USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 420 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 38 MET CE :methyl -148:sc= -0.0381 (180deg=-1.51!) USER MOD Set 1.2: A 48 MET CE :methyl 161:sc= -2.84! (180deg=-4.27!) USER MOD Set 2.1: A 20 THR OG1 : rot 39:sc= 0.381 USER MOD Set 2.2: A 51 TYR OH : rot 76:sc= 1.16 USER MOD Single : A 11 THR OG1 : rot -166:sc= -2.36! USER MOD Single : A 14 GLN :FLIP amide:sc= -0.267 F(o=-1.3,f=-0.27) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.25 K(o=-2.3,f=-6.9!) USER MOD Single : A 22 SER OG : rot 75:sc= 1.24 USER MOD Single : A 24 LYS NZ :NH3+ -141:sc= 0.557 (180deg=0.0616) USER MOD Single : A 25 LYS NZ :NH3+ 139:sc= -0.128 (180deg=-0.58) USER MOD Single : A 30 THR OG1 : rot -69:sc= 1.22 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -100:sc= 1.23 USER MOD Single : A 40 SER OG : rot 89:sc= 1.21 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.129 F(o=-1.8!,f=-0.13) USER MOD Single : A 52 TYR OH : rot 74:sc= 0.364 USER MOD Single : A 58 GLN : amide:sc= -0.0512 X(o=-0.051,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 139 N LEU A 10 -10.315 8.578 4.602 1.00 0.00 N ATOM 140 CA LEU A 10 -10.753 8.222 3.291 1.00 0.00 C ATOM 141 C LEU A 10 -11.597 6.982 3.428 1.00 0.00 C ATOM 142 O LEU A 10 -11.778 6.480 4.538 1.00 0.00 O ATOM 143 CB LEU A 10 -9.555 7.908 2.374 1.00 0.00 C ATOM 144 CG LEU A 10 -8.289 8.756 2.542 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.447 8.208 3.676 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.494 8.792 1.266 1.00 0.00 C ATOM 0 HA LEU A 10 -11.310 9.049 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.282 6.864 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.889 8.004 1.341 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.585 9.777 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.549 8.816 3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.022 8.234 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.163 7.179 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.601 9.400 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.203 7.779 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.102 9.224 0.471 1.00 0.00 H new ATOM 158 N THR A 11 -12.086 6.474 2.343 1.00 0.00 N ATOM 159 CA THR A 11 -12.906 5.300 2.395 1.00 0.00 C ATOM 160 C THR A 11 -12.021 4.090 2.113 1.00 0.00 C ATOM 161 O THR A 11 -10.853 4.260 1.776 1.00 0.00 O ATOM 162 CB THR A 11 -14.060 5.377 1.355 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.536 5.108 0.054 1.00 0.00 O ATOM 164 CG2 THR A 11 -14.633 6.783 1.302 1.00 0.00 C ATOM 0 H THR A 11 -11.934 6.852 1.408 1.00 0.00 H new ATOM 0 HA THR A 11 -13.361 5.216 3.382 1.00 0.00 H new ATOM 0 HB THR A 11 -14.826 4.657 1.645 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.194 5.368 -0.624 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.439 6.820 0.570 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.022 7.055 2.283 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.850 7.485 1.015 1.00 0.00 H new ATOM 172 N PHE A 12 -12.566 2.889 2.216 1.00 0.00 N ATOM 173 CA PHE A 12 -11.791 1.686 1.934 1.00 0.00 C ATOM 174 C PHE A 12 -11.373 1.660 0.464 1.00 0.00 C ATOM 175 O PHE A 12 -10.259 1.312 0.096 1.00 0.00 O ATOM 176 CB PHE A 12 -12.582 0.419 2.310 1.00 0.00 C ATOM 177 CG PHE A 12 -11.869 -0.863 1.982 1.00 0.00 C ATOM 178 CD1 PHE A 12 -10.609 -1.121 2.492 1.00 0.00 C ATOM 179 CD2 PHE A 12 -12.457 -1.813 1.162 1.00 0.00 C ATOM 180 CE1 PHE A 12 -9.954 -2.286 2.189 1.00 0.00 C ATOM 181 CE2 PHE A 12 -11.796 -2.990 0.863 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.539 -3.220 1.382 1.00 0.00 C ATOM 0 H PHE A 12 -13.534 2.719 2.490 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.890 1.703 2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.797 0.441 3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.540 0.433 1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.136 -0.395 3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.440 -1.632 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.968 -2.467 2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.262 -3.727 0.225 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.018 -4.137 1.151 1.00 0.00 H new ATOM 192 N ASP A 13 -12.305 2.137 -0.319 1.00 0.00 N ATOM 193 CA ASP A 13 -12.152 2.349 -1.762 1.00 0.00 C ATOM 194 C ASP A 13 -11.061 3.343 -2.034 1.00 0.00 C ATOM 195 O ASP A 13 -10.199 3.139 -2.885 1.00 0.00 O ATOM 196 CB ASP A 13 -13.448 2.906 -2.292 1.00 0.00 C ATOM 197 CG ASP A 13 -13.493 3.105 -3.788 1.00 0.00 C ATOM 198 OD1 ASP A 13 -13.567 2.103 -4.518 1.00 0.00 O ATOM 199 OD2 ASP A 13 -13.540 4.265 -4.248 1.00 0.00 O ATOM 0 H ASP A 13 -13.227 2.402 0.027 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.899 1.404 -2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -14.258 2.236 -2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.640 3.863 -1.807 1.00 0.00 H new ATOM 204 N GLN A 14 -11.057 4.377 -1.241 1.00 0.00 N ATOM 205 CA GLN A 14 -10.146 5.459 -1.428 1.00 0.00 C ATOM 206 C GLN A 14 -8.764 5.088 -0.950 1.00 0.00 C ATOM 207 O GLN A 14 -7.767 5.528 -1.507 1.00 0.00 O ATOM 208 CB GLN A 14 -10.652 6.738 -0.797 1.00 0.00 C ATOM 209 CG GLN A 14 -11.941 7.237 -1.440 1.00 0.00 C ATOM 210 CD GLN A 14 -11.793 7.566 -2.924 1.00 0.00 C ATOM 211 OE1 GLN A 14 -10.642 8.014 -3.307 1.00 0.00 O flip ATOM 212 NE2 GLN A 14 -12.720 7.421 -3.714 1.00 0.00 N flip ATOM 0 H GLN A 14 -11.688 4.489 -0.447 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.076 5.656 -2.498 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.821 6.572 0.267 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.886 7.509 -0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.715 6.479 -1.319 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.281 8.127 -0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.618 7.066 -3.387 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.593 7.656 -4.698 1.00 0.00 H new ATOM 221 N VAL A 15 -8.719 4.302 0.107 1.00 0.00 N ATOM 222 CA VAL A 15 -7.473 3.880 0.694 1.00 0.00 C ATOM 223 C VAL A 15 -6.838 2.890 -0.209 1.00 0.00 C ATOM 224 O VAL A 15 -5.619 2.911 -0.422 1.00 0.00 O ATOM 225 CB VAL A 15 -7.617 3.338 2.134 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.337 2.651 2.545 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.859 4.493 3.079 1.00 0.00 C ATOM 0 H VAL A 15 -9.547 3.941 0.580 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.833 4.756 0.796 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.449 2.635 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.439 