USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=11 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= -6.58! C(o=-9.4!,f=-17!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -2.87! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.129) USER MOD Single : A 26 CYS SG : rot 10:sc= 0.0256 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 78:sc= 0.0791 USER MOD Single : A 41 GLN : amide:sc= -0.0332 K(o=-0.033,f=-1.7!) USER MOD Single : A 42 ASN : amide:sc= 0.216 K(o=0.22,f=-0.35) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.025 USER MOD Single : A 49 GLN : amide:sc= -0.0561 X(o=-0.056,f=-0.23) USER MOD Single : A 51 MET CE :methyl 155:sc= -0.157 (180deg=-1.65) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 73:sc= 0.298 USER MOD Single : A 72 MET CE :methyl -175:sc= 0 (180deg=-0.0182) USER MOD ----------------------------------------------------------------- ATOM 121 N ILE A 9 -15.281 -6.955 3.149 1.00 0.00 N ATOM 122 CA ILE A 9 -14.952 -5.568 3.461 1.00 0.00 C ATOM 123 C ILE A 9 -14.020 -5.504 4.661 1.00 0.00 C ATOM 124 O ILE A 9 -13.032 -4.771 4.647 1.00 0.00 O ATOM 125 CB ILE A 9 -16.230 -4.773 3.751 1.00 0.00 C ATOM 126 CG1 ILE A 9 -17.232 -4.987 2.608 1.00 0.00 C ATOM 127 CG2 ILE A 9 -15.887 -3.282 3.856 1.00 0.00 C ATOM 128 CD1 ILE A 9 -16.582 -4.671 1.254 1.00 0.00 C ATOM 0 HA ILE A 9 -14.449 -5.129 2.600 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.669 -5.114 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -17.586 -6.018 2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -18.103 -4.349 2.757 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.794 -2.714 4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.171 -3.129 4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.451 -2.942 2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.308 -4.829 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.251 -3.633 1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.725 -5.327 1.100 1.00 0.00 H new ATOM 140 N VAL A 10 -14.319 -6.291 5.685 1.00 0.00 N ATOM 141 CA VAL A 10 -13.478 -6.316 6.873 1.00 0.00 C ATOM 142 C VAL A 10 -12.092 -6.850 6.523 1.00 0.00 C ATOM 143 O VAL A 10 -11.081 -6.324 6.990 1.00 0.00 O ATOM 144 CB VAL A 10 -14.115 -7.175 7.971 1.00 0.00 C ATOM 145 CG1 VAL A 10 -13.137 -7.326 9.144 1.00 0.00 C ATOM 146 CG2 VAL A 10 -15.395 -6.493 8.466 1.00 0.00 C ATOM 0 H VAL A 10 -15.127 -6.913 5.718 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.381 -5.297 7.248 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.351 -8.160 7.568 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.594 -7.937 9.922 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.222 -7.806 8.796 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.899 -6.342 9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.852 -7.100 9.247 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.151 -5.509 8.867 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.093 -6.384 7.636 1.00 0.00 H new ATOM 156 N ASP A 11 -12.042 -7.903 5.710 1.00 0.00 N ATOM 157 CA ASP A 11 -10.760 -8.485 5.334 1.00 0.00 C ATOM 158 C ASP A 11 -9.865 -7.414 4.717 1.00 0.00 C ATOM 159 O ASP A 11 -8.710 -7.258 5.111 1.00 0.00 O ATOM 160 CB ASP A 11 -10.972 -9.618 4.329 1.00 0.00 C ATOM 161 CG ASP A 11 -11.623 -10.813 5.017 1.00 0.00 C ATOM 162 OD1 ASP A 11 -11.667 -10.816 6.237 1.00 0.00 O ATOM 163 OD2 ASP A 11 -12.067 -11.706 4.315 1.00 0.00 O ATOM 0 H ASP A 11 -12.859 -8.362 5.307 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.280 -8.885 6.227 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.601 -9.274 3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.017 -9.914 3.896 1.00 0.00 H new ATOM 168 N PHE A 12 -10.405 -6.674 3.753 1.00 0.00 N ATOM 169 CA PHE A 12 -9.635 -5.619 3.110 1.00 0.00 C ATOM 170 C PHE A 12 -9.247 -4.552 4.123 1.00 0.00 C ATOM 171 O PHE A 12 -8.094 -4.122 4.170 1.00 0.00 O ATOM 172 CB PHE A 12 -10.443 -4.982 1.970 1.00 0.00 C ATOM 173 CG PHE A 12 -10.610 -5.977 0.838 1.00 0.00 C ATOM 174 CD1 PHE A 12 -9.482 -6.505 0.191 1.00 0.00 C ATOM 175 CD2 PHE A 12 -11.893 -6.378 0.435 1.00 0.00 C ATOM 176 CE1 PHE A 12 -9.639 -7.424 -0.848 1.00 0.00 C ATOM 177 CE2 PHE A 12 -12.043 -7.301 -0.609 1.00 0.00 C ATOM 178 CZ PHE A 12 -10.912 -7.823 -1.249 1.00 0.00 C ATOM 0 H PHE A 12 -11.358 -6.784 3.405 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.729 -6.062 2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.420 -4.667 2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.935 -4.088 1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.492 -6.200 0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.765 -5.975 0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.769 -7.828 -1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.030 -7.610 -0.920 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.027 -8.535 -2.053 1.00 0.00 H new ATOM 188 N LYS A 13 -10.212 -4.117 4.925 1.00 0.00 N ATOM 189 CA LYS A 13 -9.948 -3.090 5.922 1.00 0.00 C ATOM 190 C LYS A 13 -8.881 -3.581 6.901 1.00 0.00 C ATOM 191 O LYS A 13 -8.011 -2.822 7.323 1.00 0.00 O ATOM 192 CB LYS A 13 -11.252 -2.753 6.672 1.00 0.00 C ATOM 193 CG LYS A 13 -11.256 -1.286 7.126 1.00 0.00 C ATOM 194 CD LYS A 13 -10.029 -0.993 7.992 1.00 0.00 C ATOM 195 CE LYS A 13 -10.247 0.306 8.771 1.00 0.00 C ATOM 196 NZ LYS A 13 -9.088 0.540 9.677 1.00 0.00 N ATOM 0 H LYS A 13 -11.174 -4.456 4.905 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.581 -2.189 5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.108 -2.940 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.358 -3.407 7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.260 -0.629 6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.165 -1.075 7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.854 -1.818 8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.141 -0.908 7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.358 1.142 8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.169 0.246 9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.235 1.423 10.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.002 -0.254 10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.217 0.615 9.114 1.00 0.00 H new ATOM 210 N GLU A 14 -8.932 -4.859 7.249 1.00 0.00 N ATOM 211 CA GLU A 14 -7.945 -5.409 8.165 1.00 0.00 C ATOM 212 C GLU A 14 -6.566 -5.375 7.536 1.00 0.00 C ATOM 213 O GLU A 14 -5.577 -5.092 8.200 1.00 0.00 O ATOM 214 CB GLU A 14 -8.293 -6.846 8.515 1.00 0.00 C ATOM 215 CG GLU A 14 -7.312 -7.388 9.563 1.00 0.00 C ATOM 216 CD GLU A 14 -7.672 -8.829 9.918 1.00 0.00 C ATOM 217 OE1 GLU A 14 -8.773 -9.242 9.593 1.00 0.00 O ATOM 218 OE2 GLU A 14 -6.840 -9.499 10.509 1.00 0.00 O ATOM 0 H GLU A 14 -9.632 -5.523 6.918 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.947 -4.803 9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.312 -6.898 8.899 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.258 -7.465 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.293 -7.343 9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.342 -6.766 10.458 1.00 0.00 H new ATOM 225 N ALA A 15 -6.517 -5.644 6.246 1.00 0.00 N ATOM 226 CA ALA A 15 -5.243 -5.615 5.529 1.00 0.00 C ATOM 227 C ALA A 15 -4.779 -4.179 5.305 1.00 0.00 C