USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 772 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 80 LYS NZ :NH3+ -108:sc= 0.816 (180deg=-0.164) USER MOD Set 1.2: A 81 GLN : amide:sc= 0.438 K(o=1.3,f=-6.3!) USER MOD Set 2.1: A 31 TYR OH : rot 150:sc= 0.81 USER MOD Set 2.2: A 82 TYR OH : rot 16:sc= 2.02 USER MOD Set 3.1: A 24 LYS NZ :NH3+ 179:sc= 1.21 (180deg=-0.00386) USER MOD Set 3.2: A 26 THR OG1 : rot -82:sc= 0.698 USER MOD Set 4.1: A 14 LYS NZ :NH3+ 163:sc= 1.84 (180deg=0.52) USER MOD Set 4.2: A 49 ASN : amide:sc= 0.716 K(o=2.6,f=-6.4!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.073) USER MOD Single : A 19 SER OG : rot 74:sc= 0.425 USER MOD Single : A 23 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 77:sc= 0.675 USER MOD Single : A 41 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.18) USER MOD Single : A 57 THR OG1 : rot -103:sc= 0.00839 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0152) USER MOD Single : A 69 LYS NZ :NH3+ -168:sc= -0.0239 (180deg=-0.183) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -175:sc= -1.34 (180deg=-1.61) USER MOD Single : A 84 THR OG1 : rot 62:sc= 1.23 USER MOD Single : A 87 MET CE :methyl -168:sc= -4.23! (180deg=-4.34!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.017) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -0.0279 (180deg=-0.206) USER MOD Single : A 95 MET CE :methyl 172:sc= -5.47! (180deg=-6.55!) USER MOD Single : A 99 ASN : amide:sc= -0.234 K(o=-0.23,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 172 N ARG A 11 -14.085 5.198 -2.014 1.00 0.00 N ATOM 173 CA ARG A 11 -12.792 5.605 -1.472 1.00 0.00 C ATOM 174 C ARG A 11 -12.098 4.446 -0.762 1.00 0.00 C ATOM 175 O ARG A 11 -11.143 4.647 -0.013 1.00 0.00 O ATOM 176 CB ARG A 11 -12.980 6.760 -0.493 1.00 0.00 C ATOM 177 CG ARG A 11 -13.562 8.017 -1.120 1.00 0.00 C ATOM 178 CD ARG A 11 -14.025 8.978 -0.042 1.00 0.00 C ATOM 179 NE ARG A 11 -14.926 8.296 0.890 1.00 0.00 N ATOM 180 CZ ARG A 11 -15.112 8.643 2.162 1.00 0.00 C ATOM 181 NH1 ARG A 11 -14.605 9.773 2.637 1.00 0.00 N ATOM 182 NH2 ARG A 11 -15.840 7.863 2.952 1.00 0.00 N ATOM 0 HA ARG A 11 -12.165 5.923 -2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.634 6.434 0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.016 7.003 -0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.813 8.498 -1.748 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.399 7.755 -1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.164 9.374 0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.535 9.828 -0.496 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.450 7.495 0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.066 10.387 2.026 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.754 10.028 3.613 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.252 7.006 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.988 8.121 3.928 1.00 0.00 H new ATOM 196 N ALA A 12 -12.585 3.236 -0.998 1.00 0.00 N ATOM 197 CA ALA A 12 -11.991 2.053 -0.401 1.00 0.00 C ATOM 198 C ALA A 12 -10.575 1.856 -0.916 1.00 0.00 C ATOM 199 O ALA A 12 -10.315 2.018 -2.112 1.00 0.00 O ATOM 200 CB ALA A 12 -12.839 0.825 -0.687 1.00 0.00 C ATOM 0 H ALA A 12 -13.389 3.050 -1.598 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.950 2.195 0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.377 -0.051 -0.231 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.836 0.967 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.913 0.677 -1.764 1.00 0.00 H new ATOM 206 N PHE A 13 -9.673 1.498 -0.010 1.00 0.00 N ATOM 207 CA PHE A 13 -8.256 1.369 -0.327 1.00 0.00 C ATOM 208 C PHE A 13 -8.032 0.477 -1.548 1.00 0.00 C ATOM 209 O PHE A 13 -7.250 0.820 -2.424 1.00 0.00 O ATOM 210 CB PHE A 13 -7.496 0.813 0.879 1.00 0.00 C ATOM 211 CG PHE A 13 -6.002 0.925 0.765 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.256 -0.081 0.171 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.342 2.038 1.258 1.00 0.00 C ATOM 214 CE1 PHE A 13 -3.882 0.024 0.071 1.00 0.00 C ATOM 215 CE2 PHE A 13 -3.969 2.148 1.161 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.238 1.140 0.568 1.00 0.00 C ATOM 0 H PHE A 13 -9.902 1.290 0.962 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.876 2.362 -0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.822 1.340 1.775 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.762 -0.236 1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.754 -0.957 -0.218 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.909 2.830 1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.312 -0.766 -0.395 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.468 3.023 1.549 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.164 1.223 0.492 1.00 0.00 H new ATOM 226 N LYS A 14 -8.738 -0.651 -1.616 1.00 0.00 N ATOM 227 CA LYS A 14 -8.559 -1.587 -2.724 1.00 0.00 C ATOM 228 C LYS A 14 -9.017 -0.982 -4.053 1.00 0.00 C ATOM 229 O LYS A 14 -8.413 -1.227 -5.093 1.00 0.00 O ATOM 230 CB LYS A 14 -9.292 -2.910 -2.458 1.00 0.00 C ATOM 231 CG LYS A 14 -10.778 -2.764 -2.158 1.00 0.00 C ATOM 232 CD LYS A 14 -11.467 -4.121 -2.122 1.00 0.00 C ATOM 233 CE LYS A 14 -12.922 -4.008 -1.693 1.00 0.00 C ATOM 234 NZ LYS A 14 -13.058 -3.682 -0.247 1.00 0.00 N ATOM 0 H LYS A 14 -9.432 -0.937 -0.925 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.491 -1.794 -2.799 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.172 -3.557 -3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.813 -3.413 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.911 -2.260 -1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.245 -2.136 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.414 -4.581 -3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.936 -4.779 -1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.415 -3.237 -2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.435 -4.947 -1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.020 -3.335 -0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.881 -4.536 0.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.368 -2.947 0.010 1.00 0.00 H new ATOM 248 N THR A 15 -10.070 -0.177 -4.009 1.00 0.00 N ATOM 249 CA THR A 15 -10.604 0.455 -5.208 1.00 0.00 C ATOM 250 C THR A 15 -9.691 1.589 -5.671 1.00 0.00 C ATOM 251 O THR A 15 -9.399 1.734 -6.863 1.00 0.00 O ATOM 252 CB THR A 15 -12.020 1.001 -4.945 1.00 0.00 C ATOM 253 OG1 THR A 15 -12.845 -0.045 -4.419 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.647 1.553 -6.219 1.00 0.00 C ATOM 0 H THR A 15 -10.573 0.054 -3.152 1.00 0.00 H new ATOM 0 HA THR A 15 -10.655 -0.299 -5.994 1.00 0.00 H new ATOM 0 HB THR A 15 -11.943 1.815 -4.224 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.746 0.302 -4.250 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.646 1.930 -5.999 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.030 2.364 -6.607 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.715 0.760 -6.964 1.00 0.00 H new ATOM 262 N VAL A 16 -9.228 2.380 -4.714 1.00 0.00 N ATOM 263 CA VAL A 16 -8.353 3.502 -5.004 1.00 0.00 C ATOM 264 C VAL A 16 -6.967 3.021 -5.423 1.00 0.00 C ATOM 265 O VAL A 16 -6.391 3.532 -6.386 1.00 0.00 O ATOM 266 CB VAL A 16 -8.255 4.451 -3.794 1.00 0.00 C ATOM 267 CG1 VAL A 16 -7.221 5.544 -4.031 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.621 5.059 -3.517 1.00 0.00 C ATOM 0 H VAL A 16 -9.447 2.263 -3.725 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.786 4.056 -5.837 