2.269 3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.133 1.824 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.513 3.364 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.961 4.115 4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.018 5.184 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.773 5.013 2.791 1.00 0.00 H new ATOM 237 N LYS A 16 -7.644 2.031 -0.764 1.00 0.00 N ATOM 238 CA LYS A 16 -7.188 1.143 -1.761 1.00 0.00 C ATOM 239 C LYS A 16 -6.568 1.935 -2.880 1.00 0.00 C ATOM 240 O LYS A 16 -5.470 1.657 -3.279 1.00 0.00 O ATOM 241 CB LYS A 16 -8.328 0.264 -2.261 1.00 0.00 C ATOM 242 CG LYS A 16 -8.619 -0.947 -1.376 1.00 0.00 C ATOM 243 CD LYS A 16 -9.644 -1.891 -2.004 1.00 0.00 C ATOM 244 CE LYS A 16 -10.986 -1.215 -2.209 1.00 0.00 C ATOM 245 NZ LYS A 16 -11.969 -2.104 -2.848 1.00 0.00 N ATOM 0 H LYS A 16 -8.632 1.937 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.432 0.479 -1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.231 0.869 -2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.090 -0.083 -3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.692 -1.491 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.987 -0.607 -0.408 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.268 -2.249 -2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.772 -2.765 -1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.373 -0.882 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.851 -0.325 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.869 -1.597 -2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.614 -2.402 -3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.119 -2.942 -2.250 1.00 0.00 H new ATOM 259 N GLU A 17 -7.241 2.949 -3.325 1.00 0.00 N ATOM 260 CA GLU A 17 -6.688 3.811 -4.322 1.00 0.00 C ATOM 261 C GLU A 17 -5.450 4.611 -3.885 1.00 0.00 C ATOM 262 O GLU A 17 -4.630 4.953 -4.732 1.00 0.00 O ATOM 263 CB GLU A 17 -7.737 4.641 -5.008 1.00 0.00 C ATOM 264 CG GLU A 17 -8.572 3.790 -5.933 1.00 0.00 C ATOM 265 CD GLU A 17 -9.680 4.527 -6.584 1.00 0.00 C ATOM 266 OE1 GLU A 17 -9.495 5.676 -7.002 1.00 0.00 O ATOM 267 OE2 GLU A 17 -10.774 3.955 -6.718 1.00 0.00 O ATOM 0 H GLU A 17 -8.179 3.201 -3.012 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.286 3.136 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.378 5.114 -4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.261 5.442 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.927 3.367 -6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.986 2.954 -5.369 1.00 0.00 H new ATOM 274 N GLN A 18 -5.266 4.874 -2.564 1.00 0.00 N ATOM 275 CA GLN A 18 -4.082 5.599 -2.121 1.00 0.00 C ATOM 276 C GLN A 18 -2.903 4.692 -2.283 1.00 0.00 C ATOM 277 O GLN A 18 -1.902 5.030 -2.913 1.00 0.00 O ATOM 278 CB GLN A 18 -4.224 6.230 -0.702 1.00 0.00 C ATOM 279 CG GLN A 18 -4.059 5.314 0.490 1.00 0.00 C ATOM 280 CD GLN A 18 -4.234 6.034 1.821 1.00 0.00 C ATOM 281 OE1 GLN A 18 -4.677 5.453 2.797 1.00 0.00 O ATOM 282 NE2 GLN A 18 -3.885 7.294 1.869 1.00 0.00 N ATOM 0 H GLN A 18 -5.909 4.599 -1.821 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.937 6.479 -2.748 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.489 7.031 -0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.209 6.693 -0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.786 4.504 0.423 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.070 4.858 0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.517 7.753 1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.981 7.817 2.740 1.00 0.00 H new ATOM 291 N LEU A 19 -3.078 3.519 -1.767 1.00 0.00 N ATOM 292 CA LEU A 19 -2.104 2.484 -1.776 1.00 0.00 C ATOM 293 C LEU A 19 -1.793 2.028 -3.180 1.00 0.00 C ATOM 294 O LEU A 19 -0.630 1.850 -3.538 1.00 0.00 O ATOM 295 CB LEU A 19 -2.639 1.357 -0.953 1.00 0.00 C ATOM 296 CG LEU A 19 -2.428 1.450 0.553 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.237 0.393 1.253 1.00 0.00 C ATOM 298 CD2 LEU A 19 -0.953 1.292 0.898 1.00 0.00 C ATOM 0 H LEU A 19 -3.946 3.247 -1.307 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.167 2.851 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.709 1.275 -1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.182 0.432 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.759 2.433 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.080 0.467 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.294 0.537 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.924 -0.593 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.822 1.361 1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.600 0.321 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.379 2.081 0.412 1.00 0.00 H new ATOM 310 N THR A 20 -2.827 1.911 -3.978 1.00 0.00 N ATOM 311 CA THR A 20 -2.689 1.529 -5.351 1.00 0.00 C ATOM 312 C THR A 20 -1.840 2.527 -6.094 1.00 0.00 C ATOM 313 O THR A 20 -0.838 2.153 -6.669 1.00 0.00 O ATOM 314 CB THR A 20 -4.071 1.368 -6.024 1.00 0.00 C ATOM 315 OG1 THR A 20 -4.699 0.166 -5.568 1.00 0.00 O ATOM 316 CG2 THR A 20 -3.994 1.409 -7.550 1.00 0.00 C ATOM 0 H THR A 20 -3.790 2.080 -3.686 1.00 0.00 H new ATOM 0 HA THR A 20 -2.188 0.561 -5.386 1.00 0.00 H new ATOM 0 HB THR A 20 -4.680 2.223 -5.730 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.525 0.049 -4.611 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.994 1.291 -7.968 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.578 2.365 -7.868 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.355 0.600 -7.904 1.00 0.00 H new ATOM 324 N GLU A 21 -2.173 3.796 -5.971 1.00 0.00 N ATOM 325 CA GLU A 21 -1.489 4.861 -6.686 1.00 0.00 C ATOM 326 C GLU A 21 -0.014 4.875 -6.291 1.00 0.00 C ATOM 327 O GLU A 21 0.875 4.931 -7.143 1.00 0.00 O ATOM 328 CB GLU A 21 -2.163 6.170 -6.307 1.00 0.00 C ATOM 329 CG GLU A 21 -1.609 7.434 -6.955 1.00 0.00 C ATOM 330 CD GLU A 21 -1.951 7.557 -8.417 1.00 0.00 C ATOM 331 OE1 GLU A 21 -3.108 7.854 -8.739 1.00 0.00 O ATOM 332 OE2 GLU A 21 -1.058 7.414 -9.264 1.00 0.00 O ATOM 0 H GLU A 21 -2.930 4.122 -5.370 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.545 4.713 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.221 6.094 -6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.099 6.286 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.996 8.304 -6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.525 7.447 -6.841 1.00 0.00 H new ATOM 339 N SER A 22 0.203 4.748 -5.002 1.00 0.00 N ATOM 340 CA SER A 22 1.532 4.754 -4.405 1.00 0.00 C ATOM 341 C SER A 22 2.361 3.574 -4.931 1.00 0.00 C ATOM 342 O SER A 22 3.487 