ATOM 228 O ALA A 15 -3.577 -3.901 5.299 1.00 0.00 O ATOM 229 CB ALA A 15 -5.358 -6.333 4.178 1.00 0.00 C ATOM 0 H ALA A 15 -7.327 -5.882 5.674 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.508 -6.134 6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.397 -6.298 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.644 -7.372 4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.114 -5.840 3.567 1.00 0.00 H new ATOM 235 N PHE A 16 -5.729 -3.257 5.139 1.00 0.00 N ATOM 236 CA PHE A 16 -5.389 -1.858 4.932 1.00 0.00 C ATOM 237 C PHE A 16 -4.807 -1.250 6.204 1.00 0.00 C ATOM 238 O PHE A 16 -3.784 -0.569 6.163 1.00 0.00 O ATOM 239 CB PHE A 16 -6.643 -1.083 4.524 1.00 0.00 C ATOM 240 CG PHE A 16 -6.260 0.328 4.148 1.00 0.00 C ATOM 241 CD1 PHE A 16 -5.503 0.557 2.993 1.00 0.00 C ATOM 242 CD2 PHE A 16 -6.656 1.405 4.950 1.00 0.00 C ATOM 243 CE1 PHE A 16 -5.146 1.864 2.639 1.00 0.00 C ATOM 244 CE2 PHE A 16 -6.299 2.709 4.594 1.00 0.00 C ATOM 245 CZ PHE A 16 -5.545 2.936 3.436 1.00 0.00 C ATOM 0 H PHE A 16 -6.729 -3.456 5.144 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.641 -1.795 4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -7.131 -1.576 3.683 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.360 -1.071 5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.195 -0.274 2.375 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.237 1.229 5.843 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.561 2.042 1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -6.604 3.541 5.212 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.272 3.944 3.160 1.00 0.00 H new ATOM 255 N GLY A 17 -5.461 -1.498 7.335 1.00 0.00 N ATOM 256 CA GLY A 17 -4.984 -0.964 8.601 1.00 0.00 C ATOM 257 C GLY A 17 -3.637 -1.569 8.947 1.00 0.00 C ATOM 258 O GLY A 17 -2.756 -0.885 9.470 1.00 0.00 O ATOM 0 H GLY A 17 -6.311 -2.058 7.399 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.899 0.121 8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.703 -1.182 9.391 1.00 0.00 H new ATOM 262 N LEU A 18 -3.472 -2.858 8.657 1.00 0.00 N ATOM 263 CA LEU A 18 -2.220 -3.529 8.945 1.00 0.00 C ATOM 264 C LEU A 18 -1.097 -2.894 8.126 1.00 0.00 C ATOM 265 O LEU A 18 0.024 -2.743 8.600 1.00 0.00 O ATOM 266 CB LEU A 18 -2.358 -5.032 8.610 1.00 0.00 C ATOM 267 CG LEU A 18 -1.452 -5.884 9.518 1.00 0.00 C ATOM 268 CD1 LEU A 18 -0.010 -5.375 9.436 1.00 0.00 C ATOM 269 CD2 LEU A 18 -1.960 -5.813 10.981 1.00 0.00 C ATOM 0 H LEU A 18 -4.185 -3.448 8.228 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.977 -3.425 10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.396 -5.342 8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.095 -5.201 7.566 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.480 -6.921 9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.627 -5.981 10.080 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.343 -5.445 8.407 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.028 -4.336 9.762 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.316 -6.417 11.620 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.942 -4.778 11.323 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.980 -6.194 11.031 1.00 0.00 H new ATOM 281 N PHE A 19 -1.407 -2.542 6.888 1.00 0.00 N ATOM 282 CA PHE A 19 -0.411 -1.938 6.009 1.00 0.00 C ATOM 283 C PHE A 19 -0.112 -0.524 6.437 1.00 0.00 C ATOM 284 O PHE A 19 1.031 -0.067 6.401 1.00 0.00 O ATOM 285 CB PHE A 19 -0.915 -1.965 4.562 1.00 0.00 C ATOM 286 CG PHE A 19 -0.950 -3.394 4.025 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.828 -4.517 4.879 1.00 0.00 C ATOM 288 CD2 PHE A 19 -1.098 -3.601 2.643 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.857 -5.804 4.356 1.00 0.00 C ATOM 290 CE2 PHE A 19 -1.122 -4.906 2.126 1.00 0.00 C ATOM 291 CZ PHE A 19 -1.001 -6.003 2.986 1.00 0.00 C ATOM 0 H PHE A 19 -2.330 -2.661 6.470 1.00 0.00 H new ATOM 0 HA PHE A 19 0.512 -2.513 6.075 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.913 -1.529 4.512 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.267 -1.352 3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.712 -4.372 5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.193 -2.755 1.978 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.767 -6.654 5.016 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.234 -5.063 1.063 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.019 -7.006 2.586 1.00 0.00 H new ATOM 301 N ASP A 20 -1.153 0.165 6.840 1.00 0.00 N ATOM 302 CA ASP A 20 -1.020 1.540 7.277 1.00 0.00 C ATOM 303 C ASP A 20 -0.685 1.597 8.763 1.00 0.00 C ATOM 304 O ASP A 20 -1.354 2.276 9.537 1.00 0.00 O ATOM 305 CB ASP A 20 -2.322 2.270 6.984 1.00 0.00 C ATOM 306 CG ASP A 20 -2.285 3.678 7.567 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.206 4.118 7.931 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.335 4.295 7.635 1.00 0.00 O ATOM 0 H ASP A 20 -2.104 -0.202 6.875 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.205 2.023 6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.484 2.320 5.907 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.160 1.716 7.407 1.00 0.00 H new ATOM 313 N LYS A 21 0.332 0.832 9.156 1.00 0.00 N ATOM 314 CA LYS A 21 0.737 0.754 10.561 1.00 0.00 C ATOM 315 C LYS A 21 0.571 2.104 11.268 1.00 0.00 C ATOM 316 O LYS A 21 0.363 2.147 12.480 1.00 0.00 O ATOM 317 CB LYS A 21 2.213 0.320 10.655 1.00 0.00 C ATOM 318 CG LYS A 21 2.328 -1.201 10.488 1.00 0.00 C ATOM 319 CD LYS A 21 1.925 -1.922 11.811 1.00 0.00 C ATOM 320 CE LYS A 21 3.166 -2.527 12.470 1.00 0.00 C ATOM 321 NZ LYS A 21 4.114 -1.429 12.821 1.00 0.00 N ATOM 0 H LYS A 21 0.890 0.258 8.524 1.00 0.00 H new ATOM 0 HA LYS A 21 0.095 0.022 11.051 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.798 0.823 9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.628 0.620 11.617 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.685 -1.534 9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.349 -1.468 10.217 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.449 -1.215 12.491 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.195 -2.704 11.602 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.884 -3.082 13.365 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.644 -3.235 11.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.849 -1.796 13.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.558 -1.063 11.