USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 748 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 89 THR OG1 : rot 143:sc= 1.15 USER MOD Set 1.2: A 92 GLN :FLIP amide:sc= 1.01 F(o=1.4,f=2.2) USER MOD Set 2.1: A 78 MET CE :methyl 153:sc= -1.15 (180deg=-2.59!) USER MOD Set 2.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 44 ASN : amide:sc= 0.498 K(o=1.9,f=-1.6!) USER MOD Set 3.2: A 47 SER OG : rot 106:sc= 0.186 USER MOD Set 3.3: A 56 TYR OH : rot 10:sc= 1.18 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.329 F(o=-2.8!,f=-0.33) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.251 F(o=-0.96,f=-0.25) USER MOD Single : A 20 LYS NZ :NH3+ 146:sc= 1.23 (180deg=0.37) USER MOD Single : A 23 GLN : amide:sc= -1.66! C(o=-1.7!,f=-4.3!) USER MOD Single : A 26 ASN : amide:sc= 0.751 K(o=0.75,f=-0.035) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0967 USER MOD Single : A 39 GLN : amide:sc= -7.37! C(o=-7.4!,f=-17!) USER MOD Single : A 42 SER OG : rot 96:sc= 1.2 USER MOD Single : A 43 GLN : amide:sc= -0.737 X(o=-0.74,f=-0.58) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= 0.687 (180deg=0.515) USER MOD Single : A 58 THR OG1 : rot -170:sc= 0.0254 USER MOD Single : A 61 SER OG : rot -160:sc= -0.577 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0598 F(o=-1.4!,f=-0.06) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0128 F(o=-4.2!,f=-0.013) USER MOD Single : A 81 ASN :FLIP amide:sc= -2.01 F(o=-3!,f=-2) USER MOD Single : A 85 MET CE :methyl -172:sc= -6.51! (180deg=-6.68!) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-4!) USER MOD Single : A 95 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.09) USER MOD Single : A 98 THR OG1 : rot -45:sc= 0.282 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 153 N VAL A 12 -8.530 -10.297 -4.515 1.00 0.00 N ATOM 154 CA VAL A 12 -8.330 -9.816 -5.857 1.00 0.00 C ATOM 155 C VAL A 12 -7.022 -9.066 -5.924 1.00 0.00 C ATOM 156 O VAL A 12 -6.811 -8.120 -5.185 1.00 0.00 O ATOM 157 CB VAL A 12 -9.490 -8.884 -6.314 1.00 0.00 C ATOM 158 CG1 VAL A 12 -9.281 -8.390 -7.741 1.00 0.00 C ATOM 159 CG2 VAL A 12 -10.827 -9.589 -6.193 1.00 0.00 C ATOM 0 HA VAL A 12 -8.310 -10.675 -6.527 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.491 -8.016 -5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.110 -7.742 -8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.347 -7.831 -7.800 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.237 -9.243 -8.418 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.623 -8.918 -6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.826 -10.481 -6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.995 -9.875 -5.155 1.00 0.00 H new ATOM 169 N VAL A 13 -6.145 -9.518 -6.750 1.00 0.00 N ATOM 170 CA VAL A 13 -4.895 -8.854 -6.964 1.00 0.00 C ATOM 171 C VAL A 13 -5.076 -7.970 -8.180 1.00 0.00 C ATOM 172 O VAL A 13 -5.374 -8.462 -9.272 1.00 0.00 O ATOM 173 CB VAL A 13 -3.763 -9.865 -7.216 1.00 0.00 C ATOM 174 CG1 VAL A 13 -2.409 -9.176 -7.255 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.792 -10.971 -6.179 1.00 0.00 C ATOM 0 H VAL A 13 -6.270 -10.365 -7.304 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.618 -8.275 -6.083 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.925 -10.318 -8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.629 -9.916 -7.435 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.400 -8.437 -8.056 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.226 -8.680 -6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.983 -11.675 -6.375 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.666 -10.541 -5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.748 -11.493 -6.230 1.00 0.00 H new ATOM 185 N GLN A 14 -4.936 -6.695 -7.986 1.00 0.00 N ATOM 186 CA GLN A 14 -5.217 -5.731 -9.029 1.00 0.00 C ATOM 187 C GLN A 14 -4.042 -4.778 -9.207 1.00 0.00 C ATOM 188 O GLN A 14 -3.262 -4.556 -8.264 1.00 0.00 O ATOM 189 CB GLN A 14 -6.524 -4.992 -8.695 1.00 0.00 C ATOM 190 CG GLN A 14 -6.490 -4.269 -7.359 1.00 0.00 C ATOM 191 CD GLN A 14 -6.406 -2.777 -7.507 1.00 0.00 C ATOM 192 OE1 GLN A 14 -5.232 -2.273 -7.615 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -7.416 -2.083 -7.543 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.625 -6.284 -7.106 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.351 -6.242 -9.982 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.735 -4.270 -9.484 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.346 -5.708 -8.690 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.385 -4.523 -6.790 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.635 -4.621 -6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.335 -2.516 -7.454 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.337 -1.073 -7.662 1.00 0.00 H new ATOM 202 N ARG A 15 -3.925 -4.190 -10.376 1.00 0.00 N ATOM 203 CA ARG A 15 -2.777 -3.356 -10.685 1.00 0.00 C ATOM 204 C ARG A 15 -3.074 -1.891 -10.403 1.00 0.00 C ATOM 205 O ARG A 15 -4.223 -1.455 -10.465 1.00 0.00 O ATOM 206 CB ARG A 15 -2.314 -3.569 -12.165 1.00 0.00 C ATOM 207 CG ARG A 15 -3.209 -2.973 -13.270 1.00 0.00 C ATOM 208 CD ARG A 15 -2.830 -1.523 -13.599 1.00 0.00 C ATOM 209 NE ARG A 15 -3.709 -0.915 -14.611 1.00 0.00 N ATOM 210 CZ ARG A 15 -3.343 0.066 -15.466 1.00 0.00 C ATOM 211 NH1 ARG A 15 -2.058 0.406 -15.596 1.00 0.00 N ATOM 212 NH2 ARG A 15 -4.254 0.639 -16.238 1.00 0.00 N ATOM 0 H ARG A 15 -4.607 -4.271 -11.130 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.956 -3.657 -10.034 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.316 -3.145 -12.272 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.226 -4.641 -12.342 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.127 -3.582 -14.170 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.251 -3.012 -12.953 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.868 -0.927 -12.687 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.800 -1.494 -13.955 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.667 -1.260 -14.672 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.345 -0.076 -15.048 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.790 1.147 -16.243 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.228 0.340 -16.186 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.982 1.380 -16.884 1.00 0.00 H new ATOM 226 N VAL A 16 -2.055 -1.147 -10.088 1.00 0.00 N ATOM 227 CA VAL A 16 -2.173 0.280 -9.914 1.00 0.00 C ATOM 228 C VAL A 16 -1.046 0.897 -10.718 1.00 0.00 C ATOM 229 O VAL A 16 -0.015 0.253 -10.912 1.00 0.00 O ATOM 230 CB VAL A 16 -1.994 0.753 -8.444 1.00 0.00 C ATOM 231 CG1 VAL A 16 -2.548 2.144 -8.275 1.00 0.00 C ATOM 232 CG2 VAL A 16 -2.582 -0.208 -7.427 1.00 0.00 C ATOM 0 H VAL A 16 -1.113 -1.509 -9.943 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.174 0.576 -10.227 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.923 0.771 -8.243 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.417 2.465 -7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.019 2.829 -8.937 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.609 2.146 -8.524 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.422 0.183 -6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.651 -0.319 -7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.095 -1.179 -7.520 1.00 0.00 H new ATOM 242 N GLU A 17 -1.226 2.090 -11.187 1.00 0.00 N ATOM 243 CA GLU A 17 -0.213 2.756 -11.944 1.00 0.00 C ATOM 244 C GLU A 17 -0.275 4.244 -11.684 1.00 0.00 C ATOM 245 O GLU A 17 -1.165 4.942 -12.159 1.00 0.00 O ATOM 246 CB GLU A 17 -0.356 2.416 -13.420 1.00 0.00 C ATOM 247 CG GLU A 17 0.669 3.051 -14.320 1.00 0.00 C ATOM 248 CD GLU A 17 0.595 2.502 -15.721 1.00 0.00 C ATOM 249 OE1 GLU A 17 -0.470 2.626 -16.366 1.00 0.00 O ATOM 250 OE2 GLU A 17 1.575 1.877 -16.199 1.00 0.00 O ATOM 0 H GLU A 17 -2.080 2.632 -11.056 1.00 0.00 H new ATOM 0 HA GLU A 17 0.772 2.412 -11.630 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.299 1.334 -13.535 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.348 2.720 -13.753 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.515 4.130 -14.343 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.666 2.880 -13.914 1.00 0.00 H new ATOM 257 N ILE A 18 0.652 4.703 -10.901 1.00 0.00 N ATOM 258 CA ILE A 18 0.703 6.094 -10.501 1.00 0.00 C ATOM 259 C ILE A 18 1.484 6.891 -11.505 1.00 0.00 C ATOM 260 O ILE A 18 2.586 6.523 -11.845 1.00 0.00 O ATOM 261 CB ILE A 18 1.307 6.294 -9.058 1.00 0.00 C ATOM 262 CG1 ILE A 18 0.270 6.045 -7.940 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.946 7.665 -8.885 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.134 4.613 -7.707 1.00 0.00 C ATOM 0 H ILE A 18 1.402 4.129 -10.515 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.326 6.453 -10.465 1.00 0.00 H new ATOM 0 HB ILE A 18 2.088 5.540 -8.962 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.671 6.443 -7.008 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.627 6.619 -8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.347 7.755 -7.876 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.753 7.784 -9.608 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.196 8.439 -9.047 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.865 4.568 -6.899 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.574 4.206 -8.618 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.744 4.027 -7.435 1.00 0.00 H new ATOM 276 N HIS A 19 0.886 7.955 -11.990 1.00 0.00 N ATOM 277 CA HIS A 19 1.535 8.845 -12.923 1.00 0.00 C ATOM 278 C HIS A 19 1.873 10.172 -12.262 1.00 0.00 C ATOM 279 O HIS A 19 0.963 10.908 -11.871 1.00 0.00 O ATOM 280 CB HIS A 19 0.630 9.182 -14.111 1.00 0.00 C ATOM 281 CG HIS A 19 0.221 8.072 -15.018 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.562 6.782 -15.020 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -0.655 8.237 -16.070 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 -0.101 6.134 -16.061 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -0.821 7.068 -16.657 1.00 0.00 N flip ATOM 0 H HIS A 19 -0.067 8.228 -11.748 1.00 0.00 H new ATOM 0 HA HIS A 19 2.432 8.323 -13.257 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.276 9.644 -13.719 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.137 9.936 -14.714 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -1.125 9.164 -16.363 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.039 5.089 -16.325 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.424 6.906 -17.463 1.00 0.00 H new ATOM 293 N LYS A 20 3.169 10.409 -12.089 1.00 0.00 N ATOM 294 CA LYS A 20 3.796 11.726 -11.749 1.00 0.00 C ATOM 295 C LYS A 20 2.921 12.756 -10.998 1.00 0.00 C ATOM 296 O LYS A 20 2.144 13.502 -11.598 1.00 0.00 O ATOM 297 CB LYS A 20 4.405 12.337 -13.035 1.00 0.00 C ATOM 298 CG LYS A 20 3.391 12.503 -14.193 1.00 0.00 C ATOM 299 CD LYS A 20 4.055 12.710 -15.551 1.00 0.00 C ATOM 300 CE LYS A 20 4.822 11.463 -15.980 1.00 0.00 C ATOM 301 NZ LYS A 20 5.413 11.585 -17.322 1.00 0.00 N ATOM 0 H LYS A 20 3.862 9.667 -12.182 1.00 0.00 H new ATOM 0 HA LYS A 20 4.561 11.491 -11.009 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.831 13.311 -12.796 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.226 11.704 -13.372 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.754 11.620 -14.239 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.743 13.353 -13.980 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.298 12.950 -16.297 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.735 13.561 -15.502 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.613 11.263 -15.257 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.150 10.605 -15.