3.750 -5.414 1.00 0.00 O ATOM 343 CB SER A 22 1.415 4.701 -2.871 1.00 0.00 C ATOM 344 OG SER A 22 0.592 5.764 -2.384 1.00 0.00 O ATOM 0 H SER A 22 -0.548 4.635 -4.321 1.00 0.00 H new ATOM 0 HA SER A 22 2.043 5.675 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.995 3.742 -2.567 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.407 4.770 -2.424 1.00 0.00 H new ATOM 0 HG SER A 22 -0.349 5.559 -2.567 1.00 0.00 H new ATOM 350 N GLY A 23 1.772 2.384 -4.891 1.00 0.00 N ATOM 351 CA GLY A 23 2.420 1.185 -5.369 1.00 0.00 C ATOM 352 C GLY A 23 2.701 1.238 -6.846 1.00 0.00 C ATOM 353 O GLY A 23 3.709 0.744 -7.300 1.00 0.00 O ATOM 0 H GLY A 23 0.832 2.232 -4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.355 1.040 -4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.789 0.323 -5.152 1.00 0.00 H new ATOM 357 N LYS A 24 1.792 1.860 -7.578 1.00 0.00 N ATOM 358 CA LYS A 24 1.923 2.021 -9.025 1.00 0.00 C ATOM 359 C LYS A 24 3.112 2.895 -9.378 1.00 0.00 C ATOM 360 O LYS A 24 3.726 2.725 -10.420 1.00 0.00 O ATOM 361 CB LYS A 24 0.652 2.611 -9.604 1.00 0.00 C ATOM 362 CG LYS A 24 -0.575 1.700 -9.509 1.00 0.00 C ATOM 363 CD LYS A 24 -0.632 0.598 -10.575 1.00 0.00 C ATOM 364 CE LYS A 24 -0.753 1.178 -11.978 1.00 0.00 C ATOM 365 NZ LYS A 24 -0.945 0.152 -13.027 1.00 0.00 N ATOM 0 H LYS A 24 0.942 2.269 -7.191 1.00 0.00 H new ATOM 0 HA LYS A 24 2.089 1.035 -9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.434 3.547 -9.089 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.826 2.857 -10.652 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.592 1.236 -8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.473 2.312 -9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.266 -0.017 -10.511 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.481 -0.056 -10.377 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.592 1.874 -12.004 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.145 1.753 -12.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.401 0.415 -13.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.614 -0.769 -12.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.954 0.088 -13.270 1.00 0.00 H new ATOM 379 N LYS A 25 3.425 3.840 -8.509 1.00 0.00 N ATOM 380 CA LYS A 25 4.559 4.724 -8.701 1.00 0.00 C ATOM 381 C LYS A 25 5.842 3.990 -8.427 1.00 0.00 C ATOM 382 O LYS A 25 6.824 4.110 -9.157 1.00 0.00 O ATOM 383 CB LYS A 25 4.482 5.907 -7.736 1.00 0.00 C ATOM 384 CG LYS A 25 3.218 6.719 -7.838 1.00 0.00 C ATOM 385 CD LYS A 25 3.257 7.954 -6.959 1.00 0.00 C ATOM 386 CE LYS A 25 4.250 8.990 -7.489 1.00 0.00 C ATOM 387 NZ LYS A 25 3.935 9.396 -8.887 1.00 0.00 N ATOM 0 H LYS A 25 2.901 4.015 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 25 4.536 5.077 -9.732 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.577 5.534 -6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.334 6.562 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.063 7.018 -8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.367 6.100 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.262 8.396 -6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.533 7.670 -5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.237 9.869 -6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.259 8.580 -7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.067 10.423 -8.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.569 8.899 -9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.948 9.150 -9.106 1.00 0.00 H new ATOM 401 N ARG A 26 5.817 3.232 -7.368 1.00 0.00 N ATOM 402 CA ARG A 26 7.003 2.567 -6.884 1.00 0.00 C ATOM 403 C ARG A 26 7.320 1.334 -7.700 1.00 0.00 C ATOM 404 O ARG A 26 8.438 1.129 -8.175 1.00 0.00 O ATOM 405 CB ARG A 26 6.830 2.155 -5.423 1.00 0.00 C ATOM 406 CG ARG A 26 6.508 3.284 -4.471 1.00 0.00 C ATOM 407 CD ARG A 26 6.334 2.760 -3.059 1.00 0.00 C ATOM 408 NE ARG A 26 7.582 2.254 -2.480 1.00 0.00 N ATOM 409 CZ ARG A 26 7.667 1.528 -1.365 1.00 0.00 C ATOM 410 NH1 ARG A 26 6.564 1.160 -0.733 1.00 0.00 N ATOM 411 NH2 ARG A 26 8.861 1.185 -0.892 1.00 0.00 N ATOM 0 H ARG A 26 4.979 3.055 -6.814 1.00 0.00 H new ATOM 0 HA ARG A 26 7.826 3.276 -6.976 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.034 1.412 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.746 1.669 -5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.307 4.025 -4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.597 3.789 -4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.943 3.557 -2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.591 1.962 -3.062 1.00 0.00 H new ATOM 0 HE ARG A 26 8.451 2.474 -2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.652 1.432 -1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.626 0.605 0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.707 1.477 -1.382 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.931 0.630 -0.039 1.00 0.00 H new ATOM 425 N GLY A 27 6.290 0.554 -7.891 1.00 0.00 N ATOM 426 CA GLY A 27 6.382 -0.720 -8.511 1.00 0.00 C ATOM 427 C GLY A 27 6.373 -1.764 -7.448 1.00 0.00 C ATOM 428 O GLY A 27 6.575 -2.954 -7.716 1.00 0.00 O ATOM 0 H GLY A 27 5.342 0.804 -7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.547 -0.869 -9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.295 -0.789 -9.102 1.00 0.00 H new ATOM 432 N VAL A 28 6.090 -1.321 -6.225 1.00 0.00 N ATOM 433 CA VAL A 28 6.174 -2.163 -5.079 1.00 0.00 C ATOM 434 C VAL A 28 5.459 -1.542 -3.884 1.00 0.00 C ATOM 435 O VAL A 28 5.231 -0.328 -3.841 1.00 0.00 O ATOM 436 CB VAL A 28 7.656 -2.395 -4.727 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.320 -1.165 -4.141 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.835 -3.579 -3.864 1.00 0.00 C ATOM 0 H VAL A 28 5.798 -0.365 -6.022 1.00 0.00 H new ATOM 0 HA VAL A 28 5.689 -3.111 -5.311 1.00 0.00 H new ATOM 0 HB VAL A 28 8.166 -2.598 -5.669 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.362 -1.388 -3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.273 -0.348 -4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.803 -0.873 -3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.894 -3.708 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.281 -3.440 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.463 -4.465 -4.379 1.00 0.00 H new ATOM 448 N LEU A 29 5.073 -2.396 -2.974 1.00 0.00 N ATOM 449 CA LEU A 29 4.491 -2.046 -1.706 1.00 0.00 C ATOM 450 C LEU A 29 4.806 -3.156 -0.722 1.00 0.00 C ATOM 451 O LEU A 29 4.733 -4.312 -1.084 1.00 0.00 O ATOM 452 CB LEU A 29 2.967 -1.934 -1.811 1.00 0.00 C ATOM 453 CG LEU A 29 2.367 -0.709 -2.494 