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.596 -0.662 13.295 1.00 0.00 H new ATOM 335 N ASP A 22 0.684 3.201 10.521 1.00 0.00 N ATOM 336 CA ASP A 22 0.560 4.529 11.117 1.00 0.00 C ATOM 337 C ASP A 22 -0.890 4.840 11.497 1.00 0.00 C ATOM 338 O ASP A 22 -1.145 5.603 12.427 1.00 0.00 O ATOM 339 CB ASP A 22 1.054 5.574 10.118 1.00 0.00 C ATOM 340 CG ASP A 22 2.320 5.071 9.432 1.00 0.00 C ATOM 341 OD1 ASP A 22 3.355 5.059 10.077 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.231 4.702 8.272 1.00 0.00 O ATOM 0 H ASP A 22 0.859 3.198 9.516 1.00 0.00 H new ATOM 0 HA ASP A 22 1.162 4.553 12.026 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.282 5.775 9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.256 6.515 10.631 1.00 0.00 H new ATOM 347 N GLY A 23 -1.836 4.239 10.779 1.00 0.00 N ATOM 348 CA GLY A 23 -3.250 4.457 11.061 1.00 0.00 C ATOM 349 C GLY A 23 -3.740 5.789 10.496 1.00 0.00 C ATOM 350 O GLY A 23 -4.842 6.235 10.818 1.00 0.00 O ATOM 0 H GLY A 23 -1.650 3.602 10.004 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.836 3.643 10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.414 4.436 12.138 1.00 0.00 H new ATOM 354 N ASP A 24 -2.923 6.428 9.663 1.00 0.00 N ATOM 355 CA ASP A 24 -3.311 7.715 9.093 1.00 0.00 C ATOM 356 C ASP A 24 -4.439 7.542 8.082 1.00 0.00 C ATOM 357 O ASP A 24 -5.027 8.521 7.621 1.00 0.00 O ATOM 358 CB ASP A 24 -2.110 8.380 8.413 1.00 0.00 C ATOM 359 CG ASP A 24 -1.775 7.660 7.112 1.00 0.00 C ATOM 360 OD1 ASP A 24 -2.124 6.497 6.996 1.00 0.00 O ATOM 361 OD2 ASP A 24 -1.169 8.278 6.253 1.00 0.00 O ATOM 0 H ASP A 24 -2.007 6.085 9.372 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.662 8.351 9.906 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.332 9.428 8.210 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.248 8.360 9.080 1.00 0.00 H new ATOM 366 N GLY A 25 -4.734 6.294 7.737 1.00 0.00 N ATOM 367 CA GLY A 25 -5.794 6.006 6.775 1.00 0.00 C ATOM 368 C GLY A 25 -5.261 6.008 5.349 1.00 0.00 C ATOM 369 O GLY A 25 -6.005 5.754 4.404 1.00 0.00 O ATOM 0 H GLY A 25 -4.259 5.470 8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.237 5.036 6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.587 6.748 6.871 1.00 0.00 H new ATOM 373 N CYS A 26 -3.971 6.312 5.191 1.00 0.00 N ATOM 374 CA CYS A 26 -3.347 6.353 3.864 1.00 0.00 C ATOM 375 C CYS A 26 -2.018 5.605 3.863 1.00 0.00 C ATOM 376 O CYS A 26 -1.214 5.755 4.780 1.00 0.00 O ATOM 377 CB CYS A 26 -3.108 7.811 3.455 1.00 0.00 C ATOM 378 SG CYS A 26 -4.689 8.586 3.034 1.00 0.00 S ATOM 0 H CYS A 26 -3.339 6.533 5.961 1.00 0.00 H new ATOM 0 HA CYS A 26 -4.018 5.871 3.154 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.630 8.355 4.270 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -2.431 7.854 2.602 1.00 0.00 H new ATOM 0 HG CYS A 26 -5.664 7.796 3.375 1.00 0.00 H new ATOM 384 N ILE A 27 -1.779 4.813 2.815 1.00 0.00 N ATOM 385 CA ILE A 27 -0.524 4.064 2.693 1.00 0.00 C ATOM 386 C ILE A 27 0.384 4.756 1.682 1.00 0.00 C ATOM 387 O ILE A 27 0.061 4.818 0.497 1.00 0.00 O ATOM 388 CB ILE A 27 -0.795 2.635 2.198 1.00 0.00 C ATOM 389 CG1 ILE A 27 -1.697 1.882 3.179 1.00 0.00 C ATOM 390 CG2 ILE A 27 0.530 1.881 2.067 1.00 0.00 C ATOM 391 CD1 ILE A 27 -2.175 0.584 2.525 1.00 0.00 C ATOM 0 H ILE A 27 -2.432 4.674 2.044 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.049 4.027 3.673 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.294 2.695 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.153 1.662 4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.551 2.501 3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.338 0.867 1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.173 2.397 1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.024 1.841 3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.818 0.042 3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.734 0.818 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.314 -0.034 2.271 1.00 0.00 H new ATOM 403 N THR A 28 1.526 5.264 2.138 1.00 0.00 N ATOM 404 CA THR A 28 2.456 5.929 1.227 1.00 0.00 C ATOM 405 C THR A 28 3.305 4.884 0.513 1.00 0.00 C ATOM 406 O THR A 28 3.373 3.736 0.946 1.00 0.00 O ATOM 407 CB THR A 28 3.364 6.894 1.997 1.00 0.00 C ATOM 408 OG1 THR A 28 2.566 7.813 2.729 1.00 0.00 O ATOM 409 CG2 THR A 28 4.252 7.662 1.012 1.00 0.00 C ATOM 0 H THR A 28 1.827 5.230 3.112 1.00 0.00 H new ATOM 0 HA THR A 28 1.884 6.498 0.495 1.00 0.00 H new ATOM 0 HB THR A 28 3.992 6.328 2.685 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.146 8.429 3.223 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.897 8.348 1.562 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.866 6.958 0.450 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.626 8.228 0.322 1.00 0.00 H new ATOM 417 N VAL A 29 3.946 5.271 -0.585 1.00 0.00 N ATOM 418 CA VAL A 29 4.768 4.323 -1.331 1.00 0.00 C ATOM 419 C VAL A 29 5.872 3.760 -0.439 1.00 0.00 C ATOM 420 O VAL A 29 6.243 2.594 -0.562 1.00 0.00 O ATOM 421 CB VAL A 29 5.386 5.001 -2.559 1.00 0.00 C ATOM 422 CG1 VAL A 29 6.263 6.173 -2.117 1.00 0.00 C ATOM 423 CG2 VAL A 29 6.241 3.983 -3.329 1.00 0.00 C ATOM 0 H VAL A 29 3.915 6.214 -0.973 1.00 0.00 H new ATOM 0 HA VAL A 29 4.130 3.504 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 29 4.590 5.372 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.700 6.651 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.656 6.897 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.059 5.807 -1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.681 4.464 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.035 3.611 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.615 3.151 -3.650 1.00 0.00 H new ATOM 433 N GLU A 30 6.381 4.584 0.472 1.00 0.00 N ATOM 434 CA GLU A 30 7.424 4.137 1.378 1.00 0.00 C ATOM 435 C GLU A 30 6.875 3.064 2.318 1.00 0.00 C ATOM 436 O GLU A 30 7.549 2.071 2.617 1.00 0.00 O ATOM 437 CB GLU A 30 7.948 5.321 2.191 1.00 0.00 C ATOM 438 CG GLU A 30 8.718 6.272 1.274 1.00 0.00 C ATOM 439 CD GLU A 30 9.195 7.489 2.061 1.00 0.00 C ATOM 440 OE1 GLU A 30 8.993 7.507 3.263 1.00 0.00 O ATOM 441 OE2 GLU A 30 9.760 8.381 1.450 1.00 0.00 O ATOM 0 H GLU A 30 6.090 5.553 0.599 1.00 0.00 H new ATOM 0 HA GLU A 30 8.242 3.713 0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.118 5.847 2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.597 4.967 2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.572 5.755 0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.080 6.590 0.449 1.00 0.00 H new ATOM 448 N GLU A 31 5.637 3.255 2.760 1.00 0.00 N ATOM 449 CA GLU A 31 4.998 2.293 3.643 1.00 0.00 C ATOM 450 C GLU A 31 4.658 1.021 2.876 1.00 0.00 C ATOM 451 O GLU A 31 4.773 -0.084 3.403 1.00 0.00 O ATOM 452 CB GLU A 31 3.726 2.896 4.230 1.00 0.00 C ATOM 453 CG GLU A 31 4.088 4.048 5.169 1.00 0.00 C ATOM 454 CD GLU A 31 2.817 4.745 5.630 1.00 0.00 C ATOM 455 OE1 GLU A 31 1.750 4.248 5.310 1.00 0.00 O ATOM 456 OE2 GLU A 31 2.929 5.763 6.294 1.00 0.00 O ATOM 0 H GLU A 31 5.061 4.062 2.522 1.00 0.00 H new ATOM 0 HA GLU A 31 5.686 2.045 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.080 3.256 3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.167 2.133 4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.641 3.670 6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.739 4.757 4.658 1.00 0.00 H new ATOM 463 N LEU A 32 4.253 1.183 1.619 1.00 0.00 N ATOM 464 CA LEU A 32 3.926 0.025 0.799 1.00 0.00 C ATOM 465 C LEU A 32 5.191 -0.814 0.642 1.00 0.00 C ATOM 466 O LEU A 32 5.160 -2.035 0.776 1.00 0.00 O ATOM 467 CB LEU A 32 3.388 0.463 -0.575 1.00 0.00 C ATOM 468 CG LEU A 32 2.935 -0.769 -1.395 1.00 0.00 C ATOM 469 CD1 LEU A 32 1.526 -1.204 -0.972 1.00 0.00 C ATOM 470 CD2 LEU A 32 2.923 -0.416 -2.881 1.00 0.00 C ATOM 0 H LEU A 32 4.146 2.085 1.156 1.00 0.00 H new ATOM 0 HA LEU A 32 3.144 -0.564 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.550 1.148 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.161 1.006 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 32 3.632 -1.587 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.222 -2.071 