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.931 3.877 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.176 6.197 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.244 5.091 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.503 6.128 -4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.554 5.731 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.955 5.618 -4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.335 4.265 -3.300 1.00 0.00 H new ATOM 278 N ALA A 17 -6.451 2.018 -4.722 1.00 0.00 N ATOM 279 CA ALA A 17 -5.158 1.436 -5.064 1.00 0.00 C ATOM 280 C ALA A 17 -5.200 0.807 -6.450 1.00 0.00 C ATOM 281 O ALA A 17 -4.202 0.790 -7.161 1.00 0.00 O ATOM 282 CB ALA A 17 -4.736 0.404 -4.031 1.00 0.00 C ATOM 0 H ALA A 17 -6.907 1.592 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.421 2.239 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.769 -0.015 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.658 0.879 -3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.478 -0.393 -3.989 1.00 0.00 H new ATOM 288 N LYS A 18 -6.367 0.302 -6.834 1.00 0.00 N ATOM 289 CA LYS A 18 -6.545 -0.289 -8.155 1.00 0.00 C ATOM 290 C LYS A 18 -6.451 0.788 -9.232 1.00 0.00 C ATOM 291 O LYS A 18 -5.886 0.566 -10.304 1.00 0.00 O ATOM 292 CB LYS A 18 -7.894 -1.007 -8.238 1.00 0.00 C ATOM 293 CG LYS A 18 -8.059 -1.853 -9.488 1.00 0.00 C ATOM 294 CD LYS A 18 -9.381 -2.601 -9.477 1.00 0.00 C ATOM 295 CE LYS A 18 -9.516 -3.519 -10.680 1.00 0.00 C ATOM 296 NZ LYS A 18 -9.509 -2.771 -11.965 1.00 0.00 N ATOM 0 H LYS A 18 -7.203 0.290 -6.250 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.752 -1.018 -8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.011 -1.644 -7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.693 -0.266 -8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.007 -1.216 -10.371 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.236 -2.565 -9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.460 -3.187 -8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.204 -1.886 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.698 -4.240 -10.678 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.442 -4.087 -10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.738 -3.419 -12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.217 -2.010 -11.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.567 -2.360 -12.122 1.00 0.00 H new ATOM 310 N SER A 19 -7.000 1.958 -8.934 1.00 0.00 N ATOM 311 CA SER A 19 -6.933 3.083 -9.853 1.00 0.00 C ATOM 312 C SER A 19 -5.513 3.646 -9.887 1.00 0.00 C ATOM 313 O SER A 19 -5.010 4.043 -10.939 1.00 0.00 O ATOM 314 CB SER A 19 -7.935 4.153 -9.428 1.00 0.00 C ATOM 315 OG SER A 19 -9.219 3.579 -9.226 1.00 0.00 O ATOM 0 H SER A 19 -7.496 2.151 -8.064 1.00 0.00 H new ATOM 0 HA SER A 19 -7.190 2.748 -10.858 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.596 4.633 -8.510 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.993 4.929 -10.191 1.00 0.00 H new ATOM 0 HG SER A 19 -9.221 3.069 -8.389 1.00 0.00 H new ATOM 321 N TRP A 20 -4.873 3.652 -8.725 1.00 0.00 N ATOM 322 CA TRP A 20 -3.476 4.042 -8.599 1.00 0.00 C ATOM 323 C TRP A 20 -2.589 3.087 -9.398 1.00 0.00 C ATOM 324 O TRP A 20 -1.697 3.510 -10.130 1.00 0.00 O ATOM 325 CB TRP A 20 -3.087 4.037 -7.114 1.00 0.00 C ATOM 326 CG TRP A 20 -1.629 4.256 -6.847 1.00 0.00 C ATOM 327 CD1 TRP A 20 -0.987 5.452 -6.716 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.633 3.243 -6.656 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.347 5.247 -6.460 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.589 3.898 -6.418 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.658 1.844 -6.664 1.00 0.00 C ATOM 332 CZ2 TRP A 20 1.773 3.201 -6.192 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.519 1.156 -6.439 1.00 0.00 C ATOM 334 CH2 TRP A 20 1.720 1.835 -6.205 1.00 0.00 C ATOM 0 H TRP A 20 -5.309 3.386 -7.842 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.335 5.046 -9.000 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.657 4.812 -6.601 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.383 3.083 -6.678 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.459 6.420 -6.801 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.044 5.979 -6.323 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.580 1.312 -6.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.702 3.722 -6.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.512 0.076 -6.444 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.623 1.269 -6.031 1.00 0.00 H new ATOM 345 N PHE A 21 -2.870 1.800 -9.258 1.00 0.00 N ATOM 346 CA PHE A 21 -2.142 0.744 -9.954 1.00 0.00 C ATOM 347 C PHE A 21 -2.202 0.934 -11.470 1.00 0.00 C ATOM 348 O PHE A 21 -1.219 0.705 -12.174 1.00 0.00 O ATOM 349 CB PHE A 21 -2.741 -0.610 -9.555 1.00 0.00 C ATOM 350 CG PHE A 21 -2.167 -1.797 -10.275 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.918 -2.290 -9.944 1.00 0.00 C ATOM 352 CD2 PHE A 21 -2.893 -2.432 -11.271 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.401 -3.392 -10.592 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.379 -3.534 -11.926 1.00 0.00 C ATOM 355 CZ PHE A 21 -1.131 -4.015 -11.585 1.00 0.00 C ATOM 0 H PHE A 21 -3.615 1.454 -8.654 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.091 0.784 -9.666 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.599 -0.751 -8.483 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.816 -0.581 -9.733 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.341 -1.807 -9.169 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.871 -2.061 -11.538 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.575 -3.768 -10.323 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.952 -4.018 -12.703 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.726 -4.877 -12.094 1.00 0.00 H new ATOM 365 N ALA A 22 -3.351 1.376 -11.961 1.00 0.00 N ATOM 366 CA ALA A 22 -3.549 1.568 -13.392 1.00 0.00 C ATOM 367 C ALA A 22 -3.030 2.928 -13.856 1.00 0.00 C ATOM 368 O ALA A 22 -3.221 3.314 -15.009 1.00 0.00 O ATOM 369 CB ALA A 22 -5.022 1.426 -13.735 1.00 0.00 C ATOM 0 H ALA A 22 -4.162 1.609 -11.389 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.978 0.800 -13.914 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.162 1.571 -14.806 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.366 0.430 -13.456 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.596 2.175 -13.190 1.00 0.00 H new ATOM 375 N THR A 23 -2.373 3.647 -12.958 1.00 0.00 N ATOM 376 CA THR A 23 -1.854 4.970 -13.275 1.00 0.00 C ATOM 377 C THR A 23 -0.344 5.048 -13.029 1.00 0.00 C ATOM 378 O THR A 23 0.380 5.730 -13.757 1.00 0.00 O ATOM 379 CB THR A 23 -2.570 6.051 -12.438 1.00 0.00 C ATOM 380 OG1 THR A 23 -3.989 5.925 -12.598 1.00 0.00 O ATOM 381 CG2 THR A 23 -2.137 7.451 -12.849 1.00 0.00 C ATOM 0 H THR A 23 -2.186 3.337 -12.004 1.00 0.00 H new ATOM 0 HA THR A 23 -2.044 5.151 -14.333 1.00 0.00 H new ATOM 0 HB THR A 23 -2.297 5.902 -11.393 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.307 5.145 -12.097 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.661 8.187 -12.239 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.062 7.557 -12.703 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.378 7.613 -13.900 1.00 0.00 H new ATOM 389 N LYS A 24 0.127 4.334 -12.014 1.00 0.00 N ATOM 390 CA LYS A 24 1.529 4.395 -11.623 1.00 0.00 C ATOM 391 C LYS A 24 2.404 3.577 -12.574 1.00 0.00 