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.865 -0.867 -2.598 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.686 0.552 -1.717 1.00 0.00 C ATOM 0 H LEU A 29 5.160 -3.404 -3.103 1.00 0.00 H new ATOM 0 HA LEU A 29 4.898 -1.087 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.607 -2.817 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.562 -1.980 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 29 2.801 -0.625 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.440 0.010 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.632 -1.757 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.440 -0.968 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.248 1.412 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.273 0.474 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.767 0.679 -1.657 1.00 0.00 H new ATOM 467 N THR A 30 5.216 -2.821 0.472 1.00 0.00 N ATOM 468 CA THR A 30 5.370 -3.825 1.508 1.00 0.00 C ATOM 469 C THR A 30 3.989 -4.212 2.040 1.00 0.00 C ATOM 470 O THR A 30 3.104 -3.357 2.125 1.00 0.00 O ATOM 471 CB THR A 30 6.239 -3.330 2.697 1.00 0.00 C ATOM 472 OG1 THR A 30 5.774 -2.082 3.205 1.00 0.00 O ATOM 473 CG2 THR A 30 7.697 -3.231 2.336 1.00 0.00 C ATOM 0 H THR A 30 5.450 -1.870 0.757 1.00 0.00 H new ATOM 0 HA THR A 30 5.877 -4.679 1.058 1.00 0.00 H new ATOM 0 HB THR A 30 6.139 -4.082 3.480 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.943 -1.377 2.546 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.263 -2.881 3.199 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.065 -4.212 2.035 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.821 -2.528 1.512 1.00 0.00 H new ATOM 481 N TYR A 31 3.799 -5.477 2.399 1.00 0.00 N ATOM 482 CA TYR A 31 2.509 -5.946 2.952 1.00 0.00 C ATOM 483 C TYR A 31 2.117 -5.130 4.174 1.00 0.00 C ATOM 484 O TYR A 31 0.952 -4.775 4.369 1.00 0.00 O ATOM 485 CB TYR A 31 2.561 -7.428 3.365 1.00 0.00 C ATOM 486 CG TYR A 31 2.715 -8.425 2.240 1.00 0.00 C ATOM 487 CD1 TYR A 31 3.882 -9.150 2.088 1.00 0.00 C ATOM 488 CD2 TYR A 31 1.686 -8.650 1.343 1.00 0.00 C ATOM 489 CE1 TYR A 31 4.022 -10.070 1.071 1.00 0.00 C ATOM 490 CE2 TYR A 31 1.814 -9.565 0.322 1.00 0.00 C ATOM 491 CZ TYR A 31 2.983 -10.272 0.190 1.00 0.00 C ATOM 492 OH TYR A 31 3.113 -11.188 -0.829 1.00 0.00 O ATOM 0 H TYR A 31 4.512 -6.203 2.322 1.00 0.00 H new ATOM 0 HA TYR A 31 1.772 -5.822 2.158 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.391 -7.562 4.059 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.648 -7.665 3.911 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.698 -8.993 2.778 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.764 -8.097 1.446 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.940 -10.629 0.966 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.000 -9.725 -0.370 1.00 0.00 H new ATOM 0 HH TYR A 31 2.288 -11.208 -1.358 1.00 0.00 H new ATOM 502 N GLU A 32 3.110 -4.784 4.954 1.00 0.00 N ATOM 503 CA GLU A 32 2.900 -4.095 6.194 1.00 0.00 C ATOM 504 C GLU A 32 2.478 -2.630 6.031 1.00 0.00 C ATOM 505 O GLU A 32 1.731 -2.116 6.865 1.00 0.00 O ATOM 506 CB GLU A 32 4.095 -4.287 7.113 1.00 0.00 C ATOM 507 CG GLU A 32 4.296 -5.758 7.442 1.00 0.00 C ATOM 508 CD GLU A 32 5.421 -6.036 8.388 1.00 0.00 C ATOM 509 OE1 GLU A 32 5.284 -5.732 9.595 1.00 0.00 O ATOM 510 OE2 GLU A 32 6.424 -6.642 7.974 1.00 0.00 O ATOM 0 H GLU A 32 4.089 -4.975 4.742 1.00 0.00 H new ATOM 0 HA GLU A 32 2.036 -4.553 6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.992 -3.891 6.637 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.946 -3.722 8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.373 -6.151 7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.475 -6.303 6.515 1.00 0.00 H new ATOM 517 N GLU A 33 2.881 -1.969 4.948 1.00 0.00 N ATOM 518 CA GLU A 33 2.454 -0.582 4.747 1.00 0.00 C ATOM 519 C GLU A 33 1.030 -0.590 4.209 1.00 0.00 C ATOM 520 O GLU A 33 0.231 0.307 4.486 1.00 0.00 O ATOM 521 CB GLU A 33 3.404 0.192 3.813 1.00 0.00 C ATOM 522 CG GLU A 33 3.378 -0.256 2.367 1.00 0.00 C ATOM 523 CD GLU A 33 4.446 0.387 1.538 1.00 0.00 C ATOM 524 OE1 GLU A 33 5.528 -0.237 1.361 1.00 0.00 O ATOM 525 OE2 GLU A 33 4.246 1.498 1.038 1.00 0.00 O ATOM 0 H GLU A 33 3.482 -2.352 4.218 1.00 0.00 H new ATOM 0 HA GLU A 33 2.486 -0.059 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.149 1.251 3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.422 0.094 4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.496 -1.339 2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.403 -0.024 1.938 1.00 0.00 H new ATOM 532 N ILE A 34 0.710 -1.667 3.495 1.00 0.00 N ATOM 533 CA ILE A 34 -0.606 -1.880 2.943 1.00 0.00 C ATOM 534 C ILE A 34 -1.600 -2.071 4.066 1.00 0.00 C ATOM 535 O ILE A 34 -2.684 -1.481 4.064 1.00 0.00 O ATOM 536 CB ILE A 34 -0.629 -3.096 1.990 1.00 0.00 C ATOM 537 CG1 ILE A 34 0.325 -2.857 0.829 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.037 -3.347 1.479 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.472 -4.036 -0.099 1.00 0.00 C ATOM 0 H ILE A 34 1.370 -2.417 3.287 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.881 -1.001 2.359 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.305 -3.981 2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.025 -1.998 0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.306 -2.596 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.033 -4.207 0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.700 -3.546 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.390 -2.468 0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.168 -3.785 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.853 -4.892 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.499 -4.285 -0.528 1.00 0.00 H new ATOM 551 N ALA A 35 -1.202 -2.849 5.084 1.00 0.00 N ATOM 552 CA ALA A 35 -2.001 -3.111 6.253 1.00 0.00 C ATOM 553 C ALA A 35 -2.176 -1.855 7.073 1.00 0.00 C ATOM 554 O ALA A 35 -3.223 -1.636 7.688 1.00 0.00 O ATOM 555 CB ALA A 35 -1.371 -4.214 7.089 1.00 0.00 C ATOM 0 H ALA A 35 -0.295 -3.315 5.102 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.987 -3.444 5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.987 -4.400 7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.301 -5.126 6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.373 -3.908 7.403 1.00 0.00 H new ATOM 561 N GLU A 36 -1.147 -1.009 7.036 1.00 0.00 N ATOM 562 CA GLU A 36 -1.056 0.158 7.877 1.00 0.00 C ATOM 563 C GLU A 36 -2.169 1.151 7.609 1.00 0.00 C ATOM 564 O GLU A 36 -2.786 1.634 8.537 1.00 0.00 O ATOM 565 CB GLU A 36 0.326 0.807 7.774 1.00 0.00 