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.528 -1.464 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.826 -0.386 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.604 -1.284 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.232 0.409 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.925 -0.121 -3.193 1.00 0.00 H new ATOM 482 N ALA A 33 6.305 -0.143 0.367 1.00 0.00 N ATOM 483 CA ALA A 33 7.577 -0.838 0.201 1.00 0.00 C ATOM 484 C ALA A 33 7.882 -1.653 1.454 1.00 0.00 C ATOM 485 O ALA A 33 8.353 -2.786 1.366 1.00 0.00 O ATOM 486 CB ALA A 33 8.700 0.166 -0.058 1.00 0.00 C ATOM 0 H ALA A 33 6.354 0.870 0.255 1.00 0.00 H new ATOM 0 HA ALA A 33 7.507 -1.508 -0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.643 -0.367 -0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.482 0.730 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.777 0.852 0.786 1.00 0.00 H new ATOM 492 N THR A 34 7.586 -1.083 2.617 1.00 0.00 N ATOM 493 CA THR A 34 7.811 -1.793 3.869 1.00 0.00 C ATOM 494 C THR A 34 6.903 -3.027 3.927 1.00 0.00 C ATOM 495 O THR A 34 7.328 -4.098 4.374 1.00 0.00 O ATOM 496 CB THR A 34 7.568 -0.858 5.068 1.00 0.00 C ATOM 497 OG1 THR A 34 8.672 0.031 5.193 1.00 0.00 O ATOM 498 CG2 THR A 34 7.437 -1.668 6.366 1.00 0.00 C ATOM 0 H THR A 34 7.196 -0.146 2.718 1.00 0.00 H new ATOM 0 HA THR A 34 8.848 -2.125 3.918 1.00 0.00 H new ATOM 0 HB THR A 34 6.645 -0.303 4.900 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.524 0.631 5.953 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.266 -0.990 7.202 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.598 -2.359 6.281 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.354 -2.231 6.538 1.00 0.00 H new ATOM 506 N VAL A 35 5.650 -2.884 3.470 1.00 0.00 N ATOM 507 CA VAL A 35 4.732 -4.023 3.481 1.00 0.00 C ATOM 508 C VAL A 35 5.210 -5.099 2.510 1.00 0.00 C ATOM 509 O VAL A 35 5.261 -6.280 2.853 1.00 0.00 O ATOM 510 CB VAL A 35 3.300 -3.583 3.139 1.00 0.00 C ATOM 511 CG1 VAL A 35 2.418 -4.820 2.938 1.00 0.00 C ATOM 512 CG2 VAL A 35 2.742 -2.764 4.302 1.00 0.00 C ATOM 0 H VAL A 35 5.261 -2.017 3.099 1.00 0.00 H new ATOM 0 HA VAL A 35 4.722 -4.441 4.488 1.00 0.00 H new ATOM 0 HB VAL A 35 3.309 -2.986 2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.402 -4.507 2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.817 -5.422 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.407 -5.411 3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.726 -2.447 4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.734 -3.374 5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.368 -1.886 4.462 1.00 0.00 H new ATOM 522 N ILE A 36 5.585 -4.684 1.305 1.00 0.00 N ATOM 523 CA ILE A 36 6.069 -5.631 0.308 1.00 0.00 C ATOM 524 C ILE A 36 7.326 -6.318 0.812 1.00 0.00 C ATOM 525 O ILE A 36 7.486 -7.527 0.660 1.00 0.00 O ATOM 526 CB ILE A 36 6.341 -4.915 -1.024 1.00 0.00 C ATOM 527 CG1 ILE A 36 5.066 -4.169 -1.490 1.00 0.00 C ATOM 528 CG2 ILE A 36 6.766 -5.937 -2.090 1.00 0.00 C ATOM 529 CD1 ILE A 36 4.141 -5.128 -2.259 1.00 0.00 C ATOM 0 H ILE A 36 5.564 -3.712 0.998 1.00 0.00 H new ATOM 0 HA ILE A 36 5.302 -6.387 0.138 1.00 0.00 H new ATOM 0 HB ILE A 36 7.145 -4.193 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.540 -3.758 -0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.340 -3.328 -2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.957 -5.422 -3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.673 -6.447 -1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.970 -6.668 -2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.248 -4.592 -2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.665 -5.518 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.853 -5.955 -1.610 1.00 0.00 H new ATOM 541 N ARG A 37 8.198 -5.544 1.431 1.00 0.00 N ATOM 542 CA ARG A 37 9.434 -6.092 1.977 1.00 0.00 C ATOM 543 C ARG A 37 9.131 -7.206 2.973 1.00 0.00 C ATOM 544 O ARG A 37 9.819 -8.226 3.008 1.00 0.00 O ATOM 545 CB ARG A 37 10.230 -4.988 2.671 1.00 0.00 C ATOM 546 CG ARG A 37 11.508 -5.580 3.256 1.00 0.00 C ATOM 547 CD ARG A 37 12.420 -4.455 3.740 1.00 0.00 C ATOM 548 NE ARG A 37 13.626 -5.006 4.349 1.00 0.00 N ATOM 549 CZ ARG A 37 14.646 -4.221 4.670 1.00 0.00 C ATOM 550 NH1 ARG A 37 14.575 -2.939 4.439 1.00 0.00 N ATOM 551 NH2 ARG A 37 15.717 -4.729 5.212 1.00 0.00 N ATOM 0 H ARG A 37 8.079 -4.541 1.570 1.00 0.00 H new ATOM 0 HA ARG A 37 10.022 -6.504 1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.473 -4.198 1.961 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.631 -4.534 3.460 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.266 -6.247 4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.021 -6.179 2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.689 -3.811 2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.891 -3.834 4.463 1.00 0.00 H new ATOM 0 HE ARG A 37 13.686 -6.008 4.530 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.737 -2.543 4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.357 -2.332 4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.772 -5.732 5.390 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.500 -4.124 5.458 1.00 0.00 H new ATOM 565 N SER A 38 8.096 -7.009 3.773 1.00 0.00 N ATOM 566 CA SER A 38 7.704 -8.009 4.761 1.00 0.00 C ATOM 567 C SER A 38 7.145 -9.256 4.081 1.00 0.00 C ATOM 568 O SER A 38 7.305 -10.371 4.578 1.00 0.00 O ATOM 569 CB SER A 38 6.637 -7.439 5.689 1.00 0.00 C ATOM 570 OG SER A 38 7.225 -6.455 6.527 1.00 0.00 O ATOM 0 H SER A 38 7.513 -6.172 3.761 1.00 0.00 H new ATOM 0 HA SER A 38 8.592 -8.279 5.333 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.827 -7.001 5.106 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.200 -8.235 6.293 1.00 0.00 H new ATOM 0 HG SER A 38 7.343 -5.623 6.022 1.00 0.00 H new ATOM 576 N LEU A 39 6.454 -9.059 2.962 1.00 0.00 N ATOM 577 CA LEU A 39 5.844 -10.168 2.264 1.00 0.00 C ATOM 578 C LEU A 39 6.847 -11.199 1.829 1.00 0.00 C ATOM 579 O LEU A 39 6.537 -12.368 1.978 1.00 0.00 O ATOM 580 CB LEU A 39 5.059 -9.675 1.046 1.00 0.00 C ATOM 581 CG LEU A 39 3.782 -8.945 1.491 1.00 0.00 C ATOM 582 CD1 LEU A 39 3.068 -8.352 0.263 1.00 0.00 C ATOM 583 CD2 LEU A 39 2.832 -9.926 2.222 1.00 0.00 C ATOM 0 H LEU A 39 6.308 -8.147 2.528 1.00 0.00 H new ATOM 0 HA LEU A 39 5.165 -10.643 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.680 -9.005 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.799 -10.519 0.407 1.00 0.00 H new ATOM 0 HG LEU A 39 4.056 -8.141 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.163 -7.835 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.731 -7.647 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.804 -9.154 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.931 -9.397 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.561 -10.740 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.334 -10.333 3.100 1.00 0.00 H new ATOM 595 N ASP A 40 8.020 -10.763 1.311 1.00 0.00 N ATOM 596 CA ASP A 40 9.098 -11.677 0.847 1.00 0.00 C ATOM 597 C ASP A 40 9.650 -11.246 -0.517 1.00 0.00 C ATOM 598 O ASP A 40 10.301 -12.036 -1.200 1.00 0.00 O ATOM 599 CB ASP A 40 8.618 -13.139 0.721 1.00 0.00 C ATOM 600 CG ASP A 40 8.519 -13.790 2.110 1.00 0.00 C ATOM 601 OD1 ASP A 40 