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.316 11.069 -17.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.761 11.184 -18.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.580 12.589 -17.538 1.00 0.00 H new ATOM 315 N LEU A 21 3.065 12.818 -9.716 1.00 0.00 N ATOM 316 CA LEU A 21 2.354 13.800 -8.951 1.00 0.00 C ATOM 317 C LEU A 21 3.329 14.808 -8.379 1.00 0.00 C ATOM 318 O LEU A 21 4.209 14.463 -7.593 1.00 0.00 O ATOM 319 CB LEU A 21 1.572 13.144 -7.846 1.00 0.00 C ATOM 320 CG LEU A 21 0.877 14.089 -6.881 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.277 14.812 -7.554 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.437 13.371 -5.621 1.00 0.00 C ATOM 0 H LEU A 21 3.668 12.202 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 21 1.652 14.316 -9.606 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.820 12.494 -8.294 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.248 12.505 -7.277 1.00 0.00 H new ATOM 0 HG LEU A 21 1.601 14.846 -6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.754 15.481 -6.838 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.099 15.392 -8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.005 14.083 -7.911 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.056 14.077 -4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.257 12.572 -5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.308 12.947 -5.121 1.00 0.00 H new ATOM 334 N ARG A 22 3.168 16.037 -8.754 1.00 0.00 N ATOM 335 CA ARG A 22 4.062 17.081 -8.336 1.00 0.00 C ATOM 336 C ARG A 22 3.424 17.899 -7.233 1.00 0.00 C ATOM 337 O ARG A 22 2.530 18.721 -7.475 1.00 0.00 O ATOM 338 CB ARG A 22 4.517 17.973 -9.519 1.00 0.00 C ATOM 339 CG ARG A 22 5.307 17.234 -10.621 1.00 0.00 C ATOM 340 CD ARG A 22 4.420 16.422 -11.579 1.00 0.00 C ATOM 341 NE ARG A 22 3.712 17.283 -12.535 1.00 0.00 N ATOM 342 CZ ARG A 22 2.588 16.976 -13.211 1.00 0.00 C ATOM 343 NH1 ARG A 22 1.912 15.856 -12.956 1.00 0.00 N ATOM 344 NH2 ARG A 22 2.130 17.812 -14.142 1.00 0.00 N ATOM 0 H ARG A 22 2.411 16.351 -9.361 1.00 0.00 H new ATOM 0 HA ARG A 22 4.965 16.613 -7.944 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.637 18.432 -9.969 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.135 18.782 -9.129 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.877 17.963 -11.198 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.028 16.564 -10.152 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.035 15.705 -12.123 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.695 15.847 -11.003 1.00 0.00 H new ATOM 0 HE ARG A 22 4.111 18.206 -12.704 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.244 15.213 -12.237 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.063 15.642 -13.479 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.630 18.679 -14.339 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.279 17.585 -14.657 1.00 0.00 H new ATOM 358 N GLN A 23 3.856 17.653 -6.019 1.00 0.00 N ATOM 359 CA GLN A 23 3.319 18.312 -4.863 1.00 0.00 C ATOM 360 C GLN A 23 4.342 19.254 -4.362 1.00 0.00 C ATOM 361 O GLN A 23 5.411 18.816 -3.947 1.00 0.00 O ATOM 362 CB GLN A 23 3.014 17.285 -3.782 1.00 0.00 C ATOM 363 CG GLN A 23 1.909 16.327 -4.153 1.00 0.00 C ATOM 364 CD GLN A 23 0.531 16.928 -4.036 1.00 0.00 C ATOM 365 OE1 GLN A 23 -0.356 16.611 -4.814 1.00 0.00 O ATOM 366 NE2 GLN A 23 0.311 17.721 -3.032 1.00 0.00 N ATOM 0 H GLN A 23 4.596 16.983 -5.809 1.00 0.00 H new ATOM 0 HA GLN A 23 2.400 18.839 -5.121 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.919 16.717 -3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.739 17.806 -2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.063 15.986 -5.177 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.970 15.448 -3.511 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.073 17.967 -2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.624 18.098 -2.875 1.00 0.00 H new ATOM 375 N GLY A 24 4.059 20.522 -4.465 1.00 0.00 N ATOM 376 CA GLY A 24 4.950 21.535 -3.969 1.00 0.00 C ATOM 377 C GLY A 24 6.276 21.526 -4.680 1.00 0.00 C ATOM 378 O GLY A 24 6.382 21.945 -5.837 1.00 0.00 O ATOM 0 H GLY A 24 3.207 20.883 -4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.485 22.514 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.111 21.383 -2.902 1.00 0.00 H new ATOM 382 N GLU A 25 7.261 20.992 -4.009 1.00 0.00 N ATOM 383 CA GLU A 25 8.613 20.935 -4.500 1.00 0.00 C ATOM 384 C GLU A 25 9.070 19.485 -4.644 1.00 0.00 C ATOM 385 O GLU A 25 10.277 19.209 -4.698 1.00 0.00 O ATOM 386 CB GLU A 25 9.515 21.652 -3.505 1.00 0.00 C ATOM 387 CG GLU A 25 9.222 23.129 -3.357 1.00 0.00 C ATOM 388 CD GLU A 25 9.893 23.721 -2.158 1.00 0.00 C ATOM 389 OE1 GLU A 25 11.132 23.859 -2.149 1.00 0.00 O ATOM 390 OE2 GLU A 25 9.188 24.040 -1.169 1.00 0.00 O ATOM 0 H GLU A 25 7.144 20.575 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 25 8.665 21.412 -5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.415 21.174 -2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.552 21.528 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.553 23.655 -4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.145 23.278 -3.279 1.00 0.00 H new ATOM 397 N ASN A 26 8.123 18.565 -4.725 1.00 0.00 N ATOM 398 CA ASN A 26 8.462 17.143 -4.776 1.00 0.00 C ATOM 399 C ASN A 26 7.699 16.468 -5.879 1.00 0.00 C ATOM 400 O ASN A 26 6.850 17.077 -6.544 1.00 0.00 O ATOM 401 CB ASN A 26 8.028 16.402 -3.498 1.00 0.00 C ATOM 402 CG ASN A 26 8.098 17.202 -2.246 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.113 17.228 -1.548 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.998 17.837 -1.942 1.00 0.00 N ATOM 0 H ASN A 26 7.124 18.768 -4.757 1.00 0.00 H new ATOM 0 HA ASN A 26 9.542 17.099 -4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.004 16.053 -3.630 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.654 15.517 -3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.949 18.391 -1.087 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.188 17.779 -2.559 1.00 0.00 H new ATOM 411 N LEU A 27 7.985 15.217 -6.031 1.00 0.00 N ATOM 412 CA LEU A 27 7.278 14.325 -6.874 1.00 0.00 C ATOM 413 C LEU A 27 6.896 13.221 -5.923 1.00 0.00 C ATOM 414 O LEU A 27 7.760 12.687 -5.228 1.00 0.00 O ATOM 415 CB LEU A 27 8.219 13.793 -7.988 1.00 0.00 C ATOM 416 CG LEU A 27 7.605 13.016 -9.197 1.00 0.00 C ATOM 417 CD1 LEU A 27 6.890 11.736 -8.789 1.00 0.00 C ATOM 418 CD2 LEU A 27 6.690 13.905 -10.006 1.00 0.00 C ATOM 0 H LEU A 27 8.761 14.771 -5.542 1.00 0.00 H new ATOM 0 HA LEU A 27 6.424 14.772 -7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.767 14.645 -8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.951 13.138 -7.515 1.00 0.00 H new ATOM 0 HG LEU A 27 8.446 12.715 -9.821 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.487 11.246 -9.675 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.594 11.068 -8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.075 11.976 -8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.277 13.339 -10.841 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.878 14.263 -9.373 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.254 14.756 -10.389 1.00 0.00 H new ATOM 430 N ILE A 28 5.645 12.961 -5.785 1.00 0.00 N ATOM 431 CA ILE A 28 5.225 11.912 -4.908 1.00 0.00 C ATOM 432 C ILE A 28 4.299 11.018 -5.681 1.00 0.00 C ATOM 433 O ILE A 28 3.808 11.396 -6.742 1.00 0.00 O ATOM 434 CB ILE A 28 4.460 12.430 -3.646 1.00 0.00 C ATOM 435 CG1 ILE A 28 4.804 13.891 -3.322 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.795 11.550 -2.451 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.125 14.428 -2.075 1.00 0.00 C ATOM 0 H ILE A 28 4.892 13.455 -6.264 1.00 0.00 H new ATOM 0 HA ILE A 28 6.118 11.396 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 28 3.393 12.382 -3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.884 13.980 -3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.526 14.515 -4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.262 11.912 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.496 10.523 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.868 11.584 -2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.421 15.465 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.043 14.374 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.422 13.831 -1.213 1.00 0.00 H new ATOM 449 N LEU A 29 4.062 9.854 -5.168 1.00 0.00 N ATOM 450 CA LEU A 29 3.142 8.935 -5.782 1.00 0.00 C ATOM 451 C LEU A 29 1.760 9.093 -5.172 1.00 0.00 C ATOM 452 O LEU A 29 0.811 8.400 -5.533 1.00 0.00 O ATOM 453 CB LEU A 29 3.642 7.491 -5.673 1.00 0.00 C ATOM 454 CG LEU A 29 4.792 7.065 -6.621 1.00 0.00 C ATOM 455 CD1 LEU A 29 6.081 7.852 -6.396 1.00 0.00 C ATOM 456 CD2 LEU A 29 5.050 5.590 -6.477 1.00 0.00 C ATOM 0 H LEU A 29 4.497 9.508 -4.313 1.00 0.00 H new ATOM 0 HA LEU A 29 3.076 9.170 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.971 7.324 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.796 6.827 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 29 4.467 7.291 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.845 7.505 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.894 8.913 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.426 7.701 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.859 5.295 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.331 5.369 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.147 5.036 -6.734 1.00 0.00 H new ATOM 468 N GLY A 30 1.652 10.016 -4.245 1.00 0.00 N ATOM 469 CA GLY A 30 0.400 10.316 -3.645 1.00 0.00 C ATOM 470 C GLY A 30 0.088 9.538 -2.381 1.00 0.00 C ATOM 471 O GLY A 30 -0.568 10.054 -1.485 1.00 0.00 O ATOM 0 H GLY A 30 2.434 10.571 -3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.372 11.381 -3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.389 10.127 -4.373 1.00 0.00 H new ATOM 475 N PHE A 31 0.490 8.316 -2.319 1.00 0.00 N ATOM 476 CA PHE A 31 0.168 7.498 -1.174 1.00 0.00 C ATOM 477 C PHE A 31 1.349 7.315 -0.187 1.00 0.00 C ATOM 478 O PHE A 31 2.511 7.601 -0.508 1.00 0.00 O ATOM 479 CB PHE A 31 -0.376 6.152 -1.653 1.00 0.00 C ATOM 480 CG PHE A 31 0.605 5.306 -2.365 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.788 5.448 -3.711 1.00 0.00 C ATOM 482 CD2 PHE A 31 1.322 4.346 -1.686 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.673 4.655 -4.384 1.00 0.00 C ATOM 484 CE2 PHE A 31 2.213 3.543 -2.347 1.00 0.00 C ATOM 485 CZ PHE A 31 2.394 3.694 -3.705 1.00 0.00 C ATOM 0 H PHE A 31 1.042 7.851 -3.040 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.597 8.023 -0.603 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.753 5.601 -0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.225 6.333 -2.312 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.226 6.197 -4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.180 4.225 -0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.809 4.780 -5.448 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.772 2.794 -1.806 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.095 3.065 -4.234 1.00 0.00 H new ATOM 495 N SER A 32 1.017 6.836 1.001 1.00 0.00 N ATOM 496 CA SER A 32 1.943 6.534 2.068 1.00 0.00 C ATOM 497 C SER A 32 