C ATOM 566 CG GLU A 36 0.562 1.917 8.780 1.00 0.00 C ATOM 567 CD GLU A 36 1.958 2.466 8.720 1.00 0.00 C ATOM 568 OE1 GLU A 36 2.860 1.888 9.345 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.178 3.505 8.069 1.00 0.00 O ATOM 0 H GLU A 36 -0.350 -1.126 6.410 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.187 -0.177 8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.088 0.039 7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.454 1.208 6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.149 2.723 8.599 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.367 1.539 9.784 1.00 0.00 H new ATOM 576 N ARG A 37 -2.474 1.414 6.335 1.00 0.00 N ATOM 577 CA ARG A 37 -3.559 2.354 6.001 1.00 0.00 C ATOM 578 C ARG A 37 -4.905 1.736 6.338 1.00 0.00 C ATOM 579 O ARG A 37 -5.877 2.431 6.656 1.00 0.00 O ATOM 580 CB ARG A 37 -3.556 2.702 4.508 1.00 0.00 C ATOM 581 CG ARG A 37 -2.256 3.243 3.969 1.00 0.00 C ATOM 582 CD ARG A 37 -1.828 4.510 4.673 1.00 0.00 C ATOM 583 NE ARG A 37 -0.500 4.923 4.229 1.00 0.00 N ATOM 584 CZ ARG A 37 0.616 4.803 4.958 1.00 0.00 C ATOM 585 NH1 ARG A 37 0.539 4.445 6.240 1.00 0.00 N ATOM 586 NH2 ARG A 37 1.795 5.087 4.419 1.00 0.00 N ATOM 0 H ARG A 37 -2.000 1.002 5.531 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.395 3.261 6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.818 1.807 3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.340 3.437 4.323 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.477 2.488 4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.361 3.440 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.547 5.304 4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.823 4.349 5.751 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.417 5.332 3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.370 4.263 6.665 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.389 4.353 6.796 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.851 5.397 3.449 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.645 4.995 4.975 1.00 0.00 H new ATOM 600 N MET A 38 -4.942 0.421 6.340 1.00 0.00 N ATOM 601 CA MET A 38 -6.182 -0.307 6.549 1.00 0.00 C ATOM 602 C MET A 38 -6.523 -0.435 8.018 1.00 0.00 C ATOM 603 O MET A 38 -7.547 -0.996 8.353 1.00 0.00 O ATOM 604 CB MET A 38 -6.140 -1.701 5.909 1.00 0.00 C ATOM 605 CG MET A 38 -5.909 -1.700 4.412 1.00 0.00 C ATOM 606 SD MET A 38 -7.186 -0.820 3.510 1.00 0.00 S ATOM 607 CE MET A 38 -6.634 -1.090 1.829 1.00 0.00 C ATOM 0 H MET A 38 -4.124 -0.172 6.199 1.00 0.00 H new ATOM 0 HA MET A 38 -6.962 0.278 6.062 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.350 -2.281 6.385 1.00 0.00 H new ATOM 0 HB3 MET A 38 -7.080 -2.211 6.118 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.942 -1.245 4.199 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.863 -2.729 4.056 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.904 -0.231 1.215 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.552 -1.218 1.818 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.110 -1.985 1.429 1.00 0.00 H new ATOM 617 N SER A 39 -5.695 0.135 8.894 1.00 0.00 N ATOM 618 CA SER A 39 -5.975 0.112 10.331 1.00 0.00 C ATOM 619 C SER A 39 -7.148 1.054 10.647 1.00 0.00 C ATOM 620 O SER A 39 -7.737 1.025 11.729 1.00 0.00 O ATOM 621 CB SER A 39 -4.721 0.497 11.129 1.00 0.00 C ATOM 622 OG SER A 39 -4.219 1.762 10.714 1.00 0.00 O ATOM 0 H SER A 39 -4.832 0.615 8.637 1.00 0.00 H new ATOM 0 HA SER A 39 -6.257 -0.899 10.626 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.958 0.527 12.193 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.953 -0.265 10.995 1.00 0.00 H new ATOM 0 HG SER A 39 -3.466 1.630 10.101 1.00 0.00 H new ATOM 628 N SER A 40 -7.467 1.891 9.676 1.00 0.00 N ATOM 629 CA SER A 40 -8.585 2.783 9.740 1.00 0.00 C ATOM 630 C SER A 40 -9.895 1.953 9.724 1.00 0.00 C ATOM 631 O SER A 40 -10.912 2.339 10.307 1.00 0.00 O ATOM 632 CB SER A 40 -8.518 3.694 8.516 1.00 0.00 C ATOM 633 OG SER A 40 -7.184 4.186 8.332 1.00 0.00 O ATOM 0 H SER A 40 -6.938 1.962 8.807 1.00 0.00 H new ATOM 0 HA SER A 40 -8.564 3.381 10.651 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.836 3.146 7.629 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.207 4.530 8.638 1.00 0.00 H new ATOM 0 HG SER A 40 -6.676 3.556 7.779 1.00 0.00 H new ATOM 639 N PHE A 41 -9.828 0.805 9.069 1.00 0.00 N ATOM 640 CA PHE A 41 -10.954 -0.103 8.903 1.00 0.00 C ATOM 641 C PHE A 41 -10.641 -1.417 9.623 1.00 0.00 C ATOM 642 O PHE A 41 -9.644 -1.521 10.336 1.00 0.00 O ATOM 643 CB PHE A 41 -11.109 -0.396 7.400 1.00 0.00 C ATOM 644 CG PHE A 41 -10.949 0.818 6.553 1.00 0.00 C ATOM 645 CD1 PHE A 41 -9.792 0.990 5.823 1.00 0.00 C ATOM 646 CD2 PHE A 41 -11.912 1.808 6.529 1.00 0.00 C ATOM 647 CE1 PHE A 41 -9.589 2.116 5.091 1.00 0.00 C ATOM 648 CE2 PHE A 41 -11.717 2.943 5.780 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.549 3.095 5.065 1.00 0.00 C ATOM 0 H PHE A 41 -8.971 0.470 8.628 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.864 0.338 9.310 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.371 -1.140 7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -12.092 -0.832 7.219 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.036 0.218 5.833 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.821 1.689 7.101 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.674 2.240 4.531 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.475 3.712 5.752 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.389 3.989 4.481 1.00 0.00 H new ATOM 659 N GLU A 42 -11.488 -2.400 9.434 1.00 0.00 N ATOM 660 CA GLU A 42 -11.246 -3.735 9.920 1.00 0.00 C ATOM 661 C GLU A 42 -11.165 -4.627 8.712 1.00 0.00 C ATOM 662 O GLU A 42 -12.177 -5.177 8.261 1.00 0.00 O ATOM 663 CB GLU A 42 -12.353 -4.234 10.851 1.00 0.00 C ATOM 664 CG GLU A 42 -12.523 -3.449 12.133 1.00 0.00 C ATOM 665 CD GLU A 42 -13.560 -4.079 13.028 1.00 0.00 C ATOM 666 OE1 GLU A 42 -13.207 -4.956 13.851 1.00 0.00 O ATOM 667 OE2 GLU A 42 -14.757 -3.739 12.900 1.00 0.00 O ATOM 0 H GLU A 42 -12.371 -2.294 8.935 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.326 -3.743 10.504 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.297 -4.218 10.307 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.149 -5.274 11.106 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.570 -3.396 12.659 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.815 -2.425 11.899 1.00 0.00 H new ATOM 674 N ILE A 43 -10.012 -4.681 8.118 1.00 0.00 N ATOM 675 CA ILE A 43 -9.832 -5.432 6.907 1.00 0.00 C ATOM 676 C ILE A 43 -9.292 -6.800 7.219 1.00 