8.981 -13.184 3.068 1.00 0.00 O ATOM 602 OD2 ASP A 40 7.977 -14.877 2.194 1.00 0.00 O ATOM 0 H ASP A 40 8.247 -9.775 1.202 1.00 0.00 H new ATOM 0 HA ASP A 40 9.877 -11.618 1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.646 -13.169 0.228 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.310 -13.703 0.096 1.00 0.00 H new ATOM 607 N GLN A 41 9.395 -10.003 -0.919 1.00 0.00 N ATOM 608 CA GLN A 41 9.880 -9.516 -2.215 1.00 0.00 C ATOM 609 C GLN A 41 10.191 -8.025 -2.126 1.00 0.00 C ATOM 610 O GLN A 41 9.727 -7.340 -1.216 1.00 0.00 O ATOM 611 CB GLN A 41 8.817 -9.764 -3.301 1.00 0.00 C ATOM 612 CG GLN A 41 7.423 -9.652 -2.682 1.00 0.00 C ATOM 613 CD GLN A 41 6.364 -9.599 -3.778 1.00 0.00 C ATOM 614 OE1 GLN A 41 6.643 -9.153 -4.891 1.00 0.00 O ATOM 615 NE2 GLN A 41 5.155 -10.023 -3.529 1.00 0.00 N ATOM 0 H GLN A 41 8.864 -9.321 -0.378 1.00 0.00 H new ATOM 0 HA GLN A 41 10.790 -10.055 -2.478 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.928 -9.039 -4.107 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.954 -10.752 -3.740 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.238 -10.504 -2.028 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.362 -8.756 -2.064 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.924 -10.393 -2.607 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.441 -9.985 -4.257 1.00 0.00 H new ATOM 624 N ASN A 42 10.982 -7.525 -3.070 1.00 0.00 N ATOM 625 CA ASN A 42 11.340 -6.108 -3.077 1.00 0.00 C ATOM 626 C ASN A 42 11.583 -5.614 -4.501 1.00 0.00 C ATOM 627 O ASN A 42 12.729 -5.467 -4.927 1.00 0.00 O ATOM 628 CB ASN A 42 12.604 -5.891 -2.237 1.00 0.00 C ATOM 629 CG ASN A 42 12.879 -4.398 -2.096 1.00 0.00 C ATOM 630 OD1 ASN A 42 12.564 -3.803 -1.063 1.00 0.00 O ATOM 631 ND2 ASN A 42 13.444 -3.754 -3.079 1.00 0.00 N ATOM 0 H ASN A 42 11.384 -8.071 -3.832 1.00 0.00 H new ATOM 0 HA ASN A 42 10.512 -5.542 -2.651 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.480 -6.342 -1.252 1.00 0.00 H new ATOM 0 HB3 ASN A 42 13.454 -6.384 -2.708 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.627 -2.754 -2.995 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.703 -4.250 -3.932 1.00 0.00 H new ATOM 638 N PRO A 43 10.532 -5.351 -5.237 1.00 0.00 N ATOM 639 CA PRO A 43 10.637 -4.855 -6.642 1.00 0.00 C ATOM 640 C PRO A 43 11.425 -3.550 -6.713 1.00 0.00 C ATOM 641 O PRO A 43 11.912 -3.057 -5.695 1.00 0.00 O ATOM 642 CB PRO A 43 9.175 -4.653 -7.079 1.00 0.00 C ATOM 643 CG PRO A 43 8.363 -5.484 -6.139 1.00 0.00 C ATOM 644 CD PRO A 43 9.127 -5.494 -4.815 1.00 0.00 C ATOM 0 HA PRO A 43 11.172 -5.550 -7.290 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.889 -3.603 -7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.026 -4.969 -8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.365 -5.064 -6.010 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.236 -6.496 -6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.817 -4.676 -4.165 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.964 -6.420 -4.263 1.00 0.00 H new ATOM 652 N THR A 44 11.542 -2.983 -7.913 1.00 0.00 N ATOM 653 CA THR A 44 12.265 -1.726 -8.078 1.00 0.00 C ATOM 654 C THR A 44 11.304 -0.554 -7.921 1.00 0.00 C ATOM 655 O THR A 44 10.125 -0.661 -8.270 1.00 0.00 O ATOM 656 CB THR A 44 12.906 -1.683 -9.474 1.00 0.00 C ATOM 657 OG1 THR A 44 11.981 -2.192 -10.427 1.00 0.00 O ATOM 658 CG2 THR A 44 14.176 -2.538 -9.489 1.00 0.00 C ATOM 0 H THR A 44 11.151 -3.368 -8.773 1.00 0.00 H new ATOM 0 HA THR A 44 13.043 -1.656 -7.318 1.00 0.00 H new ATOM 0 HB THR A 44 13.165 -0.654 -9.723 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.384 -2.166 -11.320 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.626 -2.504 -10.481 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.884 -2.151 -8.756 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.924 -3.569 -9.241 1.00 0.00 H new ATOM 666 N GLU A 45 11.813 0.561 -7.405 1.00 0.00 N ATOM 667 CA GLU A 45 10.981 1.748 -7.221 1.00 0.00 C ATOM 668 C GLU A 45 10.086 1.956 -8.439 1.00 0.00 C ATOM 669 O GLU A 45 8.986 2.496 -8.328 1.00 0.00 O ATOM 670 CB GLU A 45 11.846 2.986 -7.015 1.00 0.00 C ATOM 671 CG GLU A 45 12.527 2.914 -5.647 1.00 0.00 C ATOM 672 CD GLU A 45 13.419 4.133 -5.442 1.00 0.00 C ATOM 673 OE1 GLU A 45 13.453 4.972 -6.327 1.00 0.00 O ATOM 674 OE2 GLU A 45 14.051 4.214 -4.403 1.00 0.00 O ATOM 0 H GLU A 45 12.784 0.669 -7.110 1.00 0.00 H new ATOM 0 HA GLU A 45 10.364 1.595 -6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.596 3.053 -7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.233 3.885 -7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.775 2.867 -4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.121 2.003 -5.575 1.00 0.00 H new ATOM 681 N GLU A 46 10.554 1.500 -9.601 1.00 0.00 N ATOM 682 CA GLU A 46 9.777 1.628 -10.819 1.00 0.00 C ATOM 683 C GLU A 46 8.459 0.858 -10.696 1.00 0.00 C ATOM 684 O GLU A 46 7.392 1.391 -10.998 1.00 0.00 O ATOM 685 CB GLU A 46 10.614 1.096 -12.017 1.00 0.00 C ATOM 686 CG GLU A 46 9.741 0.275 -12.987 1.00 0.00 C ATOM 687 CD GLU A 46 10.485 -0.011 -14.274 1.00 0.00 C ATOM 688 OE1 GLU A 46 11.638 0.363 -14.363 1.00 0.00 O ATOM 689 OE2 GLU A 46 9.881 -0.599 -15.156 1.00 0.00 O ATOM 0 H GLU A 46 11.459 1.044 -9.718 1.00 0.00 H new ATOM 0 HA GLU A 46 9.537 2.678 -10.988 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.065 1.934 -12.549 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.431 0.477 -11.647 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.449 -0.663 -12.515 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.823 0.820 -13.206 1.00 0.00 H new ATOM 696 N GLU A 47 8.548 -0.410 -10.299 1.00 0.00 N ATOM 697 CA GLU A 47 7.355 -1.233 -10.194 1.00 0.00 C ATOM 698 C GLU A 47 6.455 -0.696 -9.093 1.00 0.00 C ATOM 699 O GLU A 47 5.233 -0.692 -9.225 1.00 0.00 O ATOM 700 CB GLU A 47 7.731 -2.692 -9.922 1.00 0.00 C ATOM 701 CG GLU A 47 8.422 -3.285 -11.156 1.00 0.00 C ATOM 702 CD GLU A 47 8.611 -4.788 -10.975 1.00 0.00 C ATOM 703 OE1 GLU A 47 7.967 -5.341 -10.103 1.00 0.00 O ATOM 704 OE2 GLU A 47 9.400 -5.362 -11.710 1.00 0.00 O ATOM 0 H GLU A 47 9.419 -0.879 -10.050 1.00 0.00 H new ATOM 0 HA GLU A 47 6.814 -1.195 -11.140 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.393 -2.752 -9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.838 -3.269 -9.680 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.825 -3.090 -12.047 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.388 -2.804 -11.308 1.00 0.00 H new ATOM 711 N LEU A 48 7.070 -0.217 -8.016 1.00 0.00 N ATOM 712 CA LEU A 48 6.308 0.347 -6.912 1.00 0.00 C ATOM 713 C LEU A 48 5.536 1.575 -7.389 1.00 0.00 C ATOM 714 O LEU A 48 4.364 1.746 -7.059 1.00 0.00 O ATOM 715 CB LEU A 48 7.262 0.722 -5.766 1.00 0.00 C ATOM 716 CG LEU A 48 7.440 -0.465 -4.814 1.00 0.00 C ATOM 717 CD1 LEU A 48 8.013 -1.653 -5.581 1.00 0.00 C ATOM 718 CD2 LEU A 48 8.398 -0.071 -3.690 1.00 0.00 C ATOM 0 H LEU A 48 8.082 -0.208 -7.886 1.00 0.00 H new ATOM 0 HA LEU A 48 5.594 -0.392 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.229 1.020 -6.171 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.867 1.579 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 48 6.475 -0.742 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.139 -2.497 -4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.330 -1.931 -6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.979 -1.380 -6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.527 -0.913 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.363 0.204 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.987 0.777 -3.143 1.00 0.00 H new ATOM 730 N GLN A 49 6.191 2.414 -8.181 1.00 0.00 N ATOM 731 CA GLN A 49 5.539 3.603 -8.704 1.00 0.00 C ATOM 732 C GLN A 49 4.564 3.232 -9.818 1.00 0.00 C ATOM 733 O GLN A 49 3.439 3.728 -9.859 1.00 0.00 O ATOM 734 CB GLN A 49 6.588 4.589 -9.224 1.00 0.00 C ATOM 735 CG GLN A 49 7.338 5.205 -8.038 1.00 0.00 C ATOM 736 CD GLN A 49 8.412 6.164 -8.540 1.00 0.00 C ATOM 737 OE1 GLN A 49 8.146 6.994 -9.410 1.00 0.00 O ATOM 738 NE2 GLN A 49 9.613 6.103 -8.037 1.00 0.00 N ATOM 0 H GLN A 49 7.161 2.294 -8.471 1.00 0.00 H new ATOM 0 HA GLN A 49 4.977 4.076 -7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.288 4.078 -9.885 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.108 5.372 -9.811 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.639 5.735 -7.391 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.794 4.418 -7.437 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.830 5.414 -7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.336 6.744 -8.364 1.00 0.00 H new ATOM 747 N ASP A 50 5.000 2.357 -10.722 1.00 0.00 N ATOM 748 CA ASP A 50 4.147 1.937 -11.830 1.00 0.00 C ATOM 749 C ASP A 50 2.902 1.222 -11.308 1.00 0.00 C ATOM 750 O ASP A 50 1.802 1.425 -11.823 1.00 0.00 O ATOM 751 CB ASP A 50 4.922 1.006 -12.767 1.00 0.00 C ATOM 752 CG ASP A 50 4.055 0.633 -13.966 1.00 0.00 C ATOM 753 OD1 ASP A 50 2.887 0.985 -13.959 1.00 0.00 O ATOM 754 OD2 ASP A 50 4.572 0.003 -14.873 1.00 0.00 O ATOM 0 H ASP A 50 5.926 1.930 -10.710 1.00 0.00 H new ATOM 0 HA ASP A 50 3.837 2.825 -12.381 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.835 1.496 -13.106 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.223 0.106 -12.231 1.00 0.00 H new ATOM 759 N MET A 51 3.073 0.407 -10.264 1.00 0.00 N ATOM 760 CA MET A 51 1.940 -0.295 -9.679 1.00 0.00 C ATOM 761 C MET A 51 1.003 0.705 -9.013 1.00 0.00 C ATOM 762 O MET A 51 -0.213 0.642 -9.186 1.00 0.00 O ATOM 763 CB MET A 51 2.423 -1.333 -8.663 1.00 0.00 C ATOM 764 CG MET A 51 1.223 -2.090 -8.082 1.00 0.00 C ATOM 765 SD MET A 51 1.800 -3.543 -7.164 1.00 0.00 S ATOM 766 CE MET A 51 2.952 -2.696 -6.054 1.00 0.00 C ATOM 0 H MET A 51 3.971 0.222 -9.816 1.00 0.00 H new ATOM 0 HA MET A 51 1.399 -0.815 -10.469 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.108 -2.032 -9.142 1.00 0.00 H new ATOM 0 HB3 MET A 51 2.977 -0.842 -7.863 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.652 -1.435 -7.423 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.552 -2.398 -8.884 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.081 -3.284 -5.145 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.915 -2.579 -6.550 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.554 -1.714 -5.797 1.00 0.00 H new ATOM 776 N ILE A 52 1.580 1.648 -8.270 1.00 0.00 N ATOM 777 CA ILE A 52 0.777 2.670 -7.614 1.00 0.00 C ATOM 778 C ILE A 52 0.125 3.566 -8.658 1.00 0.00 C ATOM 779 O ILE A 52 -1.058 3.876 -8.566 1.00 0.00 O ATOM 780 CB ILE A 52 1.642 3.504 -6.660 1.00 0.00 C ATOM 781 CG1 ILE A 52 2.040 2.639 -5.464 1.00 0.00 C ATOM 782 CG2 ILE A 52 0.847 4.717 -6.162 1.00 0.00 C ATOM 783 CD1 ILE A 52 3.150 3.340 -4.678 1.00 0.00 C ATOM 0 H ILE A 52 2.585 1.723 -8.111 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.003 2.182 -7.030 1.00 0.00 H new ATOM 0 HB ILE A 52 2.532 3.849 -7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.176 2.468 -4.821 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.382 1.662 -5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.467 5.305 -5.485 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.553 5.333 -7.012 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.044 4.376 -5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.436 2.725 -3.825 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.015 3.488 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.791 4.307 -4.325 1.00 0.00 H new ATOM 795 N SER A 53 0.900 3.964 -9.655 1.00 0.00 N ATOM 796 CA SER A 53 0.380 4.812 -10.714 1.00 0.00 C ATOM 797 C SER A 53 -0.748 4.098 -11.447 1.00 0.00 C ATOM 798 O SER A 53 -1.733 4.719 -11.850 1.00 0.00 O ATOM 799 CB SER A 53 1.491 5.171 -11.702 1.00 0.00 C ATOM 800 OG SER A 53 0.910 5.705 -12.883 1.00 0.00 O ATOM 0 H SER A 53 1.884 3.715 -9.752 1.00 0.00 H new ATOM 0 HA SER A 53 -0.005 5.729 -10.267 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.170 5.897 -11.256 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.082 4.287 -11.941 1.00 0.00 H new ATOM 0 HG SER A 53 1.618 5.938 -13.519 1.00 0.00 H new ATOM 806 N GLU A 54 -0.600 2.788 -11.617 1.00 0.00 N ATOM 807 CA GLU A 54 -1.610 1.998 -12.311 1.00 0.00 C ATOM 808 C GLU A 54 -2.981 2.160 -11.652 1.00 0.00 C ATOM 809 O GLU A 54 -4.006 2.140 -12.333 1.00 0.00 O ATOM 810 CB GLU A 54 -1.208 0.519 -12.317 1.00 0.00 C ATOM 811 CG GLU A 54 -2.199 -0.278 -13.172 1.00 0.00 C ATOM 812 CD GLU A 54 -1.764 -1.739 -13.250 1.00 0.00 C ATOM 813 OE1 GLU A 54 -0.644 -2.023 -12.861 1.00 0.00 O ATOM 814 OE2 GLU A 54 -2.561 -2.551 -13.691 1.00 0.00 O ATOM 0 H GLU A 54 0.204 2.254 -11.286 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.677 2.359 -13.337 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.199 0.407 -12.713 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.196 0.131 -11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.199 -0.210 -12.743 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.252 0.148 -14.174 1.00 0.00 H new ATOM 821 N VAL A 55 -3.003 2.311 -10.323 1.00 0.00 N ATOM 822 CA VAL A 55 -4.268 2.466 -9.588 1.00 0.00 C ATOM 823 C VAL A 55 -4.448 3.883 -9.062 1.00 0.00 C ATOM 824 O VAL A 55 -5.577 4.358 -8.934 1.00 0.00 O ATOM 825 CB VAL A 55 -4.319 1.489 -8.418 1.00 0.00 C ATOM 826 CG1 VAL A 55 -3.171 1.781 -7.450 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.655 1.632 -7.687 1.00 0.00 C ATOM 0 H VAL A 55 -2.169 2.329 -9.737 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.076 2.255 -10.288 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.220 0.471 -8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.211 1.081 -6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.220 1.671 -7.970 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.263 2.800 -7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.689 0.933 -6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.758 2.650 -7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.472 1.415 -8.376 1.00 0.00 H new ATOM 837 N ASP A 56 -3.346 4.559 -8.751 1.00 0.00 N ATOM 838 CA ASP A 56 -3.450 5.918 -8.239 1.00 0.00 C ATOM 839 C ASP A 56 -4.050 6.800 -9.321 1.00 0.00 C ATOM 840 O ASP A 56 -3.347 7.556 -9.991 1.00 0.00 O ATOM 841 CB ASP A 56 -2.076 6.443 -7.808 1.00 0.00 C ATOM 842 CG ASP A 56 -2.228 7.719 -6.986 1.00 0.00 C ATOM 843 OD1 ASP A 56 -3.339 8.223 -6.904 1.00 0.00 O ATOM 844 OD2 ASP A 56 -1.232 8.172 -6.444 1.00 0.00 O ATOM 0 H ASP A 56 -2.396 4.199 -8.842 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.094 5.930 -7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.558 5.685 -7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.463 6.640 -8.687 1.00 0.00 H new ATOM 849 N ALA A 57 -5.364 6.684 -9.488 1.00 0.00 N ATOM 850 CA ALA A 57 -6.063 7.464 -10.499 1.00 0.00 C ATOM 851 C ALA A 57 -5.807 8.948 -10.291 1.00 0.00 C ATOM 852 O ALA A 57 -5.908 9.740 -11.225 1.00 0.00 O ATOM 853 CB ALA A 57 -7.570 7.199 -10.434 1.00 0.00 C ATOM 0 H ALA A 57 -5.960 6.063 -8.941 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.687 7.165 -11.477 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.077 7.790 -11.197 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.761 6.140 -10.609 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.946 7.478 -9.450 1.00 0.00 H new ATOM 859 N ASP A 58 -5.482 9.321 -9.054 1.00 0.00 N ATOM 860 CA ASP A 58 -5.220 10.723 -8.728 1.00 0.00 C ATOM 861 C ASP A 58 -3.726 11.043 -8.779 1.00 0.00 C ATOM 862 O ASP A 58 -3.343 12.200 -8.953 1.00 0.00 O ATOM 863 CB ASP A 58 -5.761 11.022 -7.332 1.00 0.00 C ATOM 864 CG ASP A 58 -5.348 9.914 -6.370 1.00 0.00 C ATOM 865 OD1 ASP A 58 -5.732 8.780 -6.606 1.00 0.00 O ATOM 866 OD2 ASP A 58 -4.650 10.211 -5.416 1.00 0.00 O ATOM 0 H ASP A 58 -5.394 8.678 -8.267 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.720 11.346 -9.469 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.379 11.981 -6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.848 11.103 -7.363 1.00 0.00 H new ATOM 871 N GLY A 59 -2.884 10.026 -8.623 1.00 0.00 N ATOM 872 CA GLY A 59 -1.440 10.241 -8.654 1.00 0.00 C ATOM 873 C GLY A 59 -0.969 11.036 -7.435 1.00 0.00 C ATOM 874 O GLY A 59 -0.082 11.883 -7.546 1.00 0.00 O ATOM 0 H GLY A 59 -3.170 9.058 -8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.928 9.279 -8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.169 10.774 -9.565 1.00 0.00 H new ATOM 878 N ASN A 60 -1.566 10.770 -6.273 1.00 0.00 N ATOM 879 CA ASN A 60 -1.187 11.487 -5.053 1.00 0.00 C ATOM 880 C ASN A 60 0.084 10.908 -4.435 1.00 0.00 C ATOM 881 O ASN A 60 0.702 11.536 -3.576 1.00 0.00 O ATOM 882 CB ASN A 60 -2.315 11.419 -4.024 1.00 0.00 C ATOM 883 CG ASN A 60 -2.608 9.965 -3.676 1.00 0.00 C ATOM 884 OD1 ASN A 60 -2.025 9.056 -4.267 1.00 0.00 O ATOM 885 ND2 ASN A 60 -3.479 9.689 -2.745 1.00 0.00 N ATOM 0 H ASN A 60 -2.302 10.075 -6.150 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.000 12.524 -5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.034 11.968 -3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.211 11.895 -4.421 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.679 8.718 -2.505 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.960 10.444 -2.257 1.00 0.00 H new ATOM 892 N GLY A 61 0.468 9.703 -4.856 1.00 0.00 N ATOM 893 CA GLY A 61 1.665 9.057 -4.312 1.00 0.00 C ATOM 894 C GLY A 61 1.311 8.187 -3.108 1.00 0.00 C ATOM 895 O GLY A 61 2.190 7.612 -2.463 1.00 0.00 O ATOM 0 H GLY A 61 -0.025 9.159 -5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.136 8.446 -5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.391 9.815 -4.018 1.00 0.00 H new ATOM 899 N THR A 62 0.014 8.093 -2.820 1.00 0.00 N ATOM 900 CA THR A 62 -0.479 7.289 -1.698 1.00 0.00 C ATOM 901 C THR A 62 -1.668 6.444 -2.147 1.00 0.00 C ATOM 902 O THR A 62 -2.334 6.769 -3.132 1.00 0.00 O ATOM 903 CB THR A 62 -0.912 8.204 -0.548 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.079 8.918 -0.930 1.00 0.00 O ATOM 905 CG2 THR A 62 0.208 9.192 -0.223 1.00 0.00 C ATOM 0 H THR A 62 -0.719 8.565 -3.349 1.00 0.00 H new ATOM 0 HA THR A 62 0.323 6.634 -1.356 1.00 0.00 H new ATOM 0 HB THR A 62 -1.124 7.600 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.359 9.504 -0.196 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.105 9.840 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.103 8.644 0.070 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.426 9.798 -1.103 1.00 0.00 H new ATOM 913 N ILE A 63 -1.933 5.358 -1.420 1.00 0.00 N ATOM 914 CA ILE A 63 -3.051 4.469 -1.748 1.00 0.00 C ATOM 915 C ILE A 63 -4.128 4.582 -0.671 1.00 0.00 C ATOM 916 O ILE A 63 -3.839 4.446 0.518 1.00 0.00 O ATOM 917 CB ILE A 63 -2.568 3.014 -1.829 1.00 0.00 C ATOM 918 CG1 ILE A 63 -1.257 2.945 -2.617 1.00 0.00 C ATOM 919 CG2 ILE A 63 -3.622 2.163 -2.545 1.00 0.00 C ATOM 920 CD1 ILE A 63 -0.754 1.498 -2.645 1.00 0.00 C ATOM 0 H ILE A 63 -1.392 5.073 -0.604 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.461 4.764 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.409 2.636 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.412 3.307 -3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.510 3.592 -2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.278 1.130 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.560 2.203 -1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.779 2.549 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.179 1.448 -3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.584 1.152 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.499 0.863 -3.124 1.00 0.00 H new ATOM 932 N GLU A 64 -5.366 4.835 -1.091 1.00 0.00 N ATOM 933 CA GLU A 64 -6.479 4.966 -0.148 1.00 0.00 C ATOM 934 C GLU A 64 -7.221 3.638 -0.018 1.00 0.00 C ATOM 935 O GLU A 64 -6.904 2.670 -0.708 1.00 0.00 O ATOM 936 CB GLU A 64 -7.440 6.062 -0.618 1.00 0.00 C ATOM 937 CG GLU A 64 -7.901 5.772 -2.044 1.00 0.00 C ATOM 938 CD GLU A 64 -8.800 6.897 -2.542 1.00 0.00 C ATOM 939 OE1 GLU A 64 -8.353 8.032 -2.539 1.00 0.00 O ATOM 940 OE2 GLU A 64 -9.922 6.606 -2.926 1.00 0.00 O ATOM 0 H GLU A 64 -5.625 4.953 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.080 5.241 0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.301 6.113 0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.946 7.033 -0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.037 5.669 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.439 4.825 -2.075 1.00 0.00 H new ATOM 947 N PHE A 65 -8.191 3.586 0.889 1.00 0.00 N ATOM 948 CA PHE A 65 -8.941 2.351 1.107 1.00 0.00 C ATOM 949 C PHE A 65 -9.529 1.838 -0.204 1.00 0.00 C ATOM 950 O PHE A 65 -9.364 0.667 -0.545 1.00 0.00 O ATOM 951 CB PHE A 65 -10.067 2.587 2.120 1.00 0.00 C ATOM 952 CG PHE A 65 -10.947 1.355 2.210 1.00 0.00 C ATOM 953 CD1 PHE A 65 -10.568 0.280 3.024 1.00 0.00 C ATOM 954 CD2 PHE A 65 -12.141 1.290 1.481 1.00 0.00 C ATOM 955 CE1 PHE A 65 -11.383 -0.857 3.107 1.00 0.00 C ATOM 956 CE2 PHE A 65 -12.955 0.152 1.564 1.00 0.00 C ATOM 957 CZ PHE A 65 -12.574 -0.920 2.378 1.00 0.00 C ATOM 0 H PHE A 65 -8.474 4.370 1.477 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.255 1.601 1.500 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.645 2.816 3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -10.663 3.449 1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.648 0.327 3.588 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.435 2.118 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -11.091 -1.686 3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -13.875 0.103 1.000 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.201 -1.797 2.443 1.00 0.00 H new ATOM 967 N ASP A 66 -10.215 2.706 -0.941 1.00 0.00 N ATOM 968 CA ASP A 66 -10.814 2.291 -2.205 1.00 0.00 C ATOM 969 C ASP A 66 -9.745 1.739 -3.141 1.00 0.00 C ATOM 970 