1.636 5.161 2.661 1.00 0.00 C ATOM 498 O SER A 32 0.567 4.619 2.429 1.00 0.00 O ATOM 499 CB SER A 32 1.899 7.597 3.134 1.00 0.00 C ATOM 500 OG SER A 32 2.556 8.776 2.707 1.00 0.00 O ATOM 0 H SER A 32 0.049 6.640 1.254 1.00 0.00 H new ATOM 0 HA SER A 32 2.951 6.516 1.654 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.862 7.825 3.382 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.370 7.224 4.043 1.00 0.00 H new ATOM 0 HG SER A 32 2.512 9.451 3.417 1.00 0.00 H new ATOM 506 N ILE A 33 2.536 4.637 3.485 1.00 0.00 N ATOM 507 CA ILE A 33 2.470 3.245 3.902 1.00 0.00 C ATOM 508 C ILE A 33 2.502 3.116 5.407 1.00 0.00 C ATOM 509 O ILE A 33 2.747 4.095 6.114 1.00 0.00 O ATOM 510 CB ILE A 33 3.665 2.456 3.320 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.967 2.780 4.083 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.807 2.775 1.854 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.223 2.192 3.503 1.00 0.00 C ATOM 0 H ILE A 33 3.321 5.158 3.877 1.00 0.00 H new ATOM 0 HA ILE A 33 1.529 2.840 3.529 1.00 0.00 H new ATOM 0 HB ILE A 33 3.476 1.389 3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.081 3.863 4.127 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.863 2.428 5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.649 2.220 1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.894 2.492 1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.981 3.844 1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.077 2.481 4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.141 1.105 3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.363 2.562 2.487 1.00 0.00 H new ATOM 525 N GLY A 34 2.298 1.909 5.886 1.00 0.00 N ATOM 526 CA GLY A 34 2.316 1.665 7.311 1.00 0.00 C ATOM 527 C GLY A 34 3.406 0.711 7.653 1.00 0.00 C ATOM 528 O GLY A 34 3.726 0.484 8.804 1.00 0.00 O ATOM 0 H GLY A 34 2.119 1.085 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.462 2.603 7.847 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.355 1.261 7.631 1.00 0.00 H new ATOM 532 N GLY A 35 4.026 0.214 6.631 1.00 0.00 N ATOM 533 CA GLY A 35 5.044 -0.726 6.777 1.00 0.00 C ATOM 534 C GLY A 35 4.608 -2.089 6.354 1.00 0.00 C ATOM 535 O GLY A 35 3.529 -2.245 5.825 1.00 0.00 O ATOM 0 H GLY A 35 3.822 0.466 5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.907 -0.421 6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.365 -0.754 7.818 1.00 0.00 H new ATOM 539 N GLY A 36 5.515 -3.018 6.488 1.00 0.00 N ATOM 540 CA GLY A 36 5.300 -4.371 6.177 1.00 0.00 C ATOM 541 C GLY A 36 5.748 -5.341 7.260 1.00 0.00 C ATOM 542 O GLY A 36 4.936 -5.845 7.989 1.00 0.00 O ATOM 0 H GLY A 36 6.456 -2.827 6.832 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.238 -4.523 5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.827 -4.608 5.253 1.00 0.00 H new ATOM 546 N ILE A 37 7.047 -5.626 7.350 1.00 0.00 N ATOM 547 CA ILE A 37 7.505 -6.673 8.292 1.00 0.00 C ATOM 548 C ILE A 37 8.091 -6.127 9.567 1.00 0.00 C ATOM 549 O ILE A 37 8.103 -6.804 10.585 1.00 0.00 O ATOM 550 CB ILE A 37 8.549 -7.660 7.694 1.00 0.00 C ATOM 551 CG1 ILE A 37 9.977 -7.048 7.591 1.00 0.00 C ATOM 552 CG2 ILE A 37 8.088 -8.210 6.368 1.00 0.00 C ATOM 553 CD1 ILE A 37 10.111 -5.882 6.713 1.00 0.00 C ATOM 0 H ILE A 37 7.784 -5.173 6.810 1.00 0.00 H new ATOM 0 HA ILE A 37 6.580 -7.209 8.506 1.00 0.00 H new ATOM 0 HB ILE A 37 8.624 -8.490 8.397 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.303 -6.765 8.592 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.659 -7.823 7.241 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.840 -8.896 5.977 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.146 -8.742 6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.944 -7.390 5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.146 -5.540 6.718 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.824 -6.156 5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.463 -5.082 7.070 1.00 0.00 H new ATOM 565 N ASP A 38 8.598 -4.930 9.487 1.00 0.00 N ATOM 566 CA ASP A 38 9.278 -4.285 10.611 1.00 0.00 C ATOM 567 C ASP A 38 8.279 -3.897 11.644 1.00 0.00 C ATOM 568 O ASP A 38 8.581 -3.740 12.824 1.00 0.00 O ATOM 569 CB ASP A 38 9.993 -3.048 10.090 1.00 0.00 C ATOM 570 CG ASP A 38 10.628 -2.173 11.160 1.00 0.00 C ATOM 571 OD1 ASP A 38 9.964 -1.253 11.663 1.00 0.00 O ATOM 572 OD2 ASP A 38 11.819 -2.360 11.471 1.00 0.00 O ATOM 0 H ASP A 38 8.559 -4.358 8.643 1.00 0.00 H new ATOM 0 HA ASP A 38 9.997 -4.969 11.061 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.769 -3.362 9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.281 -2.446 9.525 1.00 0.00 H new ATOM 577 N GLN A 39 7.094 -3.808 11.192 1.00 0.00 N ATOM 578 CA GLN A 39 6.012 -3.341 11.934 1.00 0.00 C ATOM 579 C GLN A 39 5.155 -4.532 12.301 1.00 0.00 C ATOM 580 O GLN A 39 5.046 -5.476 11.512 1.00 0.00 O ATOM 581 CB GLN A 39 5.274 -2.282 11.098 1.00 0.00 C ATOM 582 CG GLN A 39 5.507 -2.420 9.574 1.00 0.00 C ATOM 583 CD GLN A 39 6.933 -1.989 9.054 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.485 -2.559 8.101 1.00 0.00 O ATOM 585 NE2 GLN A 39 7.479 -1.015 9.606 1.00 0.00 N ATOM 0 H GLN A 39 6.845 -4.076 10.240 1.00 0.00 H new ATOM 0 HA GLN A 39 6.312 -2.857 12.863 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.205 -2.351 11.301 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.595 -1.291 11.418 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.338 -3.459 9.293 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.757 -1.823 9.056 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.021 -0.550 10.389 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.385 -0.683 9.275 1.00 0.00 H new ATOM 594 N ASP A 40 4.601 -4.525 13.486 1.00 0.00 N ATOM 595 CA ASP A 40 3.895 -5.688 13.972 1.00 0.00 C ATOM 596 C ASP A 40 2.453 -5.648 13.563 1.00 0.00 C ATOM 597 O ASP A 40 1.741 -4.684 13.880 1.00 0.00 O ATOM 598 CB ASP A 40 3.950 -5.803 15.476 1.00 0.00 C ATOM 599 CG ASP A 40 3.590 -7.194 15.927 1.00 0.00 C ATOM 600 OD1 ASP A 40 4.471 -8.075 15.937 1.00 0.00 O ATOM 601 OD2 ASP A 40 2.420 -7.436 16.261 1.00 0.00 O ATOM 0 H ASP A 40 4.623 -3.734 14.130 1.00 0.00 H new ATOM 0 HA ASP A 40 4.393 -6.551 13.530 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.951 -5.551 15.827 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.265 -5.083 15.924 1.00 0.00 H new ATOM 606 N PRO A 41 1.975 -6.710 12.902 1.00 0.00 N ATOM 607 CA PRO A 41 0.605 -6.790 12.419 1.00 0.00 C ATOM 608 C PRO A 41 -0.441 -6.597 13.518 1.00 0.00 C ATOM 609 O PRO A 41 -1.483 -5.999 13.284 1.00 0.00 O ATOM 610 CB PRO A 41 0.494 -8.200 11.817 1.00 0.00 C ATOM 611 CG PRO A 41 1.681 -8.942 12.311 1.00 0.00 C ATOM 612 CD PRO A 41 2.743 -7.919 12.541 1.00 0.00 C ATOM 0 HA PRO A 41 0.404 -5.992 11.704 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.430 -8.687 12.129 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.482 -8.161 10.728 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.450 -9.478 13.232 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.007 -9.685 11.583 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.423 -8.217 13.339 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.349 -7.760 11.649 1.00 0.00 H new ATOM 620 N SER A 42 -0.110 -7.013 14.735 1.00 0.00 N ATOM 621 CA SER A 42 -1.056 -6.987 15.847 1.00 0.00 C ATOM 622 C SER A 42 -1.371 -5.554 16.266 1.00 0.00 C ATOM 623 O SER A 42 -2.464 -5.254 16.737 1.00 0.00 O ATOM 624 CB SER A 42 -0.452 -7.723 17.028 1.00 0.00 C ATOM 625 OG SER A 42 0.231 -8.887 16.583 1.00 0.00 O ATOM 0 H SER A 42 0.812 -7.375 14.979 1.00 0.00 H new ATOM 0 HA SER A 42 -1.980 -7.467 15.526 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.238 -7.068 17.560 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.236 -8.000 17.733 1.00 0.00 H new ATOM 0 HG SER A 42 1.186 -8.689 16.485 1.00 0.00 H new ATOM 631 N GLN A 43 -0.418 -4.671 16.069 1.00 0.00 N ATOM 632 CA GLN A 43 -0.562 -3.290 16.498 1.00 0.00 C ATOM 633 C GLN A 43 -0.720 -2.365 15.320 1.00 0.00 C ATOM 634 O GLN A 43 -0.744 -1.135 15.458 1.00 0.00 O ATOM 635 CB GLN A 43 0.607 -2.887 17.386 1.00 0.00 C ATOM 636 CG GLN A 43 1.928 -3.211 16.840 1.00 0.00 C ATOM 637 CD GLN A 43 2.850 -3.554 17.952 1.00 0.00 C ATOM 638 OE1 GLN A 43 3.584 -2.718 18.474 1.00 0.00 O ATOM 639 NE2 GLN A 43 2.699 -4.753 18.413 1.00 0.00 N ATOM 0 H GLN A 43 0.470 -4.882 15.613 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.474 -3.205 17.089 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.556 -1.813 17.566 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.498 -3.378 18.353 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.851 -4.047 16.145 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.319 -2.364 16.277 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.076 -5.407 17.939 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.203 -5.045 19.250 1.00 0.00 H new ATOM 648 N ASN A 44 -0.864 -2.958 14.172 1.00 0.00 N ATOM 649 CA ASN A 44 -0.981 -2.226 12.936 1.00 0.00 C ATOM 650 C ASN A 44 -2.408 -2.090 12.471 1.00 0.00 C ATOM 651 O ASN A 44 -3.226 -2.969 12.696 1.00 0.00 O ATOM 652 CB ASN A 44 -0.124 -2.833 11.843 1.00 0.00 C ATOM 653 CG ASN A 44 1.279 -2.220 11.776 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.839 -2.092 10.711 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.855 -1.867 12.898 1.00 0.00 N ATOM 0 H ASN A 44 -0.904 -3.971 14.061 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.612 -1.222 13.147 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.038 -3.907 12.010 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.620 -2.698 10.882 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.796 -1.474 12.887 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.362 -1.985 13.783 1.00 0.00 H new ATOM 662 N PRO A 45 -2.713 -0.983 11.773 1.00 0.00 N ATOM 663 CA PRO A 45 -4.065 -0.675 11.317 1.00 0.00 C ATOM 664 C PRO A 45 -4.579 -1.650 10.261 1.00 0.00 C ATOM 665 O PRO A 45 -5.637 -2.259 10.413 1.00 0.00 O ATOM 666 CB PRO A 45 -3.919 0.724 10.707 1.00 0.00 C ATOM 667 CG PRO A 45 -2.478 0.862 10.360 1.00 0.00 C ATOM 668 CD PRO A 45 -1.744 0.077 11.382 1.00 0.00 C ATOM 0 HA PRO A 45 -4.784 -0.741 12.133 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.547 0.833 9.823 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.227 1.494 11.414 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.278 0.484 9.357 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.170 1.908 10.373 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.826 -0.349 10.977 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.460 0.695 12.234 1.00 0.00 H new ATOM 676 N PHE A 46 -3.800 -1.824 9.223 1.00 0.00 N ATOM 677 CA PHE A 46 -4.213 -2.608 8.077 1.00 0.00 C ATOM 678 C PHE A 46 -3.476 -3.920 8.029 1.00 0.00 C ATOM 679 O PHE A 46 -3.389 -4.564 6.982 1.00 0.00 O ATOM 680 CB PHE A 46 -3.960 -1.807 6.804 1.00 0.00 C ATOM 681 CG PHE A 46 -4.635 -0.467 6.823 1.00 0.00 C ATOM 682 CD1 PHE A 46 -5.997 -0.346 6.602 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.904 0.663 7.076 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.604 0.894 6.635 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.501 1.899 7.112 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.846 2.017 6.893 1.00 0.00 C ATOM 0 H PHE A 46 -2.863 -1.429 9.145 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.277 -2.829 8.162 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.887 -1.668 6.674 