0.00 C ATOM 677 O ILE A 43 -8.275 -6.965 7.897 1.00 0.00 O ATOM 678 CB ILE A 43 -8.933 -4.670 5.912 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.525 -3.298 5.658 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.748 -5.421 4.605 1.00 0.00 C ATOM 681 CD1 ILE A 43 -10.929 -3.345 5.110 1.00 0.00 C ATOM 0 H ILE A 43 -9.172 -4.210 8.454 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.802 -5.559 6.426 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.943 -4.573 6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.525 -2.732 6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.887 -2.759 4.958 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.107 -4.842 3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.285 -6.388 4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.718 -5.573 4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.292 -2.329 4.951 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.932 -3.883 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.580 -3.856 5.820 1.00 0.00 H new ATOM 693 N GLU A 44 -10.005 -7.757 6.739 1.00 0.00 N ATOM 694 CA GLU A 44 -9.746 -9.157 6.970 1.00 0.00 C ATOM 695 C GLU A 44 -8.608 -9.650 6.077 1.00 0.00 C ATOM 696 O GLU A 44 -8.211 -8.957 5.126 1.00 0.00 O ATOM 697 CB GLU A 44 -11.031 -9.911 6.684 1.00 0.00 C ATOM 698 CG GLU A 44 -12.192 -9.365 7.487 1.00 0.00 C ATOM 699 CD GLU A 44 -13.527 -9.767 6.947 1.00 0.00 C ATOM 700 OE1 GLU A 44 -14.016 -10.854 7.274 1.00 0.00 O ATOM 701 OE2 GLU A 44 -14.122 -8.983 6.192 1.00 0.00 O ATOM 0 H GLU A 44 -10.821 -7.592 6.149 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.434 -9.324 8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.262 -9.846 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.893 -10.967 6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.106 -9.710 8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.130 -8.277 7.509 1.00 0.00 H new ATOM 708 N SER A 45 -8.118 -10.840 6.352 1.00 0.00 N ATOM 709 CA SER A 45 -7.006 -11.407 5.621 1.00 0.00 C ATOM 710 C SER A 45 -7.423 -11.698 4.178 1.00 0.00 C ATOM 711 O SER A 45 -6.652 -11.487 3.247 1.00 0.00 O ATOM 712 CB SER A 45 -6.486 -12.681 6.328 1.00 0.00 C ATOM 713 OG SER A 45 -5.286 -13.167 5.734 1.00 0.00 O ATOM 0 H SER A 45 -8.481 -11.443 7.091 1.00 0.00 H new ATOM 0 HA SER A 45 -6.189 -10.686 5.599 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.308 -12.464 7.381 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.251 -13.456 6.287 1.00 0.00 H new ATOM 0 HG SER A 45 -4.988 -13.971 6.209 1.00 0.00 H new ATOM 719 N ASP A 46 -8.681 -12.085 3.990 1.00 0.00 N ATOM 720 CA ASP A 46 -9.181 -12.401 2.647 1.00 0.00 C ATOM 721 C ASP A 46 -9.328 -11.140 1.860 1.00 0.00 C ATOM 722 O ASP A 46 -9.029 -11.082 0.673 1.00 0.00 O ATOM 723 CB ASP A 46 -10.511 -13.140 2.698 1.00 0.00 C ATOM 724 CG ASP A 46 -10.379 -14.557 3.174 1.00 0.00 C ATOM 725 OD1 ASP A 46 -10.590 -14.823 4.380 1.00 0.00 O ATOM 726 OD2 ASP A 46 -10.048 -15.437 2.347 1.00 0.00 O ATOM 0 H ASP A 46 -9.368 -12.188 4.737 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.458 -13.058 2.164 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.193 -12.603 3.358 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.960 -13.137 1.705 1.00 0.00 H new ATOM 731 N GLN A 47 -9.737 -10.123 2.559 1.00 0.00 N ATOM 732 CA GLN A 47 -9.913 -8.802 2.018 1.00 0.00 C ATOM 733 C GLN A 47 -8.559 -8.255 1.577 1.00 0.00 C ATOM 734 O GLN A 47 -8.425 -7.691 0.485 1.00 0.00 O ATOM 735 CB GLN A 47 -10.502 -7.944 3.105 1.00 0.00 C ATOM 736 CG GLN A 47 -11.865 -8.416 3.561 1.00 0.00 C ATOM 737 CD GLN A 47 -13.002 -7.887 2.715 1.00 0.00 C ATOM 738 OE1 GLN A 47 -12.865 -6.680 2.229 1.00 0.00 O flip ATOM 739 NE2 GLN A 47 -14.020 -8.545 2.548 1.00 0.00 N flip ATOM 0 H GLN A 47 -9.965 -10.189 3.551 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.575 -8.813 1.152 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.824 -7.933 3.958 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.581 -6.918 2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.887 -9.506 3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -12.019 -8.109 4.596 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.091 -9.483 2.942 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.797 -8.155 2.015 1.00 0.00 H new ATOM 748 N MET A 48 -7.557 -8.435 2.437 1.00 0.00 N ATOM 749 CA MET A 48 -6.198 -8.043 2.119 1.00 0.00 C ATOM 750 C MET A 48 -5.641 -8.827 0.944 1.00 0.00 C ATOM 751 O MET A 48 -5.081 -8.243 0.031 1.00 0.00 O ATOM 752 CB MET A 48 -5.243 -8.178 3.316 1.00 0.00 C ATOM 753 CG MET A 48 -5.288 -7.056 4.357 1.00 0.00 C ATOM 754 SD MET A 48 -4.388 -5.522 3.889 1.00 0.00 S ATOM 755 CE MET A 48 -5.296 -4.902 2.471 1.00 0.00 C ATOM 0 H MET A 48 -7.669 -8.852 3.361 1.00 0.00 H new ATOM 0 HA MET A 48 -6.259 -6.989 1.849 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.459 -9.120 3.820 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.225 -8.248 2.934 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.330 -6.803 4.551 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.872 -7.432 5.292 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.065 -3.847 2.324 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.010 -5.464 1.582 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.366 -5.018 2.645 1.00 0.00 H new ATOM 765 N ASP A 49 -5.806 -10.147 0.964 1.00 0.00 N ATOM 766 CA ASP A 49 -5.252 -11.019 -0.095 1.00 0.00 C ATOM 767 C ASP A 49 -5.853 -10.724 -1.439 1.00 0.00 C ATOM 768 O ASP A 49 -5.149 -10.723 -2.452 1.00 0.00 O ATOM 769 CB ASP A 49 -5.404 -12.502 0.239 1.00 0.00 C ATOM 770 CG ASP A 49 -4.723 -13.406 -0.781 1.00 0.00 C ATOM 771 OD1 ASP A 49 -5.421 -14.134 -1.525 1.00 0.00 O ATOM 772 OD2 ASP A 49 -3.482 -13.405 -0.866 1.00 0.00 O ATOM 0 H ASP A 49 -6.315 -10.645 1.694 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.187 -10.794 -0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.983 -12.693 1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.464 -12.752 0.290 1.00 0.00 H new ATOM 777 N GLU A 50 -7.138 -10.436 -1.456 1.00 0.00 N ATOM 778 CA GLU A 50 -7.807 -10.084 -2.687 1.00 0.00 C ATOM 779 C GLU A 50 -7.220 -8.771 -3.221 1.00 0.00 C ATOM 780 O GLU A 50 -7.006 -8.608 -4.428 1.00 0.00 O ATOM 781 CB GLU A 50 -9.312 -9.966 -2.469 1.00 0.00 C ATOM 782 CG GLU A 50 -10.113 -9.702 -3.732 1.00 0.00 C ATOM 783 CD GLU A 50 -11.583 -9.631 -3.454 1.00 0.00 C ATOM 784 OE1 GLU A 50 -12.131 -8.521 -3.333 1.00 0.00 O ATOM 785 OE2 GLU A 50 -12.219 -10.687 -3.311 1.00 0.00 O ATOM 0 H GLU A 50 -7.738 -10.439 