O ASP A 66 -9.814 0.588 -3.571 1.00 0.00 O ATOM 971 CB ASP A 66 -11.512 3.480 -2.868 1.00 0.00 C ATOM 972 CG ASP A 66 -12.740 3.879 -2.057 1.00 0.00 C ATOM 973 OD1 ASP A 66 -13.167 3.085 -1.236 1.00 0.00 O ATOM 974 OD2 ASP A 66 -13.236 4.974 -2.269 1.00 0.00 O ATOM 0 H ASP A 66 -10.368 3.683 -0.692 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.546 1.510 -2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.824 4.322 -2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.806 3.220 -3.885 1.00 0.00 H new ATOM 979 N GLU A 67 -8.757 2.565 -3.448 1.00 0.00 N ATOM 980 CA GLU A 67 -7.680 2.143 -4.329 1.00 0.00 C ATOM 981 C GLU A 67 -7.085 0.831 -3.836 1.00 0.00 C ATOM 982 O GLU A 67 -6.835 -0.083 -4.621 1.00 0.00 O ATOM 983 CB GLU A 67 -6.592 3.219 -4.373 1.00 0.00 C ATOM 984 CG GLU A 67 -7.116 4.449 -5.119 1.00 0.00 C ATOM 985 CD GLU A 67 -6.065 5.553 -5.105 1.00 0.00 C ATOM 986 OE1 GLU A 67 -4.980 5.302 -4.612 1.00 0.00 O ATOM 987 OE2 GLU A 67 -6.362 6.635 -5.585 1.00 0.00 O ATOM 0 H GLU A 67 -8.678 3.522 -3.104 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.082 1.997 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.297 3.494 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.703 2.831 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.363 4.183 -6.147 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.035 4.804 -4.652 1.00 0.00 H new ATOM 994 N PHE A 68 -6.875 0.739 -2.528 1.00 0.00 N ATOM 995 CA PHE A 68 -6.322 -0.474 -1.940 1.00 0.00 C ATOM 996 C PHE A 68 -7.258 -1.657 -2.163 1.00 0.00 C ATOM 997 O PHE A 68 -6.823 -2.737 -2.554 1.00 0.00 O ATOM 998 CB PHE A 68 -6.093 -0.278 -0.441 1.00 0.00 C ATOM 999 CG PHE A 68 -5.470 -1.528 0.139 1.00 0.00 C ATOM 1000 CD1 PHE A 68 -4.151 -1.867 -0.184 1.00 0.00 C ATOM 1001 CD2 PHE A 68 -6.208 -2.347 1.006 1.00 0.00 C ATOM 1002 CE1 PHE A 68 -3.570 -3.020 0.355 1.00 0.00 C ATOM 1003 CE2 PHE A 68 -5.627 -3.499 1.545 1.00 0.00 C ATOM 1004 CZ PHE A 68 -4.308 -3.836 1.221 1.00 0.00 C ATOM 0 H PHE A 68 -7.077 1.483 -1.860 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.369 -0.683 -2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.442 0.579 -0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.038 -0.064 0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.581 -1.237 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.226 -2.088 1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.553 -3.281 0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.197 -4.129 2.212 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.859 -4.725 1.639 1.00 0.00 H new ATOM 1014 N LEU A 69 -8.547 -1.448 -1.915 1.00 0.00 N ATOM 1015 CA LEU A 69 -9.527 -2.510 -2.097 1.00 0.00 C ATOM 1016 C LEU A 69 -9.610 -2.921 -3.563 1.00 0.00 C ATOM 1017 O LEU A 69 -9.648 -4.108 -3.884 1.00 0.00 O ATOM 1018 CB LEU A 69 -10.900 -2.032 -1.595 1.00 0.00 C ATOM 1019 CG LEU A 69 -11.949 -3.175 -1.715 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -12.877 -3.165 -0.492 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -12.797 -2.987 -2.987 1.00 0.00 C ATOM 0 H LEU A 69 -8.934 -0.562 -1.591 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.217 -3.381 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.822 -1.708 -0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.226 -1.168 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.419 -4.126 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.608 -3.968 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.288 -3.312 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.395 -2.207 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.527 -3.793 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.316 -2.030 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.148 -3.005 -3.863 1.00 0.00 H new ATOM 1033 N SER A 70 -9.619 -1.931 -4.449 1.00 0.00 N ATOM 1034 CA SER A 70 -9.677 -2.208 -5.879 1.00 0.00 C ATOM 1035 C SER A 70 -8.410 -2.924 -6.331 1.00 0.00 C ATOM 1036 O SER A 70 -8.471 -3.899 -7.077 1.00 0.00 O ATOM 1037 CB SER A 70 -9.845 -0.907 -6.663 1.00 0.00 C ATOM 1038 OG SER A 70 -11.021 -0.242 -6.221 1.00 0.00 O ATOM 0 H SER A 70 -9.587 -0.941 -4.206 1.00 0.00 H new ATOM 0 HA SER A 70 -10.535 -2.852 -6.072 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.975 -0.267 -6.518 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.912 -1.118 -7.730 1.00 0.00 H new ATOM 0 HG SER A 70 -10.869 0.133 -5.328 1.00 0.00 H new ATOM 1044 N LEU A 71 -7.262 -2.437 -5.871 1.00 0.00 N ATOM 1045 CA LEU A 71 -5.985 -3.042 -6.238 1.00 0.00 C ATOM 1046 C LEU A 71 -5.876 -4.464 -5.697 1.00 0.00 C ATOM 1047 O LEU A 71 -5.447 -5.388 -6.401 1.00 0.00 O ATOM 1048 CB LEU A 71 -4.826 -2.193 -5.691 1.00 0.00 C ATOM 1049 CG LEU A 71 -3.470 -2.842 -6.026 1.00 0.00 C ATOM 1050 CD1 LEU A 71 -3.342 -3.067 -7.541 1.00 0.00 C ATOM 1051 CD2 LEU A 71 -2.342 -1.918 -5.552 1.00 0.00 C ATOM 0 H LEU A 71 -7.189 -1.632 -5.249 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.929 -3.081 -7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.870 -1.191 -6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.926 -2.085 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.403 -3.806 -5.522 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.378 -3.526 -7.760 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.143 -3.724 -7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.414 -2.110 -8.058 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.378 -2.371 -5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.423 -0.956 -6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.422 -1.770 -4.475 1.00 0.00 H new ATOM 1063 N MET A 72 -6.281 -4.641 -4.445 1.00 0.00 N ATOM 1064 CA MET A 72 -6.221 -5.956 -3.830 1.00 0.00 C ATOM 1065 C MET A 72 -7.148 -6.920 -4.572 1.00 0.00 C ATOM 1066 O MET A 72 -6.781 -8.061 -4.851 1.00 0.00 O ATOM 1067 CB MET A 72 -6.627 -5.869 -2.356 1.00 0.00 C ATOM 1068 CG MET A 72 -5.500 -5.244 -1.522 1.00 0.00 C ATOM 1069 SD MET A 72 -4.055 -6.333 -1.496 1.00 0.00 S ATOM 1070 CE MET A 72 -4.596 -7.397 -0.135 1.00 0.00 C ATOM 0 H MET A 72 -6.649 -3.902 -3.846 1.00 0.00 H new ATOM 0 HA MET A 72 -5.198 -6.328 -3.891 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.534 -5.272 -2.257 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.858 -6.865 -1.977 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.225 -4.275 -1.939 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.848 -5.066 -0.504 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.802 -8.101 0.114 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.825 -6.784 0.737 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.487 -7.947 -0.436 1.00 0.00 H new ATOM 1080 N ALA A 73 -8.347 -6.452 -4.908 1.00 0.00 N ATOM 1081 CA ALA A 73 -9.296 -7.290 -5.630 1.00 0.00 C ATOM 1082 C ALA A 73 -8.694 -7.745 -6.961 1.00 0.00 C ATOM 1083 O ALA A 73 -8.689 -8.934 -7.270 1.00 0.00 O ATOM 1084 CB ALA A 73 -10.586 -6.511 -5.888 1.00 0.00 C ATOM 0 H ALA A 73 -8.680 -5.512 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.520 -8.168 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.291 -7.143 -6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.025 -6.208 -4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.363 -5.625 -6.483 1.00 0.00 H new