C ATOM 392 O LYS A 24 2.577 2.376 -12.393 1.00 0.00 O ATOM 393 CB LYS A 24 1.699 3.877 -10.194 1.00 0.00 C ATOM 394 CG LYS A 24 2.810 4.564 -9.419 1.00 0.00 C ATOM 395 CD LYS A 24 2.412 5.980 -9.034 1.00 0.00 C ATOM 396 CE LYS A 24 3.529 6.706 -8.300 1.00 0.00 C ATOM 397 NZ LYS A 24 4.641 7.086 -9.211 1.00 0.00 N ATOM 0 H LYS A 24 -0.442 3.706 -11.447 1.00 0.00 H new ATOM 0 HA LYS A 24 1.847 5.436 -11.673 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.760 4.008 -9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.901 2.806 -10.228 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.040 3.990 -8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.717 4.589 -10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.145 6.538 -9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.524 5.948 -8.403 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.128 7.601 -7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.914 6.068 -7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.373 7.593 -8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.053 6.229 -9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.277 7.702 -9.965 1.00 0.00 H new ATOM 411 N THR A 25 2.953 4.239 -13.580 1.00 0.00 N ATOM 412 CA THR A 25 3.798 3.583 -14.572 1.00 0.00 C ATOM 413 C THR A 25 5.269 3.593 -14.149 1.00 0.00 C ATOM 414 O THR A 25 6.171 3.538 -14.988 1.00 0.00 O ATOM 415 CB THR A 25 3.650 4.285 -15.935 1.00 0.00 C ATOM 416 OG1 THR A 25 3.653 5.709 -15.747 1.00 0.00 O ATOM 417 CG2 THR A 25 2.363 3.861 -16.626 1.00 0.00 C ATOM 0 H THR A 25 2.828 5.240 -13.734 1.00 0.00 H new ATOM 0 HA THR A 25 3.473 2.546 -14.653 1.00 0.00 H new ATOM 0 HB THR A 25 4.491 3.996 -16.566 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.561 6.154 -16.615 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.281 4.370 -17.586 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.374 2.783 -16.786 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.510 4.126 -16.001 1.00 0.00 H new ATOM 425 N THR A 26 5.499 3.640 -12.846 1.00 0.00 N ATOM 426 CA THR A 26 6.845 3.744 -12.297 1.00 0.00 C ATOM 427 C THR A 26 7.630 2.444 -12.465 1.00 0.00 C ATOM 428 O THR A 26 8.834 2.459 -12.731 1.00 0.00 O ATOM 429 CB THR A 26 6.780 4.110 -10.805 1.00 0.00 C ATOM 430 OG1 THR A 26 5.908 5.233 -10.635 1.00 0.00 O ATOM 431 CG2 THR A 26 8.159 4.445 -10.255 1.00 0.00 C ATOM 0 H THR A 26 4.763 3.607 -12.141 1.00 0.00 H new ATOM 0 HA THR A 26 7.363 4.527 -12.851 1.00 0.00 H new ATOM 0 HB THR A 26 6.399 3.250 -10.255 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.397 6.060 -10.829 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.077 4.699 -9.198 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.816 3.583 -10.371 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.572 5.293 -10.801 1.00 0.00 H new ATOM 439 N TRP A 27 6.946 1.324 -12.323 1.00 0.00 N ATOM 440 CA TRP A 27 7.605 0.030 -12.371 1.00 0.00 C ATOM 441 C TRP A 27 7.160 -0.757 -13.592 1.00 0.00 C ATOM 442 O TRP A 27 6.241 -0.352 -14.305 1.00 0.00 O ATOM 443 CB TRP A 27 7.298 -0.770 -11.103 1.00 0.00 C ATOM 444 CG TRP A 27 7.714 -0.083 -9.838 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.989 0.187 -9.434 1.00 0.00 C ATOM 446 CD2 TRP A 27 6.853 0.405 -8.803 1.00 0.00 C ATOM 447 NE1 TRP A 27 8.974 0.813 -8.213 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.675 0.961 -7.804 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.468 0.425 -8.621 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.158 1.529 -6.643 1.00 0.00 C ATOM 451 CZ3 TRP A 27 4.955 0.993 -7.470 1.00 0.00 C ATOM 452 CH2 TRP A 27 5.798 1.538 -6.494 1.00 0.00 C ATOM 0 H TRP A 27 5.938 1.283 -12.174 1.00 0.00 H new ATOM 0 HA TRP A 27 8.680 0.200 -12.437 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.227 -0.970 -11.061 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.801 -1.735 -11.163 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.880 -0.056 -9.994 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.797 1.119 -7.694 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.810 0.004 -9.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.807 1.947 -5.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.886 1.017 -7.321 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.366 1.974 -5.606 1.00 0.00 H new ATOM 463 N SER A 28 7.827 -1.875 -13.832 1.00 0.00 N ATOM 464 CA SER A 28 7.427 -2.799 -14.879 1.00 0.00 C ATOM 465 C SER A 28 6.128 -3.490 -14.476 1.00 0.00 C ATOM 466 O SER A 28 5.874 -3.677 -13.287 1.00 0.00 O ATOM 467 CB SER A 28 8.531 -3.834 -15.096 1.00 0.00 C ATOM 468 OG SER A 28 8.938 -4.394 -13.856 1.00 0.00 O ATOM 0 H SER A 28 8.654 -2.165 -13.311 1.00 0.00 H new ATOM 0 HA SER A 28 7.266 -2.254 -15.809 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.173 -4.623 -15.758 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.384 -3.367 -15.588 1.00 0.00 H new ATOM 0 HG SER A 28 9.644 -5.056 -14.012 1.00 0.00 H new ATOM 474 N GLU A 29 5.315 -3.869 -15.451 1.00 0.00 N ATOM 475 CA GLU A 29 4.038 -4.511 -15.165 1.00 0.00 C ATOM 476 C GLU A 29 4.262 -5.852 -14.461 1.00 0.00 C ATOM 477 O GLU A 29 3.411 -6.311 -13.695 1.00 0.00 O ATOM 478 CB GLU A 29 3.235 -4.688 -16.454 1.00 0.00 C ATOM 479 CG GLU A 29 1.826 -5.211 -16.237 1.00 0.00 C ATOM 480 CD GLU A 29 0.996 -5.175 -17.502 1.00 0.00 C ATOM 481 OE1 GLU A 29 1.419 -5.782 -18.508 1.00 0.00 O ATOM 482 OE2 GLU A 29 -0.072 -4.525 -17.499 1.00 0.00 O ATOM 0 H GLU A 29 5.514 -3.744 -16.444 1.00 0.00 H new ATOM 0 HA GLU A 29 3.463 -3.873 -14.494 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.180 -3.730 -16.970 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.769 -5.374 -17.111 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.875 -6.235 -15.867 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.335 -4.616 -15.467 1.00 0.00 H new ATOM 489 N ASP A 30 5.416 -6.464 -14.723 1.00 0.00 N ATOM 490 CA ASP A 30 5.850 -7.650 -13.984 1.00 0.00 C ATOM 491 C ASP A 30 5.913 -7.341 -12.496 1.00 0.00 C ATOM 492 O ASP A 30 5.230 -7.969 -11.684 1.00 0.00 O ATOM 493 CB ASP A 30 7.235 -8.115 -14.457 1.00 0.00 C ATOM 494 CG ASP A 30 7.191 -8.960 -15.712 1.00 0.00 C ATOM 495 OD1 ASP A 30 7.029 -8.394 -16.815 1.00 0.00 O ATOM 496 OD2 ASP A 30 7.346 -10.197 -15.601 1.00 0.00 O ATOM 0 H ASP A 30 6.069 -6.157 -15.444 1.00 0.00 H new ATOM 0 HA ASP A 30 5.127 -8.445 -14.169 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.861 -7.241 -14.638 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.710 -8.687 -13.660 1.00 0.00 H new ATOM 501 N TYR A 31 6.728 -6.350 -12.154 1.00 0.00 N ATOM 502 CA TYR A 31 6.892 -5.927 -10.772 1.00 0.00 C ATOM 503 C TYR A 31 5.570 -5.400 -10.219 1.00 0.00 C ATOM 504 O TYR A 31 5.240 -5.635 -9.061 1.00 0.00 O ATOM 505 CB TYR A 31 7.981 -4.854 -10.679 1.00 0.00 C ATOM 506 CG TYR A 31 8.389 -4.504 -9.263 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.288 -5.300 -8.563 1.00 0.00 C ATOM 508 CD2 TYR A 31 7.886 -3.374 -8.632 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.672 -4.981 -7.274 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.266 -3.047 -7.343 1.00 0.00 C ATOM 511 CZ TYR A 31 9.159 -3.852 -6.668 1.00 0.00 C ATOM 512 OH TYR A 31 9.544 -3.527 -5.383 1.00 0.00 O ATOM 0 H TYR A 31 7.289 -5.822 -12.822 1.00 0.00 H new ATOM 0 HA TYR A 31 7.196 -6.785 -10.173 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.860 -5.197 -11.224 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.629 -3.951 -11.177 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.694 -6.183 -9.034 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.186 -2.740 -9.156 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.370 -5.612 -6.744 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.865 -2.164 -6.867 1.00 0.00 H new ATOM 0 HH TYR A 31 9.516 -2.554 -5.269 1.00 0.00 H new ATOM 522 N GLN A 32 4.812 -4.706 -11.066 1.00 0.00 N ATOM 523 CA GLN A 32 3.514 -4.166 -10.675 1.00 0.00 C ATOM 524 C GLN A 32 2.564 -5.262 -10.219 1.00 0.00 C ATOM 525 O GLN A 32 1.849 -5.090 -9.235 1.00 0.00 O ATOM 526 CB GLN A 32 2.866 -3.387 -11.817 1.00 0.00 C ATOM 527 CG GLN A 32 3.488 -2.029 -12.073 1.00 0.00 C ATOM 528 CD GLN A 32 2.643 -1.189 -13.006 1.00 0.00 C ATOM 529 OE1 GLN A 32 2.813 -1.223 -14.224 1.00 0.00 O ATOM 530 NE2 GLN A 32 1.713 -0.441 -12.436 1.00 0.00 N ATOM 0 H GLN A 32 5.077 -4.505 -12.030 1.00 0.00 H new ATOM 0 HA GLN A 32 3.700 -3.490 -9.841 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.929 -3.981 -12.729 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.807 -3.253 -11.596 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.616 -1.504 -11.126 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.482 -2.160 -12.501 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.607 -0.444 -11.421 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.101 0.138 -13.011 1.00 0.00 H new ATOM 539 N ARG A 33 2.544 -6.384 -10.933 1.00 0.00 N ATOM 540 CA ARG A 33 1.672 -7.489 -10.557 1.00 0.00 C ATOM 541 C ARG A 33 2.089 -8.028 -9.198 1.00 0.00 C ATOM 542 O ARG A 33 1.247 -8.345 -8.359 1.00 0.00 O ATOM 543 CB ARG A 33 1.693 -8.607 -11.601 1.00 0.00 C ATOM 544 CG ARG A 33 0.585 -9.626 -11.391 1.00 0.00 C ATOM 545 CD ARG A 33 0.583 -10.708 -12.460 1.00 0.00 C ATOM 546 NE ARG A 33 -0.611 -11.550 -12.370 1.00 0.00 N ATOM 547 CZ ARG A 33 -0.751 -12.724 -12.984 1.00 0.00 C ATOM 548 NH1 ARG A 33 0.227 -13.211 -13.735 1.00 0.00 N ATOM 549 NH2 ARG A 33 -1.879 -13.413 -12.855 1.00 0.00 N ATOM 0 H ARG A 33 3.113 -6.550 -11.763 1.00 0.00 H new ATOM 0 HA ARG A 33 0.651 -7.112 -10.503 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.597 -8.172 -12.596 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.658 -9.113 -11.566 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.701 -10.088 -10.410 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.379 -9.116 -11.392 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.630 -10.246 -13.446 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.474 -11.327 -12.355 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.387 -11.216 -11.799 1.00 0.00 H new ATOM 0 HH11 ARG A 33 1.094 -12.686 -13.846 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.112 -14.111 -14.202 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.640 -13.043 -12.285 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.984 -14.312 -13.326 1.00 0.00 H new ATOM 563 N SER A 34 3.395 -8.103 -8.976 1.00 0.00 N ATOM 564 CA SER A 34 3.925 -8.502 -7.684 1.00 0.00 C ATOM 565 C SER A 34 3.491 -7.510 -6.606 1.00 0.00 C ATOM 566 O SER A 34 3.103 -7.908 -5.509 1.00 0.00 O ATOM 567 CB SER A 34 5.449 -8.596 -7.747 1.00 0.00 C ATOM 568 OG SER A 34 5.858 -9.438 -8.815 1.00 0.00 O ATOM 0 H SER A 34 4.105 -7.892 -9.677 1.00 0.00 H new ATOM 0 HA SER A 34 3.528 -9.484 -7.427 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.874 -7.601 -7.879 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.833 -8.984 -6.804 1.00 0.00 H new ATOM 0 HG SER A 34 6.837 -9.484 -8.839 1.00 0.00 H new ATOM 574 N VAL A 35 3.544 -6.220 -6.936 1.00 0.00 N ATOM 575 CA VAL A 35 3.069 -5.170 -6.040 1.00 0.00 C ATOM 576 C VAL A 35 1.595 -5.378 -5.711 1.00 0.00 C ATOM 577 O VAL A 35 1.214 -5.441 -4.543 1.00 0.00 O ATOM 578 CB VAL A 35 3.250 -3.762 -6.661 1.00 0.00 C ATOM 579 CG1 VAL A 35 2.660 -2.687 -5.759 1.00 0.00 C ATOM 580 CG2 VAL A 35 4.718 -3.478 -6.931 1.00 0.00 C ATOM 0 H VAL A 35 3.914 -5.877 -7.823 1.00 0.00 H new ATOM 0 HA VAL A 35 3.666 -5.230 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 35 2.713 -3.744 -7.609 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.801 -1.709 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.595 -2.873 -5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.161 -2.709 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.822 -2.484 -7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.276 -3.524 -5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.111 -4.221 -7.625 1.00 0.00 H new ATOM 590 N TRP A 36 0.785 -5.502 -6.756 1.00 0.00 N ATOM 591 CA TRP A 36 -0.657 -5.662 -6.617 1.00 0.00 C ATOM 592 C TRP A 36 -0.996 -6.873 -5.749 1.00 0.00 C ATOM 593 O TRP A 36 -1.742 -6.758 -4.776 1.00 0.00 O ATOM 594 CB TRP A 36 -1.297 -5.799 -8.003 1.00 0.00 C ATOM 595 CG TRP A 36 -2.793 -5.878 -7.972 1.00 0.00 C ATOM 596 CD1 TRP A 36 -3.566 -6.913 -8.410 1.00 0.00 C ATOM 597 CD2 TRP A 36 -3.695 -4.883 -7.475 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.896 -6.623 -8.215 1.00 0.00 N ATOM 599 CE2 TRP A 36 -5.000 -5.384 -7.641 1.00 0.00 C ATOM 600 CE3 TRP A 36 -3.525 -3.620 -6.904 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -6.126 -4.664 -7.256 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -4.644 -2.906 -6.523 1.00 0.00 C ATOM 603 CH2 TRP A 36 -5.930 -3.431 -6.700 1.00 0.00 C ATOM 0 H TRP A 36 1.110 -5.494 -7.723 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.058 -4.777 -6.122 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.000 -4.948 -8.616 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.905 -6.693 -8.487 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.189 -7.826 -8.846 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.678 -7.232 -8.458 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.536 -3.209 -6.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.120 -5.065 -7.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.525 -1.927 -6.082 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.785 -2.849 -6.390 1.00 0.00 H new ATOM 614 N THR A 37 -0.423 -8.019 -6.089 1.00 0.00 N ATOM 615 CA THR A 37 -0.658 -9.247 -5.341 1.00 0.00 C ATOM 616 C THR A 37 -0.177 -9.112 -3.895 1.00 0.00 C ATOM 617 O THR A 37 -0.830 -9.593 -2.965 1.00 0.00 O ATOM 618 CB THR A 37 0.042 -10.437 -6.019 1.00 0.00 C ATOM 619 OG1 THR A 37 -0.388 -10.522 -7.382 1.00 0.00 O ATOM 620 CG2 THR A 37 -0.267 -11.744 -5.306 1.00 0.00 C ATOM 0 H THR A 37 0.211 -8.124 -6.881 1.00 0.00 H new ATOM 0 HA THR A 37 -1.733 -9.429 -5.331 1.00 0.00 H new ATOM 0 HB THR A 37 1.119 -10.274 -5.972 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.068 -9.835 -7.912 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.244 -12.564 -5.811 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.076 -11.685 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.342 -11.922 -5.322 1.00 0.00 H new ATOM 628 N ARG A 38 0.956 -8.444 -3.709 1.00 0.00 N ATOM 629 CA ARG A 38 1.494 -8.207 -2.375 1.00 0.00 C ATOM 630 C ARG A 38 0.533 -7.340 -1.567 1.00 0.00 C ATOM 631 O ARG A 38 0.317 -7.578 -0.375 1.00 0.00 O ATOM 632 CB ARG A 38 2.877 -7.556 -2.471 1.00 0.00 C ATOM 633 CG ARG A 38 3.491 -7.197 -1.129 1.00 0.00 C ATOM 634 CD ARG A 38 4.988 -7.470 -1.109 1.00 0.00 C ATOM 635 NE ARG A 38 5.707 -6.799 -2.195 1.00 0.00 N ATOM 636 CZ ARG A 38 6.612 -7.408 -2.964 1.00 0.00 C ATOM 637 NH1 ARG A 38 6.864 -8.701 -2.802 1.00 0.00 N ATOM 638 NH2 ARG A 38 7.263 -6.726 -3.903 1.00 0.00 N ATOM 0 H ARG A 38 1.520 -8.057 -4.466 1.00 0.00 H new ATOM 0 HA ARG A 38 1.604 -9.161 -1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.550 -8.234 -2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.800 -6.652 -3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.309 -6.144 -0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.005 -7.771 -0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.398 -7.144 -0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.157 -8.545 -1.179 1.00 0.00 H new ATOM 0 HE ARG A 38 5.505 -5.815 -2.373 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.365 -9.232 -2.088 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.556 -9.163 -3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.071 -5.733 -4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.954 -7.196 -4.488 1.00 0.00 H new ATOM 652 N LEU A 39 -0.062 -6.353 -2.225 1.00 0.00 N ATOM 653 CA LEU A 39 -1.066 -5.511 -1.594 1.00 0.00 C ATOM 654 C LEU A 39 -2.266 -6.357 -1.178 1.00 0.00 C ATOM 655 O LEU A 39 -2.720 -6.283 -0.041 1.00 0.00 O ATOM 656 CB LEU A 39 -1.523 -4.394 -2.541 1.00 0.00 C ATOM 657 CG LEU A 39 -0.419 -3.464 -3.049 1.00 0.00 C ATOM 658 CD1 LEU A 39 -1.001 -2.395 -3.958 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.331 -2.827 -1.888 1.00 0.00 C ATOM 0 H LEU A 39 0.135 -6.117 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.620 -5.052 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.014 -4.850 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.273 -3.792 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 39 0.290 -4.060 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.202 -1.742 -4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.486 -2.868 -4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.733 -1.806 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.110 -2.171 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.364 -2.247 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.784 -3.607 -1.276 1.00 0.00 H new ATOM 671 N GLU A 40 -2.748 -7.180 -2.104 1.00 0.00 N ATOM 672 CA GLU A 40 -3.897 -8.046 -1.849 1.00 0.00 C ATOM 673 C GLU A 40 -3.643 -8.977 -0.668 1.00 0.00 C ATOM 674 O GLU A 40 -4.532 -9.216 0.151 1.00 0.00 O ATOM 675 CB GLU A 40 -4.222 -8.890 -3.087 1.00 0.00 C ATOM 676 CG GLU A 40 -4.552 -8.078 -4.327 1.00 0.00 C ATOM 677 CD GLU A 40 -4.915 -8.956 -5.508 1.00 0.00 C ATOM 678 OE1 GLU A 40 -3.997 -9.431 -6.212 1.00 0.00 O ATOM 679 OE2 GLU A 40 -6.122 -9.189 -5.729 1.00 0.00 O ATOM 0 H GLU A 40 -2.359 -7.266 -3.043 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.741 -7.398 -1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.372 -9.536 -3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.066 -9.541 -2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.381 -7.405 -4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.697 -7.455 -4.589 1.00 0.00 H new ATOM 686 N THR A 41 -2.426 -9.489 -0.582 1.00 0.00 N ATOM 687 CA THR A 41 -2.088 -10.499 0.410 1.00 0.00 C ATOM 688 C THR A 41 -1.922 -9.913 1.815 1.00 0.00 C ATOM 689 O THR A 41 -2.450 -10.457 2.788 1.00 0.00 O ATOM 690 CB THR A 41 -0.793 -11.242 0.018 1.00 0.00 C ATOM 691 OG1 THR A 41 -0.898 -11.746 -1.322 1.00 0.00 O ATOM 692 CG2 THR A 41 -0.515 -12.396 0.974 1.00 0.00 C ATOM 0 H THR A 41 -1.652 -9.221 -1.190 1.00 0.00 H new ATOM 0 HA THR A 41 -2.926 -11.196 0.431 1.00 0.00 H new ATOM 0 HB THR A 41 0.033 -10.533 0.077 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.879 -10.998 -1.955 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.403 -12.903 0.675 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.403 -12.010 1.987 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.345 -13.102 0.944 1.00 0.00 H new ATOM 700 N TYR A 42 -1.192 -8.808 1.928 1.00 0.00 N ATOM 701 CA TYR A 42 -0.803 -8.301 3.241 1.00 0.00 C ATOM 702 C TYR A 42 -1.519 -7.002 3.616 1.00 0.00 C ATOM 703 O TYR A 42 -1.847 -6.781 4.779 1.00 0.00 O ATOM 704 CB TYR A 42 0.708 -8.067 3.282 1.00 0.00 C ATOM 705 CG TYR A 42 1.541 -9.268 2.884 1.00 0.00 C ATOM 706 CD1 TYR A 42 1.745 -10.324 3.764 1.00 0.00 C ATOM 707 CD2 TYR A 42 2.130 -9.339 1.628 1.00 0.00 C ATOM 708 CE1 TYR A 42 2.511 -11.417 3.401 1.00 0.00 C ATOM 709 CE2 TYR A 42 2.897 -10.426 1.258 1.00 0.00 C ATOM 710 CZ TYR A 42 3.084 -11.464 2.149 1.00 0.00 C ATOM 711 OH TYR A 42 3.849 -12.550 1.786 1.00 0.00 O ATOM 0 H TYR A 42 -0.861 -8.252 1.139 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.096 -9.059 3.967 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.952 -7.236 2.620 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.989 -7.764 4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.298 -10.291 4.747 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.985 -8.529 0.928 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.659 -12.230 4.096 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.348 -10.464 0.277 1.00 0.00 H new ATOM 0 HH TYR A 42 4.178 -12.427 0.871 1.00 0.00 H new ATOM 721 N LEU A 43 -1.767 -6.152 2.632 1.00 0.00 N ATOM 722 CA LEU A 43 -2.214 -4.788 2.899 1.00 0.00 C ATOM 723 C LEU A 43 -3.742 -4.663 2.848 1.00 0.00 C ATOM 724 O LEU A 43 -4.355 -4.054 3.724 1.00 0.00 O ATOM 725 CB LEU A 43 -1.553 -3.851 1.884 1.00 0.00 C ATOM 726 CG LEU A 43 -1.602 -2.368 2.234 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.985 -2.125 3.605 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.877 -1.550 1.181 1.00 0.00 C ATOM 0 H LEU A 43 -1.668 -6.379 1.643 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.917 -4.511 3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.510 -4.145 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.033 -3.995 0.916 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.646 -2.055 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.028 -1.061 3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.539 -2.685 4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.054 -2.454 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.922 -0.494 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.165 -1.867 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.353 -1.701 0.212 1.00 0.00 H new ATOM 740 N PHE A 44 -4.348 -5.268 1.837 1.00 0.00 N ATOM 741 CA PHE A 44 -5.798 -5.194 1.627 1.00 0.00 C ATOM 742 C PHE A 44 -6.656 -5.846 2.739 1.00 0.00 C ATOM 743 O PHE A 44 -7.750 -5.348 2.998 1.00 0.00 O ATOM 744 CB PHE A 44 -6.176 -5.811 0.277 1.00 0.00 C ATOM 745 CG PHE A 44 -5.819 -4.962 -0.913 1.00 0.00 C ATOM 746 CD1 PHE A 44 -5.216 -3.723 -0.752 1.00 0.00 C ATOM 747 CD2 PHE A 44 -6.096 -5.404 -2.196 1.00 0.00 C ATOM 748 CE1 PHE A 44 -4.896 -2.946 -1.847 1.00 0.00 C ATOM 749 CE2 PHE A 44 -5.777 -4.631 -3.294 1.00 0.00 C ATOM 750 CZ PHE A 44 -5.176 -3.400 -3.118 1.00 0.00 C ATOM 0 H PHE A 44 -3.856 -5.824 1.138 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.027 -4.129 1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.681 -6.777 0.181 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.249 -6.000 0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.994 -3.362 0.242 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.567 -6.365 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.427 -1.983 -1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.997 -4.988 -4.289 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.926 -2.793 -3.976 1.00 0.00 H new ATOM 760 N PRO A 45 -6.213 -6.956 3.398 1.00 0.00 N ATOM 761 CA PRO A 45 -7.034 -7.684 4.389 1.00 0.00 C ATOM 762 C PRO A 45 -7.793 -6.783 5.366 1.00 0.00 C ATOM 763 O PRO A 45 -8.957 -7.043 5.680 1.00 0.00 O ATOM 764 CB PRO A 45 -6.006 -8.520 5.143 1.00 0.00 C ATOM 765 CG PRO A 45 -4.957 -8.809 4.134 1.00 0.00 C ATOM 766 CD PRO A 45 -4.894 -7.603 3.237 1.00 0.00 C ATOM 0 HA PRO A 45 -7.820 -8.254 3.894 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.599 -7.976 5.995 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.448 -9.438 5.532 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.995 -8.988 4.613 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.201 -9.706 3.564 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.085 -6.933 3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.715 -7.888 2.200 1.00 0.00 H new ATOM 774 N ASP A 46 -7.138 -5.735 5.848 1.00 0.00 N ATOM 775 CA ASP A 46 -7.764 -4.828 6.803 1.00 0.00 C ATOM 776 C ASP A 46 -8.231 -3.542 6.133 1.00 0.00 C ATOM 777 O ASP A 46 -9.429 -3.266 6.059 1.00 0.00 O ATOM 778 CB ASP A 46 -6.804 -4.484 7.945 1.00 0.00 C ATOM 779 CG ASP A 46 -6.747 -5.560 9.010 1.00 0.00 C ATOM 780 OD1 ASP A 46 -7.595 -5.542 9.927 1.00 0.00 O ATOM 781 OD2 ASP A 46 -5.846 -6.420 8.948 1.00 0.00 O ATOM 0 H ASP A 46 -6.180 -5.492 5.596 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.633 -5.346 7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.805 -4.328 7.539 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.112 -3.544 8.402 1.00 0.00 H new ATOM 786 N ILE A 47 -7.283 -2.768 5.623 1.00 0.00 N ATOM 787 CA ILE A 47 -7.572 -1.424 5.135 1.00 0.00 C ATOM 788 C ILE A 47 -8.256 -1.448 3.776 1.00 0.00 C ATOM 789 O ILE A 47 -8.901 -0.478 3.384 1.00 0.00 O ATOM 790 CB ILE A 47 -6.296 -0.571 5.047 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.288 -1.220 4.105 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.683 -0.385 6.424 1.00 0.00 C ATOM 793 CD1 ILE A 47 -3.951 -0.527 4.088 1.00 0.00 C ATOM 0 H ILE A 47 -6.306 -3.047 5.536 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.252 -0.975 5.859 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.564 0.409 4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.146 -2.260 4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.698 -1.227 3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.781 0.221 6.342 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.399 0.116 7.076 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.429 -1.358 6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.283 -1.041 3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.081 0.506 3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.520 -0.543 5.089 1.00 0.00 H new ATOM 805 N GLY A 48 -8.131 -2.562 3.069 1.00 0.00 N ATOM 806 CA GLY A 48 -8.769 -2.698 1.776 1.00 0.00 C ATOM 807 C GLY A 48 -10.277 -2.701 1.893 1.00 0.00 C ATOM 808 O GLY A 48 -10.985 -2.329 0.956 1.00 0.00 O ATOM 0 H GLY A 48 -7.597 -3.377 3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.456 -1.879 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.439 -3.623 1.303 1.00 0.00 H new ATOM 812 N ASN A 49 -10.768 -3.119 3.052 1.00 0.00 N ATOM 813 CA ASN A 49 -12.200 -3.159 3.310 1.00 0.00 C ATOM 814 C ASN A 49 -12.626 -1.970 4.158 1.00 0.00 C ATOM 815 O ASN A 49 -13.791 -1.844 4.535 1.00 0.00 O ATOM 816 CB ASN A 49 -12.584 -4.469 4.001 1.00 0.00 C ATOM 817 CG ASN A 49 -12.402 -5.672 3.096 1.00 0.00 C ATOM 818 OD1 ASN A 49 -12.538 -5.573 1.874 1.00 0.00 O ATOM 819 ND2 ASN A 49 -12.090 -6.816 3.685 1.00 0.00 N ATOM 0 H ASN A 49 -10.192 -3.436 3.832 1.00 0.00 H new ATOM 0 HA ASN A 49 -12.720 -3.105 2.354 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.977 -4.596 4.897 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.623 -4.415 4.325 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.953 -7.657 3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.987 -6.856 4.699 1.00 0.00 H new ATOM 826 N LYS A 50 -11.673 -1.097 4.450 1.00 0.00 N ATOM 827 CA LYS A 50 -11.952 0.115 5.207 1.00 0.00 C ATOM 828 C LYS A 50 -12.311 1.254 4.261 1.00 0.00 C ATOM 829 O LYS A 50 -12.069 1.175 3.056 1.00 0.00 O ATOM 830 CB LYS A 50 -10.744 0.512 6.064 1.00 0.00 C ATOM 831 CG LYS A 50 -10.500 -0.398 7.260 1.00 0.00 C ATOM 832 CD LYS A 50 -11.637 -0.318 8.266 1.00 0.00 C ATOM 833 CE LYS A 50 -11.323 -1.107 9.529 1.00 0.00 C ATOM 834 NZ LYS A 50 -12.446 -1.068 10.504 1.00 0.00 N ATOM 0 H LYS A 50 -10.697 -1.206 4.173 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.796 -0.083 5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.853 0.515 5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.886 1.532 6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.388 -1.427 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.564 -0.119 7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.823 0.725 8.524 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.551 -0.702 7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.108 -2.142 9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.424 -0.703 9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.265 -1.749 11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.526 -0.111 10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.333 -1.317 10.022 1.00 0.00 H new ATOM 848 N ASP A 51 -12.884 2.312 4.816 1.00 0.00 N ATOM 849 CA ASP A 51 -13.291 3.472 4.027 1.00 0.00 C ATOM 850 C ASP A 51 -12.144 4.455 3.854 1.00 0.00 C ATOM 851 O ASP A 51 -12.335 5.540 3.304 1.00 0.00 O ATOM 852 CB ASP A 51 -14.476 4.183 4.686 1.00 0.00 C ATOM 853 CG ASP A 51 -15.721 3.324 4.725 1.00 0.00 C ATOM 854 OD1 ASP A 51 -16.379 3.179 3.674 1.00 0.00 O ATOM 855 OD2 ASP A 51 -16.052 2.795 5.808 1.00 0.00 O ATOM 0 H ASP A 51 -13.079 2.394 5.814 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.588 3.108 3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.204 4.469 5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.691 5.103 4.143 1.00 0.00 H new ATOM 860 N ILE A 52 -10.963 4.079 4.351 1.00 0.00 N ATOM 861 CA ILE A 52 -9.753 4.903 4.246 1.00 0.00 C ATOM 862 C ILE A 52 -9.806 6.120 5.180 1.00 0.00 C ATOM 863 O ILE A 52 -8.827 6.431 5.860 1.00 0.00 O ATOM 864 CB ILE A 52 -9.476 5.320 2.775 1.00 0.00 C ATOM 865 CG1 ILE A 52 -8.255 4.562 2.238 1.00 0.00 C ATOM 866 CG2 ILE A 52 -9.277 6.826 2.636 1.00 0.00 C ATOM 867 CD1 ILE A 52 -6.930 5.083 2.762 1.00 0.00 C ATOM 0 H ILE A 52 -10.817 3.195 4.838 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.915 4.288 4.574 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.352 5.057 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.349 3.508 2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.253 4.621 1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.086 7.073 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.175 7.344 2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.428 7.138 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.115 4.497 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.812 6.128 2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.910 4.999 3.849 1.00 0.00 H new ATOM 879 N ALA A 53 -10.958 6.781 5.244 1.00 0.00 N ATOM 880 CA ALA A 53 -11.152 7.919 6.137 1.00 0.00 C ATOM 881 C ALA A 53 -11.393 7.443 7.567 1.00 0.00 C ATOM 882 O ALA A 53 -11.753 8.221 8.451 1.00 0.00 O ATOM 883 CB ALA A 53 -12.313 8.772 5.650 1.00 0.00 C ATOM 0 H ALA A 53 -11.777 6.546 4.683 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.248 8.528 6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.450 9.619 6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.100 9.138 