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.314 -2.376 5.944 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.588 -1.227 6.403 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.841 0.581 7.250 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.666 0.984 6.460 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.908 2.779 7.313 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.314 2.990 6.922 1.00 0.00 H new ATOM 696 N SER A 47 -2.977 -4.335 9.157 1.00 0.00 N ATOM 697 CA SER A 47 -2.227 -5.560 9.199 1.00 0.00 C ATOM 698 C SER A 47 -2.812 -6.507 10.250 1.00 0.00 C ATOM 699 O SER A 47 -2.387 -7.642 10.386 1.00 0.00 O ATOM 700 CB SER A 47 -0.798 -5.205 9.532 1.00 0.00 C ATOM 701 OG SER A 47 0.121 -6.227 9.219 1.00 0.00 O ATOM 0 H SER A 47 -3.073 -3.852 10.050 1.00 0.00 H new ATOM 0 HA SER A 47 -2.274 -6.073 8.238 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.521 -4.300 8.992 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.727 -4.976 10.595 1.00 0.00 H new ATOM 0 HG SER A 47 0.629 -5.977 8.419 1.00 0.00 H new ATOM 782 N LYS A 53 2.694 -10.138 6.719 1.00 0.00 N ATOM 783 CA LYS A 53 3.476 -8.918 6.620 1.00 0.00 C ATOM 784 C LYS A 53 3.712 -8.462 5.175 1.00 0.00 C ATOM 785 O LYS A 53 3.468 -9.201 4.210 1.00 0.00 O ATOM 786 CB LYS A 53 4.789 -9.077 7.364 1.00 0.00 C ATOM 787 CG LYS A 53 4.636 -9.185 8.875 1.00 0.00 C ATOM 788 CD LYS A 53 5.964 -9.502 9.544 1.00 0.00 C ATOM 789 CE LYS A 53 5.925 -9.206 11.028 1.00 0.00 C ATOM 790 NZ LYS A 53 7.251 -9.354 11.670 1.00 0.00 N ATOM 0 HA LYS A 53 2.889 -8.128 7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.298 -9.968 6.996 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.430 -8.226 7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.242 -8.249 9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.911 -9.963 9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.209 -10.553 9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.756 -8.917 9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.561 -8.190 11.183 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.214 -9.877 11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.130 -9.444 12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.723 -10.204 11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.833 -8.517 11.462 1.00 0.00 H new ATOM 804 N GLY A 54 4.192 -7.252 5.029 1.00 0.00 N ATOM 805 CA GLY A 54 4.381 -6.689 3.692 1.00 0.00 C ATOM 806 C GLY A 54 3.727 -5.343 3.617 1.00 0.00 C ATOM 807 O GLY A 54 2.683 -5.186 4.150 1.00 0.00 O ATOM 0 H GLY A 54 4.459 -6.637 5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.445 -6.601 3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.953 -7.355 2.942 1.00 0.00 H new ATOM 811 N ILE A 55 4.368 -4.398 2.961 1.00 0.00 N ATOM 812 CA ILE A 55 3.972 -2.983 2.953 1.00 0.00 C ATOM 813 C ILE A 55 2.526 -2.750 2.510 1.00 0.00 C ATOM 814 O ILE A 55 2.069 -3.284 1.499 1.00 0.00 O ATOM 815 CB ILE A 55 4.962 -2.173 2.075 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.388 -2.289 2.640 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.549 -0.710 1.965 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.622 -1.594 3.945 1.00 0.00 C ATOM 0 H ILE A 55 5.200 -4.585 2.402 1.00 0.00 H new ATOM 0 HA ILE A 55 4.017 -2.633 3.984 1.00 0.00 H new ATOM 0 HB ILE A 55 4.941 -2.596 1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.627 -3.345 2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.085 -1.888 1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.266 -0.175 1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.558 -0.644 1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.526 -0.263 2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.657 -1.738 4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.422 -0.529 3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.957 -2.009 4.702 1.00 0.00 H new ATOM 830 N TYR A 56 1.816 -1.977 3.312 1.00 0.00 N ATOM 831 CA TYR A 56 0.455 -1.595 3.042 1.00 0.00 C ATOM 832 C TYR A 56 0.320 -0.113 3.081 1.00 0.00 C ATOM 833 O TYR A 56 1.067 0.566 3.795 1.00 0.00 O ATOM 834 CB TYR A 56 -0.532 -2.258 4.017 1.00 0.00 C ATOM 835 CG TYR A 56 0.089 -2.642 5.336 1.00 0.00 C ATOM 836 CD1 TYR A 56 0.288 -1.732 6.366 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.524 -3.926 5.514 1.00 0.00 C ATOM 838 CE1 TYR A 56 0.922 -2.126 7.530 1.00 0.00 C ATOM 839 CE2 TYR A 56 1.141 -4.331 6.652 1.00 0.00 C ATOM 840 CZ TYR A 56 1.354 -3.440 7.657 1.00 0.00 C ATOM 841 OH TYR A 56 2.002 -3.861 8.793 1.00 0.00 O ATOM 0 H TYR A 56 2.182 -1.594 4.183 1.00 0.00 H new ATOM 0 HA TYR A 56 0.204 -1.948 2.042 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.362 -1.576 4.201 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.950 -3.149 3.548 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.054 -0.713 6.258 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.371 -4.643 4.721 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.080 -1.420 8.332 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.462 -5.357 6.759 1.00 0.00 H new ATOM 0 HH TYR A 56 1.943 -3.165 9.480 1.00 0.00 H new ATOM 851 N VAL A 57 -0.598 0.378 2.306 1.00 0.00 N ATOM 852 CA VAL A 57 -0.864 1.784 2.202 1.00 0.00 C ATOM 853 C VAL A 57 -1.779 2.243 3.320 1.00 0.00 C ATOM 854 O VAL A 57 -2.797 1.608 3.605 1.00 0.00 O ATOM 855 CB VAL A 57 -1.495 2.121 0.838 1.00 0.00 C ATOM 856 CG1 VAL A 57 -1.816 3.572 0.731 1.00 0.00 C ATOM 857 CG2 VAL A 57 -0.572 1.724 -0.272 1.00 0.00 C ATOM 0 H VAL A 57 -1.197 -0.198 1.715 1.00 0.00 H new ATOM 0 HA VAL A 57 0.087 2.310 2.289 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.425 1.559 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.260 3.776 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.521 3.847 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.902 4.156 0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.030 1.968 -1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.370 2.263 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.383 0.652 -0.222 1.00 0.00 H new ATOM 867 N THR A 58 -1.414 3.331 3.948 1.00 0.00 N ATOM 868 CA THR A 58 -2.179 3.884 5.024 1.00 0.00 C ATOM 869 C THR A 58 -2.795 5.232 4.635 1.00 0.00 C ATOM 870 O THR A 58 -3.753 5.690 5.244 1.00 0.00 O ATOM 871 CB THR A 58 -1.288 4.047 6.241 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.083 4.712 5.845 1.00 0.00 O ATOM 873 CG2 THR A 58 -0.960 2.693 6.858 1.00 0.00 C ATOM 0 H THR A 58 -0.571 3.858 3.722 1.00 0.00 H new ATOM 0 HA THR A 58 -2.997 3.201 5.255 1.00 0.00 H new ATOM 0 HB THR A 58 -1.811 4.639 6.992 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.564 4.683 6.581 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.320 2.835 7.729 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.883 2.199 7.162 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.442 2.075 6.125 1.00 0.00 H new ATOM 881 N ARG A 59 -2.242 5.854 3.632 1.00 0.00 N ATOM 882 CA ARG A 59 -2.736 7.123 3.141 1.00 0.00 C ATOM 883 C ARG A 59 -2.671 7.139 1.649 1.00 0.00 C ATOM 884 O ARG A 59 -1.681 6.744 1.096 1.00 0.00 O ATOM 885 CB ARG A 59 -1.890 8.267 3.697 1.00 0.00 C ATOM 886 CG ARG A 59 -2.409 8.915 4.964 1.00 0.00 C ATOM 887 CD ARG A 59 -3.697 9.689 4.708 1.00 0.00 C ATOM 888 NE ARG A 59 -3.528 10.730 3.667 1.00 0.00 N ATOM 889 CZ ARG A 59 -4.313 11.815 3.507 1.00 0.00 C ATOM 890 NH1 ARG A 59 -5.278 12.097 4.390 1.00 0.00 N ATOM 891 NH2 ARG A 59 -4.106 12.633 2.479 1.00 0.00 N ATOM 0 H ARG A 59 -1.431 5.499 3.125 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.768 7.252 3.466 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.885 7.891 3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.801 9.035 2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.587 8.149 5.719 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.652 9.589 5.366 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.481 8.996 4.402 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.029 10.156 5.635 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.751 10.616 3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.426 11.488 5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.865 12.921 4.258 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.356 12.439 1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.697 13.455 2.354 1.00 0.00 H new ATOM 905 N VAL A 60 -3.727 7.554 1.013 1.00 0.00 N ATOM 906 CA VAL A 60 -3.754 7.693 -0.423 1.00 0.00 C ATOM 907 C VAL A 60 -4.218 9.085 -0.756 1.00 0.00 C ATOM 908 O VAL A 60 -5.033 9.655 -0.033 1.00 0.00 O ATOM 909 CB VAL A 60 -4.663 6.615 -1.141 1.00 0.00 C ATOM 910 CG1 VAL A 60 -4.866 6.907 -2.591 1.00 0.00 C ATOM 911 CG2 VAL A 60 -4.070 5.256 -1.006 1.00 0.00 C ATOM 0 H VAL A 60 -4.601 7.808 1.473 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.745 7.521 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.633 6.657 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.497 6.136 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.348 7.878 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.901 6.921 -3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.710 4.529 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.080 5.244 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.985 4.999 0.050 1.00 0.00 H new ATOM 921 N SER A 61 -3.641 9.645 -1.787 1.00 0.00 N ATOM 922 CA SER A 61 -4.020 10.900 -2.296 1.00 0.00 C ATOM 923 C SER A 61 -5.421 10.911 -2.786 1.00 0.00 C ATOM 924 O SER A 61 -5.707 10.409 -3.853 1.00 0.00 O ATOM 925 CB SER A 61 -3.101 11.285 -3.398 1.00 0.00 C ATOM 926 OG SER A 61 -1.944 11.898 -2.907 1.00 0.00 O ATOM 0 H SER A 61 -2.872 9.212 -2.299 1.00 0.00 H new ATOM 0 HA SER A 61 -3.956 11.620 -1.480 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.829 10.400 -3.973 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.613 11.964 -4.080 1.00 0.00 H new ATOM 0 HG SER A 61 -1.518 12.414 -3.623 1.00 0.00 H new ATOM 932 N GLU A 62 -6.232 11.532 -1.988 1.00 0.00 N ATOM 933 CA GLU A 62 -7.649 11.821 -2.159 1.00 0.00 C ATOM 934 C GLU A 62 -8.012 12.320 -3.581 1.00 0.00 C ATOM 935 O GLU A 62 -9.143 12.168 -4.041 1.00 0.00 O ATOM 936 CB GLU A 62 -8.010 12.910 -1.137 1.00 0.00 C ATOM 937 CG GLU A 62 -7.290 14.264 -1.362 1.00 0.00 C ATOM 938 CD GLU A 62 -5.771 14.230 -1.300 1.00 0.00 C ATOM 939 OE1 GLU A 62 -5.187 14.081 -0.206 1.00 0.00 O ATOM 940 OE2 GLU A 62 -5.135 14.336 -2.371 1.00 0.00 O ATOM 0 H GLU A 62 -5.893 11.895 -1.097 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.208 10.897 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.087 13.076 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.771 12.547 -0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.585 14.652 -2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.649 14.972 -0.615 1.00 0.00 H new ATOM 947 N GLY A 63 -7.075 12.946 -4.222 1.00 0.00 N ATOM 948 CA GLY A 63 -7.267 13.422 -5.564 1.00 0.00 C ATOM 949 C GLY A 63 -6.012 13.276 -6.368 1.00 0.00 C ATOM 950 O GLY A 63 -5.766 14.034 -7.299 1.00 0.00 O ATOM 0 H GLY A 63 -6.153 13.144 -3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.075 12.866 -6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.570 14.469 -5.543 1.00 0.00 H new ATOM 954 N GLY A 64 -5.221 12.289 -6.029 1.00 0.00 N ATOM 955 CA GLY A 64 -3.970 12.112 -6.686 1.00 0.00 C ATOM 956 C GLY A 64 -3.937 10.854 -7.507 1.00 0.00 C ATOM 957 O GLY A 64 -4.908 10.091 -7.508 1.00 0.00 O ATOM 0 H GLY A 64 -5.428 11.603 -5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.774 12.970 -7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.172 12.081 -5.944 1.00 0.00 H new ATOM 961 N PRO A 65 -2.773 10.538 -8.096 1.00 0.00 N ATOM 962 CA PRO A 65 -2.615 9.453 -9.077 1.00 0.00 C ATOM 963 C PRO A 65 -2.884 8.109 -8.468 1.00 0.00 C ATOM 964 O PRO A 65 -3.296 7.187 -9.143 1.00 0.00 O ATOM 965 CB PRO A 65 -1.145 9.545 -9.475 1.00 0.00 C ATOM 966 CG PRO A 65 -0.492 10.198 -8.316 1.00 0.00 C ATOM 967 CD PRO A 65 -1.495 11.168 -7.783 1.00 0.00 C ATOM 0 HA PRO A 65 -3.310 9.554 -9.911 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.722 8.559 -9.666 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.015 10.129 -10.386 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.215 9.465 -7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.424 10.707 -8.617 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.375 11.322 -6.711 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.401 12.145 -8.258 1.00 0.00 H new ATOM 975 N ALA A 66 -2.661 8.030 -7.180 1.00 0.00 N ATOM 976 CA ALA A 66 -2.846 6.840 -6.431 1.00 0.00 C ATOM 977 C ALA A 66 -4.278 6.343 -6.550 1.00 0.00 C ATOM 978 O ALA A 66 -4.504 5.253 -7.088 1.00 0.00 O ATOM 979 CB ALA A 66 -2.422 7.063 -5.001 1.00 0.00 C ATOM 0 H ALA A 66 -2.338 8.819 -6.621 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.213 6.052 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.567 6.145 -4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.370 7.345 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.023 7.860 -4.563 1.00 0.00 H new ATOM 985 N GLU A 67 -5.255 7.134 -6.142 1.00 0.00 N ATOM 986 CA GLU A 67 -6.617 6.650 -6.276 1.00 0.00 C ATOM 987 C GLU A 67 -7.190 6.859 -7.668 1.00 0.00 C ATOM 988 O GLU A 67 -8.146 6.183 -8.052 1.00 0.00 O ATOM 989 CB GLU A 67 -7.549 7.150 -5.214 1.00 0.00 C ATOM 990 CG GLU A 67 -7.629 8.635 -5.060 1.00 0.00 C ATOM 991 CD GLU A 67 -8.834 8.976 -4.241 1.00 0.00 C ATOM 992 OE1 GLU A 67 -8.774 8.884 -3.001 1.00 0.00 O ATOM 993 OE2 GLU A 67 -9.895 9.269 -4.834 1.00 0.00 O ATOM 0 H GLU A 67 -5.144 8.063 -5.737 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.536 5.574 -6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.549 6.772 -5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.244 6.721 -4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.727 9.013 -4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.691 9.112 -6.038 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.609 7.785 -8.426 1.00 0.00 N ATOM 1001 CA ILE A 68 -6.992 7.965 -9.823 1.00 0.00 C ATOM 1002 C ILE A 68 -6.709 6.671 -10.592 1.00 0.00 C ATOM 1003 O ILE A 68 -7.459 6.280 -11.492 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.245 9.172 -10.474 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.745 10.510 -9.901 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.330 9.160 -11.997 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.225 10.775 -10.095 1.00 0.00 C ATOM 0 H ILE A 68 -5.878 8.417 -8.100 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.058 8.190 -9.867 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.191 9.063 -10.217 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.523 10.537 -8.834 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.182 11.320 -10.365 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.794 10.020 -12.398 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.882 8.243 -12.379 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.375 9.208 -12.303 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.482 11.740 -9.659 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.456 10.785 -11.160 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.802 9.990 -9.606 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.638 6.008 -10.213 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.293 4.735 -10.797 1.00 0.00 C ATOM 1021 C ALA A 69 -6.098 3.603 -10.175 1.00 0.00 C ATOM 1022 O ALA A 69 -6.743 2.835 -10.892 1.00 0.00 O ATOM 1023 CB ALA A 69 -3.826 4.469 -10.655 1.00 0.00 C ATOM 0 H ALA A 69 -4.988 6.334 -9.498 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.540 4.780 -11.858 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.586 3.504 -11.102 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.263 5.253 -11.161 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.559 4.456 -9.598 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.048 3.483 -8.857 1.00 0.00 N ATOM 1030 CA GLY A 70 -6.814 2.443 -8.197 1.00 0.00 C ATOM 1031 C GLY A 70 -6.201 1.972 -6.895 1.00 0.00 C ATOM 1032 O GLY A 70 -6.411 0.837 -6.484 1.00 0.00 O ATOM 0 H GLY A 70 -5.498 4.078 -8.238 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.821 2.813 -8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.912 1.592 -8.871 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.430 2.823 -6.264 1.00 0.00 N ATOM 1037 CA LEU A 71 -4.823 2.508 -4.992 1.00 0.00 C ATOM 1038 C LEU A 71 -5.664 3.050 -3.878 1.00 0.00 C ATOM 1039 O LEU A 71 -6.015 4.231 -3.878 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.391 3.057 -4.938 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.584 2.904 -3.645 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -2.846 1.550 -3.018 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.155 2.894 -4.045 1.00 0.00 C ATOM 0 H LEU A 71 -5.205 3.753 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.767 1.426 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.825 2.579 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.437 4.120 -5.173 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.846 3.701 -2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.266 1.456 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.907 1.455 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.554 0.764 -3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.530 2.787 -3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.972 2.059 -4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.912 3.829 -4.549 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.031 2.192 -2.972 1.00 0.00 N ATOM 1056 CA GLN A 72 -6.834 2.555 -1.850 1.00 0.00 C ATOM 1057 C GLN A 72 -6.037 2.411 -0.569 1.00 0.00 C ATOM 1058 O GLN A 72 -4.945 1.852 -0.541 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.093 1.672 -1.782 1.00 0.00 C ATOM 1060 CG GLN A 72 -8.951 1.723 -3.023 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.527 3.094 -3.281 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -8.761 3.930 -3.903 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -10.639 3.417 -2.852 1.00 0.00 N flip ATOM 0 H GLN A 72 -5.775 1.205 -2.996 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.139 3.595 -1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.790 0.640 -1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.693 1.980 -0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.356 1.416 -3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.765 1.005 -2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.217 2.731 -2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.980 4.369 -2.984 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.546 2.979 0.445 1.00 0.00 N ATOM 1073 CA ILE A 73 -5.982 2.843 1.768 1.00 0.00 C ATOM 1074 C ILE A 73 -6.324 1.451 2.329 1.00 0.00 C ATOM 1075 O ILE A 73 -7.495 1.074 2.381 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.525 3.940 2.712 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.116 5.325 2.211 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.042 3.725 4.127 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -6.563 6.457 3.100 1.00 0.00 C ATOM 0 H ILE A 73 -7.379 3.566 0.405 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.900 2.956 1.701 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.613 3.877 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.031 5.359 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.529 5.476 1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.439 4.511 4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.386 2.755 4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.953 3.754 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.234 7.405 2.675 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.650 6.452 3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.129 6.334 4.092 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.314 0.704 2.742 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.542 -0.630 3.248 1.00 0.00 C ATOM 1093 C GLY A 74 -5.126 -1.667 2.249 1.00 0.00 C ATOM 1094 O GLY A 74 -5.260 -2.876 2.484 1.00 0.00 O ATOM 0 H GLY A 74 -4.338 0.999 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.986 -0.770 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.598 -0.755 3.488 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.634 -1.197 1.137 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.156 -2.051 0.083 1.00 0.00 C ATOM 1100 C ASP A 75 -2.779 -2.521 0.439 1.00 0.00 C ATOM 1101 O ASP A 75 -1.889 -1.697 0.733 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.112 -1.300 -1.263 1.00 0.00 C ATOM 1103 CG ASP A 75 -5.473 -0.897 -1.808 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -6.475 -0.938 -1.063 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -5.577 -0.506 -3.003 1.00 0.00 O ATOM 0 H ASP A 75 -4.552 -0.201 0.934 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.835 -2.897 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.503 -0.404 -1.144 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.612 -1.930 -1.999 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.593 -3.819 0.475 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.295 -4.366 0.757 1.00 0.00 C ATOM 1112 C LYS A 76 -0.602 -4.606 -0.564 1.00 0.00 C ATOM 1113 O LYS A 76 -1.151 -5.274 -1.452 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.380 -5.645 1.619 1.00 0.00 C ATOM 1115 CG LYS A 76 -2.208 -5.454 2.901 1.00 0.00 C ATOM 1116 CD LYS A 76 -1.773 -6.382 4.034 1.00 0.00 C ATOM 1117 CE LYS A 76 -2.042 -7.831 3.738 1.00 0.00 C ATOM 1118 NZ LYS A 76 -1.531 -8.709 4.806 1.00 0.00 N ATOM 0 H LYS A 76 -3.324 -4.511 0.313 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.714 -3.662 1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.819 -6.447 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.373 -5.962 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.122 -4.419 3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.260 -5.630 2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.708 -6.246 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.295 -6.100 4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.115 -7.986 3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.576 -8.102 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.735 -9.701 4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.503 -8.579 4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.994 -8.467 5.705 1.00 0.00 H new ATOM 1132 N ILE A 77 0.573 -4.055 -0.717 1.00 0.00 N ATOM 1133 CA ILE A 77 1.228 -4.060 -1.995 1.00 0.00 C ATOM 1134 C ILE A 77 2.216 -5.209 -2.095 1.00 0.00 C ATOM 1135 O ILE A 77 3.042 -5.404 -1.212 1.00 0.00 O ATOM 1136 CB ILE A 77 1.999 -2.754 -2.290 1.00 0.00 C ATOM 1137 CG1 ILE A 77 1.228 -1.490 -1.904 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.323 -2.693 -3.755 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.635 -0.933 -0.565 1.00 0.00 