2.785 -2.543 1.00 0.00 O ATOM 998 CB PHE A 68 -5.554 -0.404 -0.350 1.00 0.00 C ATOM 999 CG PHE A 68 -4.956 -1.692 0.168 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -3.617 -1.998 -0.099 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -5.741 -2.579 0.914 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.062 -3.190 0.382 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.186 -3.772 1.396 1.00 0.00 C ATOM 1004 CZ PHE A 68 -3.846 -4.076 1.131 1.00 0.00 C ATOM 0 H PHE A 68 -6.613 1.398 -1.657 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.881 -0.698 -2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.874 0.427 -0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.481 -0.182 0.179 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.012 -1.315 -0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.775 -2.344 1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.029 -3.426 0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.792 -4.456 1.971 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.417 -4.994 1.504 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.020 -1.560 -1.813 1.00 0.00 N ATOM 1015 CA LEU A 69 -8.982 -2.633 -2.012 1.00 0.00 C ATOM 1016 C LEU A 69 -9.094 -2.984 -3.489 1.00 0.00 C ATOM 1017 O LEU A 69 -9.147 -4.158 -3.855 1.00 0.00 O ATOM 1018 CB LEU A 69 -10.351 -2.210 -1.461 1.00 0.00 C ATOM 1019 CG LEU A 69 -11.361 -3.394 -1.529 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -12.292 -3.358 -0.309 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -12.217 -3.304 -2.808 1.00 0.00 C ATOM 0 H LEU A 69 -8.417 -0.695 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.638 -3.517 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.245 -1.874 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.734 -1.365 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.794 -4.325 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.995 -4.189 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.701 -3.442 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.842 -2.417 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.916 -4.140 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.772 -2.366 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.569 -3.343 -3.683 1.00 0.00 H new ATOM 1033 N SER A 70 -9.111 -1.960 -4.338 1.00 0.00 N ATOM 1034 CA SER A 70 -9.200 -2.184 -5.774 1.00 0.00 C ATOM 1035 C SER A 70 -7.971 -2.935 -6.275 1.00 0.00 C ATOM 1036 O SER A 70 -8.092 -3.896 -7.026 1.00 0.00 O ATOM 1037 CB SER A 70 -9.319 -0.850 -6.512 1.00 0.00 C ATOM 1038 OG SER A 70 -9.036 -1.049 -7.891 1.00 0.00 O ATOM 0 H SER A 70 -9.065 -0.980 -4.060 1.00 0.00 H new ATOM 0 HA SER A 70 -10.088 -2.785 -5.971 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.322 -0.442 -6.390 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.626 -0.124 -6.088 1.00 0.00 H new ATOM 0 HG SER A 70 -9.113 -0.196 -8.367 1.00 0.00 H new ATOM 1044 N LEU A 71 -6.793 -2.490 -5.855 1.00 0.00 N ATOM 1045 CA LEU A 71 -5.551 -3.125 -6.286 1.00 0.00 C ATOM 1046 C LEU A 71 -5.515 -4.591 -5.859 1.00 0.00 C ATOM 1047 O LEU A 71 -5.097 -5.461 -6.627 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.350 -2.390 -5.672 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.026 -3.021 -6.138 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -2.944 -3.022 -7.675 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -1.854 -2.206 -5.572 1.00 0.00 C ATOM 0 H LEU A 71 -6.670 -1.699 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.500 -3.073 -7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.377 -1.338 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.413 -2.427 -4.584 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.978 -4.049 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.002 -3.471 -7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.775 -3.598 -8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.997 -1.997 -8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.912 -2.648 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.917 -1.179 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.899 -2.212 -4.483 1.00 0.00 H new ATOM 1063 N MET A 72 -5.971 -4.863 -4.643 1.00 0.00 N ATOM 1064 CA MET A 72 -5.991 -6.239 -4.150 1.00 0.00 C ATOM 1065 C MET A 72 -7.036 -7.052 -4.911 1.00 0.00 C ATOM 1066 O MET A 72 -6.737 -8.123 -5.439 1.00 0.00 O ATOM 1067 CB MET A 72 -6.301 -6.249 -2.642 1.00 0.00 C ATOM 1068 CG MET A 72 -5.823 -7.564 -2.015 1.00 0.00 C ATOM 1069 SD MET A 72 -6.006 -7.471 -0.215 1.00 0.00 S ATOM 1070 CE MET A 72 -6.149 -9.247 0.099 1.00 0.00 C ATOM 0 H MET A 72 -6.326 -4.166 -3.989 1.00 0.00 H new ATOM 0 HA MET A 72 -5.012 -6.691 -4.312 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.810 -5.406 -2.156 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.373 -6.129 -2.482 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.402 -8.399 -2.408 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.781 -7.747 -2.277 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.272 -9.419 1.168 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.014 -9.642 -0.434 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.247 -9.752 -0.248 1.00 0.00 H new ATOM 1080 N ALA A 73 -8.259 -6.530 -4.982 1.00 0.00 N ATOM 1081 CA ALA A 73 -9.326 -7.214 -5.698 1.00 0.00 C ATOM 1082 C ALA A 73 -9.028 -7.249 -7.198 1.00 0.00 C ATOM 1083 O ALA A 73 -9.437 -8.175 -7.897 1.00 0.00 O ATOM 1084 CB ALA A 73 -10.664 -6.518 -5.447 1.00 0.00 C ATOM 0 H ALA A 73 -8.531 -5.644 -4.556 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.386 -8.238 -5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.453 -7.040 -5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.886 -6.531 -4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.608 -5.486 -5.793 1.00 0.00 H new