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.223 8.172 5.632 1.00 0.00 H new ATOM 889 N GLU A 54 -11.180 6.153 7.776 1.00 0.00 N ATOM 890 CA GLU A 54 -11.351 5.530 9.076 1.00 0.00 C ATOM 891 C GLU A 54 -10.006 4.990 9.559 1.00 0.00 C ATOM 892 O GLU A 54 -9.930 4.217 10.514 1.00 0.00 O ATOM 893 CB GLU A 54 -12.365 4.389 8.959 1.00 0.00 C ATOM 894 CG GLU A 54 -12.853 3.845 10.291 1.00 0.00 C ATOM 895 CD GLU A 54 -13.610 2.543 10.138 1.00 0.00 C ATOM 896 OE1 GLU A 54 -14.626 2.524 9.415 1.00 0.00 O ATOM 897 OE2 GLU A 54 -13.183 1.530 10.732 1.00 0.00 O ATOM 0 H GLU A 54 -10.882 5.507 7.044 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.719 6.263 9.794 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.224 4.740 8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.914 3.575 8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.000 3.691 10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.497 4.583 10.768 1.00 0.00 H new ATOM 904 N LEU A 55 -8.940 5.410 8.899 1.00 0.00 N ATOM 905 CA LEU A 55 -7.628 4.843 9.157 1.00 0.00 C ATOM 906 C LEU A 55 -6.709 5.822 9.872 1.00 0.00 C ATOM 907 O LEU A 55 -6.641 7.006 9.534 1.00 0.00 O ATOM 908 CB LEU A 55 -6.985 4.380 7.850 1.00 0.00 C ATOM 909 CG LEU A 55 -7.733 3.259 7.129 1.00 0.00 C ATOM 910 CD1 LEU A 55 -7.034 2.896 5.830 1.00 0.00 C ATOM 911 CD2 LEU A 55 -7.853 2.041 8.031 1.00 0.00 C ATOM 0 H LEU A 55 -8.957 6.138 8.184 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.770 3.987 9.816 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.905 5.235 7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.970 4.044 8.060 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.736 3.612 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.583 2.096 5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.998 3.770 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.019 2.561 6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.388 1.250 7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.857 1.689 8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.400 2.310 8.935 1.00 0.00 H new ATOM 923 N ASP A 56 -6.016 5.306 10.869 1.00 0.00 N ATOM 924 CA ASP A 56 -5.011 6.058 11.596 1.00 0.00 C ATOM 925 C ASP A 56 -3.633 5.491 11.259 1.00 0.00 C ATOM 926 O ASP A 56 -3.539 4.395 10.699 1.00 0.00 O ATOM 927 CB ASP A 56 -5.300 5.966 13.102 1.00 0.00 C ATOM 928 CG ASP A 56 -4.212 6.559 13.972 1.00 0.00 C ATOM 929 OD1 ASP A 56 -4.268 7.771 14.262 1.00 0.00 O ATOM 930 OD2 ASP A 56 -3.302 5.808 14.384 1.00 0.00 O ATOM 0 H ASP A 56 -6.135 4.348 11.199 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.034 7.109 11.310 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.240 6.476 13.314 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.438 4.919 13.372 1.00 0.00 H new ATOM 935 N THR A 57 -2.579 6.231 11.575 1.00 0.00 N ATOM 936 CA THR A 57 -1.216 5.781 11.324 1.00 0.00 C ATOM 937 C THR A 57 -0.974 4.389 11.916 1.00 0.00 C ATOM 938 O THR A 57 -0.334 3.542 11.291 1.00 0.00 O ATOM 939 CB THR A 57 -0.202 6.775 11.917 1.00 0.00 C ATOM 940 OG1 THR A 57 -0.500 8.099 11.456 1.00 0.00 O ATOM 941 CG2 THR A 57 1.219 6.407 11.523 1.00 0.00 C ATOM 0 H THR A 57 -2.643 7.152 12.009 1.00 0.00 H new ATOM 0 HA THR A 57 -1.080 5.728 10.244 1.00 0.00 H new ATOM 0 HB THR A 57 -0.279 6.735 13.004 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.131 8.349 10.749 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.914 7.126 11.956 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.452 5.409 11.893 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.311 6.422 10.437 1.00 0.00 H new ATOM 949 N GLY A 58 -1.519 4.152 13.107 1.00 0.00 N ATOM 950 CA GLY A 58 -1.358 2.866 13.758 1.00 0.00 C ATOM 951 C GLY A 58 -2.061 1.748 13.011 1.00 0.00 C ATOM 952 O GLY A 58 -1.574 0.619 12.974 1.00 0.00 O ATOM 0 H GLY A 58 -2.070 4.831 13.632 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.296 2.633 13.840 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.750 2.924 14.773 1.00 0.00 H new ATOM 956 N ASP A 59 -3.199 2.073 12.398 1.00 0.00 N ATOM 957 CA ASP A 59 -3.980 1.101 11.631 1.00 0.00 C ATOM 958 C ASP A 59 -3.200 0.632 10.416 1.00 0.00 C ATOM 959 O ASP A 59 -3.323 -0.512 9.991 1.00 0.00 O ATOM 960 CB ASP A 59 -5.311 1.703 11.169 1.00 0.00 C ATOM 961 CG ASP A 59 -6.265 1.975 12.310 1.00 0.00 C ATOM 962 OD1 ASP A 59 -6.113 3.013 12.983 1.00 0.00 O ATOM 963 OD2 ASP A 59 -7.184 1.162 12.526 1.00 0.00 O ATOM 0 H ASP A 59 -3.603 3.009 12.418 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.182 0.253 12.286 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.117 2.634 10.636 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.785 1.023 10.461 1.00 0.00 H new ATOM 968 N LEU A 60 -2.403 1.532 9.862 1.00 0.00 N ATOM 969 CA LEU A 60 -1.563 1.219 8.712 1.00 0.00 C ATOM 970 C LEU A 60 -0.341 0.426 9.163 1.00 0.00 C ATOM 971 O LEU A 60 0.149 -0.474 8.462 1.00 0.00 O ATOM 972 CB LEU A 60 -1.131 2.517 8.030 1.00 0.00 C ATOM 973 CG LEU A 60 -2.281 3.459 7.670 1.00 0.00 C ATOM 974 CD1 LEU A 60 -1.748 4.811 7.238 1.00 0.00 C ATOM 975 CD2 LEU A 60 -3.148 2.855 6.577 1.00 0.00 C ATOM 0 H LEU A 60 -2.319 2.493 10.192 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.128 0.614 8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.439 3.044 8.686 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.583 2.270 7.121 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.897 3.599 8.558 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.581 5.467 6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.172 5.252 8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.107 4.687 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.960 3.541 6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.543 2.682 5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.563 1.909 6.923 1.00 0.00 H new ATOM 987 N LEU A 61 0.138 0.756 10.355 1.00 0.00 N ATOM 988 CA LEU A 61 1.278 0.074 10.934 1.00 0.00 C ATOM 989 C LEU A 61 0.948 -1.376 11.251 1.00 0.00 C ATOM 990 O LEU A 61 1.844 -2.202 11.330 1.00 0.00 O ATOM 991 CB LEU A 61 1.760 0.782 12.201 1.00 0.00 C ATOM 992 CG LEU A 61 2.367 2.169 11.988 1.00 0.00 C ATOM 993 CD1 LEU A 61 2.823 2.753 13.315 1.00 0.00 C ATOM 994 CD2 LEU A 61 3.528 2.107 11.003 1.00 0.00 C ATOM 0 H LEU A 61 -0.251 1.496 10.939 1.00 0.00 H new ATOM 0 HA LEU A 61 2.078 0.097 10.194 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.918 0.874 12.888 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.502 0.151 12.689 1.00 0.00 H new ATOM 0 HG LEU A 61 1.600 2.819 11.566 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.253 3.741 13.149 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.970 2.837 13.988 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.574 2.100 13.761 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.944 3.105 10.867 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.300 1.442 11.391 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.172 1.729 10.045 1.00 0.00 H new ATOM 1006 N VAL A 62 -0.335 -1.689 11.433 1.00 0.00 N ATOM 1007 CA VAL A 62 -0.736 -3.066 11.711 1.00 0.00 C ATOM 1008 C VAL A 62 -0.311 -4.007 10.572 1.00 0.00 C ATOM 1009 O VAL A 62 0.449 -4.940 10.813 1.00 0.00 O ATOM 1010 CB VAL A 62 -2.253 -3.216 11.972 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -2.569 -4.634 12.421 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -2.731 -2.215 13.009 1.00 0.00 C ATOM 0 H VAL A 62 -1.103 -1.019 11.394 