C ATOM 0 H ILE A 77 1.096 -3.597 0.030 1.00 0.00 H new ATOM 0 HA ILE A 77 0.427 -4.166 -2.726 1.00 0.00 H new ATOM 0 HB ILE A 77 2.902 -2.779 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.383 -0.729 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.161 -1.713 -1.888 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.867 -1.773 -3.969 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.938 -3.551 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.399 -2.711 -4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.051 -0.038 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.454 -1.678 0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.695 -0.679 -0.583 1.00 0.00 H new ATOM 1151 N MET A 78 2.154 -5.946 -3.185 1.00 0.00 N ATOM 1152 CA MET A 78 3.035 -7.081 -3.374 1.00 0.00 C ATOM 1153 C MET A 78 4.102 -6.766 -4.419 1.00 0.00 C ATOM 1154 O MET A 78 5.212 -7.308 -4.382 1.00 0.00 O ATOM 1155 CB MET A 78 2.235 -8.311 -3.816 1.00 0.00 C ATOM 1156 CG MET A 78 1.114 -8.796 -2.874 1.00 0.00 C ATOM 1157 SD MET A 78 1.654 -9.653 -1.349 1.00 0.00 S ATOM 1158 CE MET A 78 2.271 -8.334 -0.292 1.00 0.00 C ATOM 0 H MET A 78 1.504 -5.780 -3.953 1.00 0.00 H new ATOM 0 HA MET A 78 3.522 -7.292 -2.422 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.790 -8.094 -4.787 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.934 -9.135 -3.962 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.511 -7.935 -2.588 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.464 -9.469 -3.433 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.168 -8.627 0.753 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.322 -8.150 -0.515 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.697 -7.425 -0.472 1.00 0.00 H new ATOM 1168 N GLN A 79 3.788 -5.861 -5.306 1.00 0.00 N ATOM 1169 CA GLN A 79 4.630 -5.547 -6.447 1.00 0.00 C ATOM 1170 C GLN A 79 4.619 -4.045 -6.692 1.00 0.00 C ATOM 1171 O GLN A 79 3.560 -3.442 -6.737 1.00 0.00 O ATOM 1172 CB GLN A 79 4.084 -6.340 -7.647 1.00 0.00 C ATOM 1173 CG GLN A 79 4.706 -6.088 -9.020 1.00 0.00 C ATOM 1174 CD GLN A 79 6.193 -6.171 -9.042 1.00 0.00 C ATOM 1175 OE1 GLN A 79 6.812 -5.050 -9.050 1.00 0.00 O flip ATOM 1176 NE2 GLN A 79 6.771 -7.251 -9.176 1.00 0.00 N flip ATOM 0 H GLN A 79 2.931 -5.310 -5.263 1.00 0.00 H new ATOM 0 HA GLN A 79 5.669 -5.829 -6.276 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.192 -7.401 -7.422 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.016 -6.137 -7.723 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.303 -6.812 -9.728 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.403 -5.100 -9.368 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.237 -8.120 -9.163 1.00 0.00 H new ATOM 0 HE22 GLN A 79 7.783 -7.276 -9.300 1.00 0.00 H new ATOM 1185 N VAL A 80 5.803 -3.453 -6.799 1.00 0.00 N ATOM 1186 CA VAL A 80 5.968 -2.012 -7.013 1.00 0.00 C ATOM 1187 C VAL A 80 7.100 -1.756 -7.974 1.00 0.00 C ATOM 1188 O VAL A 80 8.233 -2.088 -7.684 1.00 0.00 O ATOM 1189 CB VAL A 80 6.286 -1.237 -5.681 1.00 0.00 C ATOM 1190 CG1 VAL A 80 6.720 0.211 -5.933 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.098 -1.245 -4.768 1.00 0.00 C ATOM 0 H VAL A 80 6.686 -3.960 -6.740 1.00 0.00 H new ATOM 0 HA VAL A 80 5.020 -1.651 -7.413 1.00 0.00 H new ATOM 0 HB VAL A 80 7.119 -1.760 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.927 0.700 -4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.620 0.219 -6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.922 0.745 -6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.339 -0.704 -3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.255 -0.763 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.835 -2.274 -4.523 1.00 0.00 H new ATOM 1201 N ASN A 81 6.770 -1.232 -9.128 1.00 0.00 N ATOM 1202 CA ASN A 81 7.732 -0.744 -10.115 1.00 0.00 C ATOM 1203 C ASN A 81 8.760 -1.820 -10.522 1.00 0.00 C ATOM 1204 O ASN A 81 9.954 -1.549 -10.647 1.00 0.00 O ATOM 1205 CB ASN A 81 8.427 0.513 -9.565 1.00 0.00 C ATOM 1206 CG ASN A 81 9.054 1.379 -10.639 1.00 0.00 C ATOM 1207 OD1 ASN A 81 8.441 1.410 -11.792 1.00 0.00 O flip ATOM 1208 ND2 ASN A 81 10.069 2.040 -10.410 1.00 0.00 N flip ATOM 0 H ASN A 81 5.800 -1.125 -9.426 1.00 0.00 H new ATOM 0 HA ASN A 81 7.187 -0.491 -11.025 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.700 1.106 -9.010 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.199 0.211 -8.857 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.517 1.987 -9.495 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.461 2.640 -11.135 1.00 0.00 H new ATOM 1215 N GLY A 82 8.265 -3.026 -10.741 1.00 0.00 N ATOM 1216 CA GLY A 82 9.101 -4.163 -11.121 1.00 0.00 C ATOM 1217 C GLY A 82 9.883 -4.776 -9.957 1.00 0.00 C ATOM 1218 O GLY A 82 10.545 -5.808 -10.111 1.00 0.00 O ATOM 0 H GLY A 82 7.273 -3.250 -10.662 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.470 -4.932 -11.567 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.805 -3.843 -11.890 1.00 0.00 H new ATOM 1222 N TRP A 83 9.780 -4.171 -8.805 1.00 0.00 N ATOM 1223 CA TRP A 83 10.438 -4.646 -7.613 1.00 0.00 C ATOM 1224 C TRP A 83 9.400 -5.326 -6.690 1.00 0.00 C ATOM 1225 O TRP A 83 8.219 -4.927 -6.663 1.00 0.00 O ATOM 1226 CB TRP A 83 11.183 -3.443 -6.945 1.00 0.00 C ATOM 1227 CG TRP A 83 10.848 -3.150 -5.510 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.658 -2.701 -5.026 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.727 -3.217 -4.385 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.727 -2.557 -3.682 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.976 -2.841 -3.265 1.00 0.00 C ATOM 1232 CE3 TRP A 83 13.066 -3.570 -4.207 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.491 -2.804 -2.002 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.592 -3.528 -2.927 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.799 -3.143 -1.837 1.00 0.00 C ATOM 0 H TRP A 83 9.230 -3.323 -8.663 1.00 0.00 H new ATOM 0 HA TRP A 83 11.188 -5.404 -7.840 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.255 -3.628 -7.012 1.00 0.00 H new ATOM 0 HB3 TRP A 83 10.976 -2.548 -7.531 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.786 -2.490 -5.627 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.954 -2.277 -3.079 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.676 -3.868 -5.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.880 -2.515 -1.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.626 -3.795 -2.766 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.234 -3.115 -0.849 1.00 0.00 H new ATOM 1246 N ASP A 84 9.808 -6.334 -5.967 1.00 0.00 N ATOM 1247 CA ASP A 84 8.902 -7.044 -5.087 1.00 0.00 C ATOM 1248 C ASP A 84 8.725 -6.300 -3.766 1.00 0.00 C ATOM 1249 O ASP A 84 9.656 -6.156 -2.971 1.00 0.00 O ATOM 1250 CB ASP A 84 9.315 -8.528 -4.884 1.00 0.00 C ATOM 1251 CG ASP A 84 10.675 -8.745 -4.235 1.00 0.00 C ATOM 1252 OD1 ASP A 84 11.705 -8.311 -4.797 1.00 0.00 O ATOM 1253 OD2 ASP A 84 10.755 -9.426 -3.199 1.00 0.00 O ATOM 0 H ASP A 84 10.765 -6.688 -5.966 1.00 0.00 H new ATOM 0 HA ASP A 84 7.928 -7.072 -5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.557 -9.018 -4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.311 -9.024 -5.854 1.00 0.00 H new ATOM 1258 N MET A 85 7.513 -5.801 -3.561 1.00 0.00 N ATOM 1259 CA MET A 85 7.169 -5.013 -2.371 1.00 0.00 C ATOM 1260 C MET A 85 6.685 -5.932 -1.237 1.00 0.00 C ATOM 1261 O MET A 85 6.465 -5.506 -0.096 1.00 0.00 O ATOM 1262 CB MET A 85 6.113 -3.941 -2.726 1.00 0.00 C ATOM 1263 CG MET A 85 5.703 -3.019 -1.570 1.00 0.00 C ATOM 1264 SD MET A 85 7.070 -2.038 -0.900 1.00 0.00 S ATOM 1265 CE MET A 85 7.395 -0.867 -2.199 1.00 0.00 C ATOM 0 H MET A 85 6.737 -5.928 -4.211 1.00 0.00 H new ATOM 0 HA MET A 85 8.062 -4.497 -2.017 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.501 -3.327 -3.539 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.222 -4.443 -3.103 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.919 -2.345 -1.915 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.275 -3.623 -0.770 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.301 -0.307 -1.966 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.529 -1.397 -3.142 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.555 -0.178 -2.286 1.00 0.00 H new ATOM 1275 N THR A 86 6.500 -7.184 -1.549 1.00 0.00 N ATOM 1276 CA THR A 86 6.184 -8.132 -0.527 1.00 0.00 C ATOM 1277 C THR A 86 7.445 -8.337 0.340 1.00 0.00 C ATOM 1278 O THR A 86 8.562 -8.379 -0.182 1.00 0.00 O ATOM 1279 CB THR A 86 5.658 -9.491 -1.111 1.00 0.00 C ATOM 1280 OG1 THR A 86 5.222 -10.357 -0.049 1.00 0.00 O ATOM 1281 CG2 THR A 86 6.724 -10.210 -1.936 1.00 0.00 C ATOM 0 H THR A 86 6.562 -7.566 -2.493 1.00 0.00 H new ATOM 0 HA THR A 86 5.369 -7.743 0.083 1.00 0.00 H new ATOM 0 HB THR A 86 4.820 -9.253 -1.766 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.895 -11.200 -0.427 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.317 -11.145 -2.321 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.028 -9.577 -2.769 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.589 -10.422 -1.307 1.00 0.00 H new ATOM 1289 N MET A 87 7.252 -8.386 1.652 1.00 0.00 N ATOM 1290 CA MET A 87 8.329 -8.583 2.631 1.00 0.00 C ATOM 1291 C MET A 87 9.486 -7.554 2.472 1.00 0.00 C ATOM 1292 O MET A 87 10.544 -7.857 1.919 1.00 0.00 O ATOM 1293 CB MET A 87 8.846 -10.044 2.595 1.00 0.00 C ATOM 1294 CG MET A 87 9.848 -10.410 3.685 1.00 0.00 C ATOM 1295 SD MET A 87 10.349 -12.139 3.600 1.00 0.00 S ATOM 1296 CE MET A 87 11.476 -12.243 4.988 1.00 0.00 C ATOM 0 H MET A 87 6.331 -8.289 2.079 1.00 0.00 H new ATOM 0 HA MET A 87 7.901 -8.400 3.617 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.991 -10.716 2.670 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.308 -10.224 1.625 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.729 -9.774 3.595 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.409 -10.209 4.662 1.00 0.00 H new ATOM 0 HE1 MET A 87 11.868 -13.257 5.063 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.300 -11.545 4.841 1.00 0.00 H new ATOM 0 HE3 MET A 87 10.946 -11.990 5.906 1.00 0.00 H new ATOM 1306 N VAL A 88 9.236 -6.340 2.904 1.00 0.00 N ATOM 1307 CA VAL A 88 10.216 -5.256 2.881 1.00 0.00 C ATOM 1308 C VAL A 88 9.857 -4.288 3.970 1.00 0.00 C ATOM 1309 O VAL A 88 8.685 -4.221 4.391 1.00 0.00 O ATOM 1310 CB VAL A 88 10.287 -4.534 1.494 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.941 -4.007 1.085 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.312 -3.406 1.506 1.00 0.00 C ATOM 0 H VAL A 88 8.333 -6.064 3.290 1.00 0.00 H new ATOM 0 HA VAL A 88 11.209 -5.675 3.047 1.00 0.00 H new ATOM 0 HB VAL A 88 10.604 -5.276 0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.023 -3.511 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.234 -4.833 1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.588 -3.294 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.336 -2.926 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.037 -2.672 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.297 -3.812 1.735 1.00 0.00 H new ATOM 1322 N THR A 89 10.852 -3.638 4.506 1.00 0.00 N ATOM 1323 CA THR A 89 10.696 -2.723 5.562 1.00 0.00 C ATOM 1324 C THR A 89 10.018 -1.486 5.132 1.00 0.00 C ATOM 1325 O THR A 89 10.064 -1.113 3.966 1.00 0.00 O ATOM 1326 CB THR A 89 12.046 -2.364 6.108 1.00 0.00 C ATOM 1327 OG1 THR A 89 13.059 -2.935 5.264 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.165 -2.871 7.494 1.00 0.00 C ATOM 0 H THR A 89 11.818 -3.746 4.198 1.00 0.00 H new ATOM 0 HA THR A 89 10.079 -3.202 6.322 1.00 0.00 H new ATOM 0 HB THR A 89 12.173 -1.282 6.125 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.817 -2.317 5.198 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.145 -2.611 7.893 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.390 -2.421 8.114 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.048 -3.955 7.496 1.00 0.00 H new ATOM 1336 N HIS A 90 9.399 -0.851 6.087 1.00 0.00 N ATOM 1337 CA HIS A 90 8.760 0.421 5.880 1.00 0.00 C ATOM 1338 C HIS A 90 9.789 1.402 5.344 1.00 0.00 C ATOM 1339 O HIS A 90 9.549 2.079 4.367 1.00 0.00 O ATOM 1340 CB HIS A 90 8.133 0.908 7.210 1.00 0.00 C ATOM 1341 CG HIS A 90 7.441 2.236 7.168 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.104 2.379 7.382 1.00 0.00 N ATOM 1343 CD2 HIS A 90 7.908 3.485 6.905 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.788 3.649 7.227 1.00 0.00 C ATOM 1345 NE2 HIS A 90 6.848 4.376 6.946 1.00 0.00 N ATOM 0 H HIS A 90 9.322 -1.204 7.041 1.00 0.00 H new ATOM 0 HA HIS A 90 7.955 0.336 5.150 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.416 0.159 7.545 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.920 0.955 7.963 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.937 3.741 6.698 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.787 4.043 7.319 1.00 0.00 H new ATOM 0 HE2 HIS A 90 6.882 5.384 6.791 1.00 0.00 H new ATOM 1353 N ASP A 91 10.953 1.379 5.948 1.00 0.00 N ATOM 1354 CA ASP A 91 12.063 2.258 5.593 1.00 0.00 C ATOM 1355 C ASP A 91 12.485 2.043 4.136 1.00 0.00 C ATOM 1356 O ASP A 91 12.505 2.980 3.329 1.00 0.00 O ATOM 1357 CB ASP A 91 13.239 1.964 6.518 1.00 0.00 C ATOM 1358 CG ASP A 91 14.400 2.917 6.318 1.00 0.00 C ATOM 1359 OD1 ASP A 91 14.445 3.970 6.987 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.287 2.628 5.508 1.00 0.00 O ATOM 0 H ASP A 91 11.168 0.741 6.714 1.00 0.00 H new ATOM 0 HA ASP A 91 11.746 3.295 5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.903 2.021 7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.581 0.943 6.349 1.00 0.00 H new ATOM 1365 N GLN A 92 12.743 0.789 3.800 1.00 0.00 N ATOM 1366 CA GLN A 92 13.202 0.406 2.469 1.00 0.00 C ATOM 1367 C GLN A 92 12.133 0.650 1.404 1.00 0.00 C ATOM 1368 O GLN A 92 12.445 0.989 0.257 1.00 0.00 O ATOM 1369 CB GLN A 92 13.678 -1.065 2.447 1.00 0.00 C ATOM 1370 CG GLN A 92 15.194 -1.247 2.591 1.00 0.00 C ATOM 1371 CD GLN A 92 15.785 -0.808 3.932 1.00 0.00 C ATOM 1372 OE1 GLN A 92 15.109 -1.084 5.017 1.00 0.00 O flip ATOM 1373 NE2 GLN A 92 16.919 -0.323 3.978 1.00 0.00 N flip ATOM 0 H GLN A 92 12.640 0.004 4.443 1.00 0.00 H new ATOM 0 HA GLN A 92 14.052 1.043 2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.182 -1.606 3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.357 -1.523 1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.433 -2.299 2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.687 -0.688 1.796 1.00 0.00 H new ATOM 0 HE21 GLN A 92 17.422 -0.118 3.114 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.354 -0.127 4.880 1.00 0.00 H new ATOM 1382 N ALA A 93 10.893 0.510 1.793 1.00 0.00 N ATOM 1383 CA ALA A 93 9.776 0.696 0.897 1.00 0.00 C ATOM 1384 C ALA A 93 9.477 2.158 0.668 1.00 0.00 C ATOM 1385 O ALA A 93 9.115 2.554 -0.437 1.00 0.00 O ATOM 1386 CB ALA A 93 8.567 0.018 1.438 1.00 0.00 C ATOM 0 H ALA A 93 10.625 0.262 2.746 1.00 0.00 H new ATOM 0 HA ALA A 93 10.049 0.254 -0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.731 0.165 0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.765 -1.048 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.318 0.440 2.412 1.00 0.00 H new ATOM 1392 N ARG A 94 9.623 2.962 1.716 1.00 0.00 N ATOM 1393 CA ARG A 94 9.390 4.414 1.631 1.00 0.00 C ATOM 1394 C ARG A 94 10.218 5.022 0.513 1.00 0.00 C ATOM 1395 O ARG A 94 9.706 5.707 -0.357 1.00 0.00 O ATOM 1396 CB ARG A 94 9.678 5.108 2.977 1.00 0.00 C ATOM 1397 CG ARG A 94 8.580 4.956 4.000 1.00 0.00 C ATOM 1398 CD ARG A 94 7.344 5.766 3.644 1.00 0.00 C ATOM 1399 NE ARG A 94 7.571 7.199 3.819 1.00 0.00 N ATOM 1400 CZ ARG A 94 6.657 8.171 3.689 1.00 0.00 C ATOM 1401 NH1 ARG A 94 5.411 7.884 3.298 1.00 0.00 N ATOM 1402 NH2 ARG A 94 7.002 9.427 3.928 1.00 0.00 N ATOM 0 H ARG A 94 9.903 2.638 2.642 1.00 0.00 H new ATOM 0 HA ARG A 94 8.337 4.574 1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.602 4.704 3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.846 6.170 2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.310 3.904 4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.949 5.271 4.976 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.062 5.565 2.610 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.509 5.450 4.269 1.00 0.00 H new ATOM 0 HE ARG A 94 8.518 7.488 4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.149 6.919 3.096 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.722 8.630 3.202 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.957 9.649 4.209 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.313 10.172 3.831 1.00 0.00 H new ATOM 1416 N LYS A 95 11.436 4.619 0.446 1.00 0.00 N ATOM 1417 CA LYS A 95 12.380 5.115 -0.535 1.00 0.00 C ATOM 1418 C LYS A 95 12.251 4.338 -1.839 1.00 0.00 C ATOM 1419 O LYS A 95 13.200 4.185 -2.597 1.00 0.00 O ATOM 1420 CB LYS A 95 13.781 5.023 0.050 1.00 0.00 C ATOM 1421 CG LYS A 95 14.039 6.084 1.110 1.00 0.00 C ATOM 1422 CD LYS A 95 15.286 5.804 1.931 1.00 0.00 C ATOM 1423 CE LYS A 95 15.049 4.675 2.918 1.00 0.00 C ATOM 1424 NZ LYS A 95 16.196 4.456 3.811 1.00 0.00 N ATOM 0 H LYS A 95 11.829 3.921 1.077 1.00 0.00 H new ATOM 0 HA LYS A 95 12.169 6.158 -0.770 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.925 4.035 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.513 5.128 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 95 14.138 7.057 0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 95 13.177 6.144 1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 95 16.111 5.544 1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 95 15.581 6.705 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 95 14.165 4.899 3.516 1.00 0.00 H new ATOM 0 HE3 LYS A 95 14.839 3.756 2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.925 3.798 4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 16.986 4.053 3.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.489 5.362 4.228 1.00 0.00 H new ATOM 1438 N ARG A 96 11.041 3.919 -2.116 1.00 0.00 N ATOM 1439 CA ARG A 96 10.736 3.161 -3.283 1.00 0.00 C ATOM 1440 C ARG A 96 9.378 3.570 -3.814 1.00 0.00 C ATOM 1441 O ARG A 96 9.203 3.742 -5.004 1.00 0.00 O ATOM 1442 CB ARG A 96 10.786 1.656 -2.989 1.00 0.00 C ATOM 1443 CG ARG A 96 10.581 0.753 -4.200 1.00 0.00 C ATOM 1444 CD ARG A 96 11.687 0.924 -5.235 1.00 0.00 C ATOM 1445 NE ARG A 96 13.024 0.701 -4.656 1.00 0.00 N ATOM 1446 CZ ARG A 96 14.091 0.240 -5.321 1.00 0.00 C ATOM 1447 NH1 ARG A 96 14.002 -0.090 -6.609 1.00 0.00 N ATOM 1448 NH2 ARG A 96 15.245 0.107 -4.685 1.00 0.00 N ATOM 0 H ARG A 96 10.233 4.103 -1.521 1.00 0.00 H new ATOM 0 HA ARG A 96 11.487 3.368 -4.046 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.751 1.421 -2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.023 1.421 -2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.547 -0.287 -3.875 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.618 0.975 -4.659 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.526 0.225 -6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.637 1.928 -5.656 1.00 0.00 H new ATOM 0 HE ARG A 96 13.147 0.916 -3.666 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.113 0.007 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.823 -0.440 -7.104 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.315 0.355 -3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 96 16.064 -0.243 -5.182 1.00 0.00 H new ATOM 1462 N LEU A 97 8.430 3.728 -2.924 1.00 0.00 N ATOM 1463 CA LEU A 97 7.092 4.140 -3.321 1.00 0.00 C ATOM 1464 C LEU A 97 6.798 5.606 -3.073 1.00 0.00 C ATOM 1465 O LEU A 97 5.865 6.143 -3.598 1.00 0.00 O ATOM 1466 CB LEU A 97 6.056 3.252 -2.687 1.00 0.00 C ATOM 1467 CG LEU A 97 6.268 2.892 -1.230 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.094 4.084 -0.295 1.00 0.00 C ATOM 1469 CD2 LEU A 97 5.352 1.798 -0.860 1.00 0.00 C ATOM 0 H LEU A 97 8.552 3.580 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 97 7.045 4.021 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.086 3.741 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.003 2.327 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 97 7.301 2.565 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.258 3.766 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.816 4.858 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.084 4.481 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.502 1.537 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.321 2.120 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.554 0.927 -1.484 1.00 0.00 H new ATOM 1481 N THR A 98 7.523 6.219 -2.209 1.00 0.00 N ATOM 1482 CA THR A 98 7.338 7.639 -2.058 1.00 0.00 C ATOM 1483 C THR A 98 8.622 8.371 -2.454 1.00 0.00 C ATOM 1484 O THR A 98 8.816 9.562 -2.134 1.00 0.00 O ATOM 1485 CB THR A 98 6.780 8.038 -0.640 1.00 0.00 C ATOM 1486 OG1 THR A 98 6.384 9.418 -0.595 1.00 0.00 O ATOM 1487 CG2 THR A 98 7.776 7.783 0.451 1.00 0.00 C ATOM 0 H THR A 98 8.229 5.791 -1.610 1.00 0.00 H new ATOM 0 HA THR A 98 6.555 7.964 -2.743 1.00 0.00 H new ATOM 0 HB THR A 98 5.907 7.407 -0.474 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.078 9.971 -1.011 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.347 8.073 1.410 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.029 6.723 0.472 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.677 8.367 0.265 1.00 0.00 H new ATOM 1495 N LYS A 99 9.522 7.633 -3.153 1.00 0.00 N ATOM 1496 CA LYS A 99 10.681 8.250 -3.783 1.00 0.00 C ATOM 1497 C LYS A 99 10.200 9.249 -4.854 1.00 0.00 C ATOM 1498 O LYS A 99 9.097 9.128 -5.362 1.00 0.00 O ATOM 1499 CB LYS A 99 11.607 7.207 -4.445 1.00 0.00 C ATOM 1500 CG LYS A 99 10.931 6.370 -5.534 1.00 0.00 C ATOM 1501 CD LYS A 99 11.945 5.741 -6.504 1.00 0.00 C ATOM 1502 CE LYS A 99 12.863 4.742 -5.832 1.00 0.00 C ATOM 1503 NZ LYS A 99 13.935 4.267 -6.735 1.00 0.00 N ATOM 0 H LYS A 99 9.455 6.624 -3.284 1.00 0.00 H new ATOM 0 HA LYS A 99 11.252 8.757 -3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.465 7.722 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.992 6.538 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.340 5.581 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.238 6.998 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.407 5.246 -7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 99 12.545 6.531 -6.957 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.311 5.200 -4.950 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.278 3.890 -5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.537 3.586 -6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.511 3.806 -7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.511 5.075 -7.045 1.00 0.00 H new ATOM 1517 N ARG A 100 11.039 10.190 -5.216 1.00 0.00 N ATOM 1518 CA ARG A 100 10.637 11.225 -6.178 1.00 0.00 C ATOM 1519 C ARG A 100 11.429 11.095 -7.458 1.00 0.00 C ATOM 1520 O ARG A 100 11.348 11.937 -8.359 1.00 0.00 O