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.646 -10.870 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.673 -10.887 -2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.501 -9.161 -1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.783 -8.766 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.918 -10.492 -4.458 1.00 0.00 H new ATOM 792 N TYR A 51 -6.886 -7.869 -2.295 1.00 0.00 N ATOM 793 CA TYR A 51 -6.273 -6.610 -2.650 1.00 0.00 C ATOM 794 C TYR A 51 -4.861 -6.874 -3.160 1.00 0.00 C ATOM 795 O TYR A 51 -4.408 -6.210 -4.088 1.00 0.00 O ATOM 796 CB TYR A 51 -6.290 -5.626 -1.480 1.00 0.00 C ATOM 797 CG TYR A 51 -5.745 -4.266 -1.834 1.00 0.00 C ATOM 798 CD1 TYR A 51 -6.189 -3.586 -2.968 1.00 0.00 C ATOM 799 CD2 TYR A 51 -4.789 -3.660 -1.042 1.00 0.00 C ATOM 800 CE1 TYR A 51 -5.679 -2.355 -3.292 1.00 0.00 C ATOM 801 CE2 TYR A 51 -4.283 -2.422 -1.365 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.731 -1.783 -2.489 1.00 0.00 C ATOM 803 OH TYR A 51 -4.202 -0.577 -2.829 1.00 0.00 O ATOM 0 H TYR A 51 -7.035 -7.998 -1.294 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.850 -6.138 -3.445 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.314 -5.517 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.707 -6.040 -0.658 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.943 -4.034 -3.598 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.434 -4.165 -0.156 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.024 -1.840 -4.176 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.538 -1.958 -0.736 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.848 0.132 -2.627 1.00 0.00 H new ATOM 813 N TYR A 52 -4.159 -7.843 -2.567 1.00 0.00 N ATOM 814 CA TYR A 52 -2.804 -8.190 -2.989 1.00 0.00 C ATOM 815 C TYR A 52 -2.804 -8.672 -4.417 1.00 0.00 C ATOM 816 O TYR A 52 -1.945 -8.292 -5.222 1.00 0.00 O ATOM 817 CB TYR A 52 -2.130 -9.223 -2.056 1.00 0.00 C ATOM 818 CG TYR A 52 -1.959 -8.746 -0.627 1.00 0.00 C ATOM 819 CD1 TYR A 52 -1.628 -7.431 -0.354 1.00 0.00 C ATOM 820 CD2 TYR A 52 -2.132 -9.608 0.448 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.488 -6.985 0.935 1.00 0.00 C ATOM 822 CE2 TYR A 52 -1.990 -9.168 1.747 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.673 -7.854 1.991 1.00 0.00 C ATOM 824 OH TYR A 52 -1.539 -7.404 3.295 1.00 0.00 O ATOM 0 H TYR A 52 -4.511 -8.402 -1.790 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.208 -7.280 -2.922 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.724 -10.137 -2.054 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.151 -9.479 -2.462 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.477 -6.742 -1.172 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.382 -10.642 0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.233 -5.953 1.124 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.128 -9.854 2.570 1.00 0.00 H new ATOM 0 HH TYR A 52 -2.317 -6.858 3.534 1.00 0.00 H new ATOM 834 N GLU A 53 -3.787 -9.490 -4.741 1.00 0.00 N ATOM 835 CA GLU A 53 -3.968 -9.966 -6.086 1.00 0.00 C ATOM 836 C GLU A 53 -4.290 -8.783 -7.002 1.00 0.00 C ATOM 837 O GLU A 53 -3.681 -8.628 -8.045 1.00 0.00 O ATOM 838 CB GLU A 53 -5.102 -10.986 -6.115 1.00 0.00 C ATOM 839 CG GLU A 53 -5.342 -11.630 -7.465 1.00 0.00 C ATOM 840 CD GLU A 53 -4.175 -12.453 -7.934 1.00 0.00 C ATOM 841 OE1 GLU A 53 -4.089 -13.642 -7.577 1.00 0.00 O ATOM 842 OE2 GLU A 53 -3.342 -11.945 -8.702 1.00 0.00 O ATOM 0 H GLU A 53 -4.478 -9.839 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.054 -10.446 -6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.887 -11.769 -5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.021 -10.496 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.228 -12.263 -7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.552 -10.854 -8.201 1.00 0.00 H new ATOM 849 N PHE A 54 -5.202 -7.918 -6.549 1.00 0.00 N ATOM 850 CA PHE A 54 -5.607 -6.736 -7.297 1.00 0.00 C ATOM 851 C PHE A 54 -4.397 -5.860 -7.651 1.00 0.00 C ATOM 852 O PHE A 54 -4.214 -5.479 -8.810 1.00 0.00 O ATOM 853 CB PHE A 54 -6.651 -5.943 -6.491 1.00 0.00 C ATOM 854 CG PHE A 54 -6.903 -4.567 -7.013 1.00 0.00 C ATOM 855 CD1 PHE A 54 -7.774 -4.341 -8.058 1.00 0.00 C ATOM 856 CD2 PHE A 54 -6.241 -3.500 -6.454 1.00 0.00 C ATOM 857 CE1 PHE A 54 -7.968 -3.061 -8.532 1.00 0.00 C ATOM 858 CE2 PHE A 54 -6.428 -2.233 -6.914 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.286 -2.007 -7.949 1.00 0.00 C ATOM 0 H PHE A 54 -5.677 -8.022 -5.653 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.059 -7.055 -8.236 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.590 -6.497 -6.488 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.319 -5.873 -5.455 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.305 -5.168 -8.506 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.559 -3.670 -5.634 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.647 -2.882 -9.352 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.898 -1.409 -6.460 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.434 -1.002 -8.315 1.00 0.00 H new ATOM 869 N LEU A 55 -3.591 -5.545 -6.649 1.00 0.00 N ATOM 870 CA LEU A 55 -2.378 -4.752 -6.828 1.00 0.00 C ATOM 871 C LEU A 55 -1.437 -5.390 -7.835 1.00 0.00 C ATOM 872 O LEU A 55 -0.847 -4.708 -8.685 1.00 0.00 O ATOM 873 CB LEU A 55 -1.665 -4.553 -5.504 1.00 0.00 C ATOM 874 CG LEU A 55 -2.344 -3.622 -4.521 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.651 -3.697 -3.182 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.301 -2.195 -5.047 1.00 0.00 C ATOM 0 H LEU A 55 -3.758 -5.832 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.681 -3.780 -7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.544 -5.526 -5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.665 -4.170 -5.706 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.384 -3.926 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.144 -3.025 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.700 -4.718 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.608 -3.402 -3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.791 -1.530 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.264 -1.886 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.818 -2.145 -6.006 1.00 0.00 H new ATOM 888 N GLY A 56 -1.324 -6.705 -7.716 1.00 0.00 N ATOM 889 CA GLY A 56 -0.502 -7.482 -8.623 1.00 0.00 C ATOM 890 C GLY A 56 -0.996 -7.363 -10.038 1.00 0.00 C ATOM 891 O GLY A 56 -0.199 -7.205 -10.968 1.00 0.00 O ATOM 0 H GLY A 56 -1.794 -7.255 -6.997 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.531 -7.140 -8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.509 -8.529 -8.319 1.00 0.00 H new ATOM 895 N GLU A 57 -2.312 -7.390 -10.197 1.00 0.00 N ATOM 896 CA GLU A 57 -2.937 -7.249 -11.472 1.00 0.00 C ATOM 897 C GLU A 57 -2.645 -5.873 -12.077 1.00 0.00 C ATOM 898 O GLU A 57 -2.490 -5.737 -13.292 1.00 0.00 O ATOM 899 CB GLU A 57 -4.449 -7.444 -11.343 1.00 0.00 C ATOM 900 CG GLU A 57 -4.895 -8.828 -10.876 1.00 0.00 C ATOM 901 CD GLU A 57 -6.403 -8.980 -10.877 1.00 0.00 C ATOM 902 OE1 GLU A 57 -7.045 -8.917 -9.798 1.00 0.00 O ATOM 903 OE2 GLU A 57 -6.981 -9.152 -11.971 1.00 0.00 O ATOM 0 H GLU A 57 -2.968 -7.513 -9.426 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.529 -8.013 -12.134 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.835 -6.702 -10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.908 -7.241 -12.310 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.456 -9.586 -11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.515 -9.009 -9.871 1.00 0.00 H new ATOM 910 N GLN A 58 -2.561 -4.841 -11.217 1.00 0.00 N ATOM 911 CA GLN A 58 -2.333 -3.477 -11.680 1.00 0.00 C ATOM 912 C GLN A 58 -0.856 -3.275 -12.025 1.00 0.00 C ATOM 913 O GLN A 58 -0.534 -2.714 -13.062 1.00 0.00 O ATOM 914 CB GLN A 58 -2.747 -2.448 -10.614 1.00 0.00 C ATOM 915 CG GLN A 58 -4.166 -2.594 -10.072 1.00 0.00 C ATOM 916 CD GLN A 58 -5.224 -2.653 -11.152 1.00 0.00 C ATOM 917 OE1 GLN A 58 -5.736 -1.633 -11.589 1.00 0.00 O ATOM 918 NE2 GLN A 58 -5.599 -3.845 -11.535 1.00 0.00 N ATOM 0 H GLN A 58 -2.648 -4.934 -10.205 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.945 -3.325 -12.569 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.050 -2.516 -9.779 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.640 -1.450 -11.038 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.224 -3.500 -9.468 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.381 -1.755 -9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.146 -4.672 -11.146 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.345 -3.948 -12.223 1.00 0.00 H new ATOM 927 N GLY A 59 0.014 -3.667 -11.141 1.00 0.00 N ATOM 928 CA GLY A 59 1.430 -3.578 -11.416 1.00 0.00 C ATOM 929 C GLY A 59 2.207 -3.144 -10.207 1.00 0.00 C ATOM 930 O GLY A 59 2.918 -2.133 -10.233 1.00 0.00 O ATOM 0 H GLY A 59 -0.224 -4.050 -10.226 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.796 -4.547 -11.755 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.599 -2.872 -12.229 1.00 0.00 H new ATOM 934 N VAL A 60 2.034 -3.868 -9.131 1.00 0.00 N ATOM 935 CA VAL A 60 2.710 -3.593 -7.882 1.00 0.00 C ATOM 936 C VAL A 60 3.154 -4.914 -7.297 1.00 0.00 C ATOM 937 O VAL A 60 2.386 -5.868 -7.292 1.00 0.00 O ATOM 938 CB VAL A 60 1.755 -2.917 -6.851 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.503 -2.526 -5.600 1.00 0.00 C ATOM 940 CG2 VAL A 60 1.014 -1.721 -7.437 1.00 0.00 C ATOM 0 H VAL A 60 1.413 -4.676 -9.094 1.00 0.00 H new ATOM 0 HA VAL A 60 3.546 -2.922 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 60 1.000 -3.658 -6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.815 -2.057 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.938 -3.415 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.297 -1.824 -5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.363 -1.288 -6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.735 -0.973 -7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.413 -2.046 -8.287 1.00 0.00 H new ATOM 950 N GLU A 61 4.390 -4.999 -6.888 1.00 0.00 N ATOM 951 CA GLU A 61 4.872 -6.179 -6.206 1.00 0.00 C ATOM 952 C GLU A 61 4.727 -5.973 -4.726 1.00 0.00 C ATOM 953 O GLU A 61 5.097 -4.921 -4.210 1.00 0.00 O ATOM 954 CB GLU A 61 6.324 -6.439 -6.542 1.00 0.00 C ATOM 955 CG GLU A 61 6.549 -6.785 -7.981 1.00 0.00 C ATOM 956 CD GLU A 61 8.000 -7.037 -8.296 1.00 0.00 C ATOM 957 OE1 GLU A 61 8.360 -8.187 -8.624 1.00 0.00 O ATOM 958 OE2 GLU A 61 8.813 -6.078 -8.236 1.00 0.00 O ATOM 0 H GLU A 61 5.087 -4.265 -7.013 1.00 0.00 H new ATOM 0 HA GLU A 61 4.288 -7.041 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.911 -5.555 -6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.693 -7.253 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.967 -7.672 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.181 -5.973 -8.608 1.00 0.00 H new ATOM 965 N LEU A 62 4.157 -6.909 -4.048 1.00 0.00 N ATOM 966 CA LEU A 62 4.018 -6.773 -2.637 1.00 0.00 C ATOM 967 C LEU A 62 5.151 -7.484 -1.950 1.00 0.00 C ATOM 968 O LEU A 62 5.183 -8.713 -1.891 1.00 0.00 O ATOM 969 CB LEU A 62 2.683 -7.301 -2.114 1.00 0.00 C ATOM 970 CG LEU A 62 1.401 -6.846 -2.815 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.453 -5.413 -3.308 1.00 0.00 C ATOM 972 CD2 LEU A 62 0.959 -7.819 -3.881 1.00 0.00 C ATOM 0 H LEU A 62 3.782 -7.771 -4.443 1.00 0.00 H new ATOM 0 HA LEU A 62 4.044 -5.706 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.716 -8.390 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.604 -7.024 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 62 0.626 -6.850 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.510 -5.161 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.616 -4.743 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.270 -5.303 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.046 -7.454 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.741 -7.914 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.770 -8.793 -3.429 1.00 0.00 H new ATOM 984 N ILE A 63 6.094 -6.730 -1.481 1.00 0.00 N ATOM 985 CA ILE A 63 7.216 -7.282 -0.768 1.00 0.00 C ATOM 986 C ILE A 63 6.903 -7.356 0.714 1.00 0.00 C ATOM 987 O ILE A 63 5.869 -6.856 1.156 1.00 0.00 O ATOM 988 CB ILE A 63 8.500 -6.467 -0.993 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.305 -5.003 -0.606 1.00 0.00 C ATOM 990 CG2 ILE A 63 8.937 -6.585 -2.426 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.552 -4.144 -0.730 1.00 0.00 C ATOM 0 H ILE A 63 6.114 -5.715 -1.578 1.00 0.00 H new ATOM 0 HA ILE A 63 7.391 -8.285 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 63 9.281 -6.874 -0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.522 -4.576 -1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.949 -4.957 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.847 -6.005 -2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.130 -7.631 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.151 -6.204 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.320 -3.121 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.333 -4.541 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.899 -4.154 -1.763 1.00 0.00 H new