ATOM 1521 CB ARG A 100 10.835 12.620 -5.588 1.00 0.00 C ATOM 1522 CG ARG A 100 12.239 12.903 -5.134 1.00 0.00 C ATOM 1523 CD ARG A 100 12.420 14.360 -4.782 1.00 0.00 C ATOM 1524 NE ARG A 100 13.811 14.657 -4.492 1.00 0.00 N ATOM 1525 CZ ARG A 100 14.388 15.856 -4.616 1.00 0.00 C ATOM 1526 NH1 ARG A 100 13.658 16.936 -4.942 1.00 0.00 N ATOM 1527 NH2 ARG A 100 15.690 15.974 -4.397 1.00 0.00 N ATOM 0 H ARG A 100 11.996 10.273 -4.872 1.00 0.00 H new ATOM 0 HA ARG A 100 9.579 11.085 -6.399 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.550 13.362 -6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.159 12.744 -4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.474 12.286 -4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.940 12.627 -5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.076 14.983 -5.608 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.804 14.608 -3.918 1.00 0.00 H new ATOM 0 HE ARG A 100 14.396 13.887 -4.167 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.654 16.845 -5.097 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.108 17.847 -5.034 1.00 0.00 H new ATOM 0 HH21 ARG A 100 16.240 15.155 -4.137 1.00 0.00 H new ATOM 0 HH22 ARG A 100 16.142 16.884 -4.488 1.00 0.00 H new ATOM 1541 N SER A 101 12.195 10.049 -7.515 1.00 0.00 N ATOM 1542 CA SER A 101 13.044 9.763 -8.629 1.00 0.00 C ATOM 1543 C SER A 101 12.234 9.146 -9.770 1.00 0.00 C ATOM 1544 O SER A 101 12.501 9.380 -10.952 1.00 0.00 O ATOM 1545 CB SER A 101 14.074 8.781 -8.152 1.00 0.00 C ATOM 1546 OG SER A 101 14.750 9.264 -6.994 1.00 0.00 O ATOM 0 H SER A 101 12.248 9.354 -6.770 1.00 0.00 H new ATOM 0 HA SER A 101 13.509 10.675 -9.002 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.595 7.829 -7.926 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.797 8.593 -8.946 1.00 0.00 H new ATOM 0 HG SER A 101 15.414 8.604 -6.704 1.00 0.00 H new ATOM 1552 N GLU A 102 11.247 8.374 -9.410 1.00 0.00 N ATOM 1553 CA GLU A 102 10.426 7.720 -10.381 1.00 0.00 C ATOM 1554 C GLU A 102 9.093 8.444 -10.488 1.00 0.00 C ATOM 1555 O GLU A 102 8.586 8.957 -9.499 1.00 0.00 O ATOM 1556 CB GLU A 102 10.249 6.234 -10.035 1.00 0.00 C ATOM 1557 CG GLU A 102 9.556 5.433 -11.126 1.00 0.00 C ATOM 1558 CD GLU A 102 10.255 5.565 -12.453 1.00 0.00 C ATOM 1559 OE1 GLU A 102 9.982 6.546 -13.186 1.00 0.00 O ATOM 1560 OE2 GLU A 102 11.102 4.697 -12.791 1.00 0.00 O ATOM 0 H GLU A 102 10.993 8.183 -8.441 1.00 0.00 H new ATOM 0 HA GLU A 102 10.914 7.760 -11.355 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.228 5.796 -9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.673 6.150 -9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.521 4.382 -10.838 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.524 5.771 -11.224 1.00 0.00 H new ATOM 1567 N GLU A 103 8.559 8.501 -11.688 1.00 0.00 N ATOM 1568 CA GLU A 103 7.325 9.217 -11.952 1.00 0.00 C ATOM 1569 C GLU A 103 6.134 8.290 -12.037 1.00 0.00 C ATOM 1570 O GLU A 103 5.115 8.514 -11.398 1.00 0.00 O ATOM 1571 CB GLU A 103 7.447 10.051 -13.225 1.00 0.00 C ATOM 1572 CG GLU A 103 8.021 9.323 -14.412 1.00 0.00 C ATOM 1573 CD GLU A 103 8.222 10.227 -15.595 1.00 0.00 C ATOM 1574 OE1 GLU A 103 9.000 11.191 -15.492 1.00 0.00 O ATOM 1575 OE2 GLU A 103 7.567 10.013 -16.643 1.00 0.00 O ATOM 0 H GLU A 103 8.966 8.054 -12.509 1.00 0.00 H new ATOM 0 HA GLU A 103 7.155 9.885 -11.108 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.459 10.426 -13.491 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.071 10.919 -13.014 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.975 8.875 -14.134 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.355 8.506 -14.691 1.00 0.00 H new ATOM 1582 N VAL A 104 6.245 7.303 -12.869 1.00 0.00 N ATOM 1583 CA VAL A 104 5.227 6.342 -13.034 1.00 0.00 C ATOM 1584 C VAL A 104 5.699 4.943 -12.736 1.00 0.00 C ATOM 1585 O VAL A 104 6.733 4.487 -13.234 1.00 0.00 O ATOM 1586 CB VAL A 104 4.467 6.483 -14.382 1.00 0.00 C ATOM 1587 CG1 VAL A 104 5.369 6.677 -15.554 1.00 0.00 C ATOM 1588 CG2 VAL A 104 3.518 5.335 -14.629 1.00 0.00 C ATOM 0 H VAL A 104 7.064 7.149 -13.458 1.00 0.00 H new ATOM 0 HA VAL A 104 4.476 6.557 -12.274 1.00 0.00 H new ATOM 0 HB VAL A 104 3.879 7.395 -14.279 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.772 6.768 -16.461 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.957 7.584 -15.414 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.038 5.821 -15.644 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.012 5.480 -15.583 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.077 4.400 -14.654 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.779 5.295 -13.829 1.00 0.00 H new ATOM 1598 N VAL A 105 4.944 4.287 -11.892 1.00 0.00 N ATOM 1599 CA VAL A 105 5.264 2.985 -11.381 1.00 0.00 C ATOM 1600 C VAL A 105 4.103 2.019 -11.598 1.00 0.00 C ATOM 1601 O VAL A 105 2.930 2.424 -11.569 1.00 0.00 O ATOM 1602 CB VAL A 105 5.540 3.069 -9.860 1.00 0.00 C ATOM 1603 CG1 VAL A 105 6.794 3.875 -9.571 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.358 3.713 -9.160 1.00 0.00 C ATOM 0 H VAL A 105 4.064 4.658 -11.533 1.00 0.00 H new ATOM 0 HA VAL A 105 6.146 2.625 -11.911 1.00 0.00 H new ATOM 0 HB VAL A 105 5.688 2.055 -9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.960 3.915 -8.495 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.650 3.402 -10.053 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.673 4.887 -9.958 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.556 3.770 -8.090 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.204 4.717 -9.555 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.463 3.115 -9.332 1.00 0.00 H new ATOM 1614 N ARG A 106 4.426 0.765 -11.825 1.00 0.00 N ATOM 1615 CA ARG A 106 3.415 -0.274 -11.924 1.00 0.00 C ATOM 1616 C ARG A 106 3.355 -1.030 -10.611 1.00 0.00 C ATOM 1617 O ARG A 106 4.329 -1.649 -10.196 1.00 0.00 O ATOM 1618 CB ARG A 106 3.740 -1.236 -13.049 1.00 0.00 C ATOM 1619 CG ARG A 106 3.763 -0.603 -14.412 1.00 0.00 C ATOM 1620 CD ARG A 106 4.293 -1.562 -15.461 1.00 0.00 C ATOM 1621 NE ARG A 106 3.561 -2.840 -15.500 1.00 0.00 N ATOM 1622 CZ ARG A 106 3.612 -3.709 -16.520 1.00 0.00 C ATOM 1623 NH1 ARG A 106 4.220 -3.375 -17.658 1.00 0.00 N ATOM 1624 NH2 ARG A 106 3.019 -4.895 -16.415 1.00 0.00 N ATOM 0 H ARG A 106 5.384 0.435 -11.945 1.00 0.00 H new ATOM 0 HA ARG A 106 2.451 0.189 -12.136 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.712 -1.690 -12.855 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.006 -2.042 -13.047 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.756 -0.285 -14.684 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.385 0.292 -14.388 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.235 -1.087 -16.441 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.347 -1.760 -15.264 1.00 0.00 H new ATOM 0 HE ARG A 106 2.977 -3.079 -14.699 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.649 -2.455 -17.756 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.256 -4.040 -18.431 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.525 -5.144 -15.558 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.058 -5.555 -17.191 1.00 0.00 H new ATOM 1638 N LEU A 107 2.256 -0.938 -9.940 1.00 0.00 N ATOM 1639 CA LEU A 107 2.084 -1.574 -8.670 1.00 0.00 C ATOM 1640 C LEU A 107 1.020 -2.645 -8.789 1.00 0.00 C ATOM 1641 O LEU A 107 0.207 -2.617 -9.710 1.00 0.00 O ATOM 1642 CB LEU A 107 1.573 -0.559 -7.662 1.00 0.00 C ATOM 1643 CG LEU A 107 2.183 0.835 -7.699 1.00 0.00 C ATOM 1644 CD1 LEU A 107 1.544 1.692 -6.651 1.00 0.00 C ATOM 1645 CD2 LEU A 107 3.666 0.799 -7.496 1.00 0.00 C ATOM 0 H LEU A 107 1.441 -0.414 -10.258 1.00 0.00 H new ATOM 0 HA LEU A 107 3.039 -1.995 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.497 -0.459 -7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.729 -0.968 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 107 1.996 1.257 -8.686 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.983 2.689 -6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.473 1.761 -6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.711 1.250 -5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.063 1.814 -7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.890 0.354 -6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.127 0.203 -8.284 1.00 0.00 H new ATOM 1657 N LEU A 108 1.029 -3.561 -7.871 1.00 0.00 N ATOM 1658 CA LEU A 108 0.007 -4.576 -7.743 1.00 0.00 C ATOM 1659 C LEU A 108 -0.329 -4.733 -6.281 1.00 0.00 C ATOM 1660 O LEU A 108 0.567 -4.998 -5.446 1.00 0.00 O ATOM 1661 CB LEU A 108 0.440 -5.929 -8.316 1.00 0.00 C ATOM 1662 CG LEU A 108 -0.277 -6.402 -9.586 1.00 0.00 C ATOM 1663 CD1 LEU A 108 0.195 -5.631 -10.802 1.00 0.00 C ATOM 1664 CD2 LEU A 108 -0.091 -7.892 -9.794 1.00 0.00 C ATOM 0 H LEU A 108 1.763 -3.633 -7.167 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.861 -4.253 -8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.509 -5.883 -8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.299 -6.686 -7.544 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.341 -6.207 -9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.331 -5.989 -11.687 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.010 -4.570 -10.662 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.267 -5.779 -10.933 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.610 -8.200 -10.702 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.971 -8.116 -9.889 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.501 -8.432 -8.941 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.582 -4.564 -5.965 1.00 0.00 N ATOM 1677 CA VAL A 109 -2.051 -4.639 -4.593 1.00 0.00 C ATOM 1678 C VAL A 109 -3.104 -5.717 -4.477 1.00 0.00 C ATOM 1679 O VAL A 109 -3.695 -6.129 -5.488 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.636 -3.289 -4.085 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.603 -2.181 -4.150 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -3.885 -2.893 -4.851 1.00 0.00 C ATOM 0 H VAL A 109 -2.316 -4.370 -6.647 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.189 -4.876 -3.970 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.916 -3.437 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.043 -1.252 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.748 -2.444 -3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.275 -2.050 -5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.263 -1.946 -4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.644 -2.785 -5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.646 -3.663 -4.729 1.00 0.00 H new ATOM 1692 N THR A 110 -3.330 -6.191 -3.288 1.00 0.00 N ATOM 1693 CA THR A 110 -4.290 -7.224 -3.085 1.00 0.00 C ATOM 1694 C THR A 110 -5.500 -6.719 -2.278 1.00 0.00 C ATOM 1695 O THR A 110 -5.356 -5.973 -1.307 1.00 0.00 O ATOM 1696 CB THR A 110 -3.637 -8.437 -2.390 1.00 0.00 C ATOM 1697 OG1 THR A 110 -3.080 -8.023 -1.127 1.00 0.00 O ATOM 1698 CG2 THR A 110 -2.518 -8.987 -3.251 1.00 0.00 C ATOM 0 H THR A 110 -2.857 -5.874 -2.442 1.00 0.00 H new ATOM 0 HA THR A 110 -4.656 -7.538 -4.063 1.00 0.00 H new ATOM 0 HB THR A 110 -4.395 -9.205 -2.236 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.666 -8.793 -0.684 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.063 -9.843 -2.753 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.920 -9.300 -4.215 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.765 -8.214 -3.406 1.00 0.00 H new