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.219 -3.347 12.628 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.781 -3.013 11.040 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.640 -4.728 12.602 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.269 -5.337 11.644 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.025 -4.855 13.339 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.801 -2.343 13.172 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.198 -2.379 13.946 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.537 -1.203 12.654 1.00 0.00 H new ATOM 1022 N PRO A 63 -0.777 -3.783 9.317 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.339 -4.582 8.164 1.00 0.00 C ATOM 1024 C PRO A 63 1.177 -4.559 7.986 1.00 0.00 C ATOM 1025 O PRO A 63 1.788 -5.591 7.710 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.023 -3.917 6.968 1.00 0.00 C ATOM 1027 CG PRO A 63 -2.197 -3.211 7.544 1.00 0.00 C ATOM 1028 CD PRO A 63 -1.779 -2.776 8.921 1.00 0.00 C ATOM 0 HA PRO A 63 -0.601 -5.633 8.284 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.351 -3.221 6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.330 -4.655 6.227 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.477 -2.354 6.931 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.065 -3.868 7.588 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.355 -1.772 8.912 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.624 -2.760 9.609 1.00 0.00 H new ATOM 1036 N ILE A 64 1.784 -3.383 8.153 1.00 0.00 N ATOM 1037 CA ILE A 64 3.239 -3.263 8.038 1.00 0.00 C ATOM 1038 C ILE A 64 3.941 -4.143 9.079 1.00 0.00 C ATOM 1039 O ILE A 64 4.844 -4.918 8.759 1.00 0.00 O ATOM 1040 CB ILE A 64 3.698 -1.798 8.211 1.00 0.00 C ATOM 1041 CG1 ILE A 64 3.040 -0.910 7.150 1.00 0.00 C ATOM 1042 CG2 ILE A 64 5.217 -1.699 8.124 1.00 0.00 C ATOM 1043 CD1 ILE A 64 3.319 0.567 7.333 1.00 0.00 C ATOM 0 H ILE A 64 1.299 -2.511 8.365 1.00 0.00 H new ATOM 0 HA ILE A 64 3.513 -3.599 7.038 1.00 0.00 H new ATOM 0 HB ILE A 64 3.389 -1.450 9.197 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.390 -1.217 6.164 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.962 -1.072 7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.522 -0.660 8.248 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.667 -2.305 8.910 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.550 -2.061 7.151 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.821 1.132 6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.944 0.891 8.304 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.393 0.743 7.282 1.00 0.00 H new ATOM 1055 N LYS A 65 3.495 -4.022 10.318 1.00 0.00 N ATOM 1056 CA LYS A 65 4.037 -4.785 11.435 1.00 0.00 C ATOM 1057 C LYS A 65 3.744 -6.275 11.274 1.00 0.00 C ATOM 1058 O LYS A 65 4.545 -7.124 11.654 1.00 0.00 O ATOM 1059 CB LYS A 65 3.425 -4.251 12.727 1.00 0.00 C ATOM 1060 CG LYS A 65 3.784 -5.023 13.978 1.00 0.00 C ATOM 1061 CD LYS A 65 3.181 -4.351 15.195 1.00 0.00 C ATOM 1062 CE LYS A 65 1.663 -4.312 15.127 1.00 0.00 C ATOM 1063 NZ LYS A 65 1.087 -3.463 16.202 1.00 0.00 N ATOM 0 H LYS A 65 2.741 -3.387 10.581 1.00 0.00 H new ATOM 0 HA LYS A 65 5.121 -4.670 11.463 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.737 -3.215 12.857 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.340 -4.246 12.621 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.419 -6.047 13.900 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.868 -5.078 14.083 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.491 -4.883 16.094 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.567 -3.335 15.277 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.352 -3.929 14.155 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.269 -5.325 15.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.050 -3.460 16.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.363 -3.843 17.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.444 -2.491 16.105 1.00 0.00 H new ATOM 1077 N LYS A 66 2.583 -6.575 10.714 1.00 0.00 N ATOM 1078 CA LYS A 66 2.197 -7.946 10.390 1.00 0.00 C ATOM 1079 C LYS A 66 3.243 -8.596 9.479 1.00 0.00 C ATOM 1080 O LYS A 66 3.522 -9.792 9.581 1.00 0.00 O ATOM 1081 CB LYS A 66 0.821 -7.943 9.711 1.00 0.00 C ATOM 1082 CG LYS A 66 0.161 -9.309 9.613 1.00 0.00 C ATOM 1083 CD LYS A 66 -1.210 -9.207 8.954 1.00 0.00 C ATOM 1084 CE LYS A 66 -1.969 -10.526 8.995 1.00 0.00 C ATOM 1085 NZ LYS A 66 -1.271 -11.603 8.245 1.00 0.00 N ATOM 0 H LYS A 66 1.879 -5.878 10.470 1.00 0.00 H new ATOM 0 HA LYS A 66 2.140 -8.528 11.310 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.160 -7.273 10.261 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.927 -7.532 8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.796 -9.983 9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.059 -9.740 10.609 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.796 -8.437 9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.090 -8.891 7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.100 -10.835 10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.965 -10.382 8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.850 -12.467 8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.123 -11.301 7.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.351 -11.796 8.690 1.00 0.00 H new ATOM 1099 N ILE A 67 3.826 -7.796 8.592 1.00 0.00 N ATOM 1100 CA ILE A 67 4.881 -8.275 7.703 1.00 0.00 C ATOM 1101 C ILE A 67 6.235 -8.236 8.407 1.00 0.00 C ATOM 1102 O ILE A 67 7.109 -9.061 8.144 1.00 0.00 O ATOM 1103 CB ILE A 67 4.946 -7.438 6.412 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.579 -7.419 5.736 1.00 0.00 C ATOM 1105 CG2 ILE A 67 6.000 -7.997 5.461 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.490 -6.440 4.589 1.00 0.00 C ATOM 0 H ILE A 67 3.586 -6.812 8.469 1.00 0.00 H new ATOM 0 HA ILE A 67 4.644 -9.305 7.437 1.00 0.00 H new ATOM 0 HB ILE A 67 5.228 -6.418 6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.350 -8.419 5.369 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.819 -7.169 6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.030 -7.392 4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.976 -7.974 5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.748 -9.025 5.202 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.491 -6.479 4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.688 -5.432 4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.227 -6.702 3.829 1.00 0.00 H new ATOM 1118 N GLU A 68 6.402 -7.275 9.304 1.00 0.00 N ATOM 1119 CA GLU A 68 7.599 -7.202 10.129 1.00 0.00 C ATOM 1120 C GLU A 68 7.722 -8.467 10.977 1.00 0.00 C ATOM 1121 O GLU A 68 8.802 -9.046 11.107 1.00 0.00 O ATOM 1122 CB GLU A 68 7.551 -5.968 11.031 1.00 0.00 C ATOM 1123 CG GLU A 68 8.756 -5.840 11.944 1.00 0.00 C ATOM 1124 CD GLU A 68 8.640 -4.681 12.909 1.00 0.00 C ATOM 1125 OE1 GLU A 68 8.047 -4.861 13.989 1.00 0.00 O ATOM 1126 OE2 GLU A 68 9.168 -3.594 12.602 1.00 0.00 O ATOM 0 H GLU A 68 5.723 -6.534 9.479 1.00 0.00 H new ATOM 0 HA GLU A 68 8.470 -7.122 9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.479 -5.076 10.409 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.647 -6.007 11.639 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.879 -6.765 12.507 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.653 -5.714 11.338 1.00 0.00 H new ATOM 1133 N LYS A 69 6.592 -8.900 11.529 1.00 0.00 N ATOM 1134 CA LYS A 69 6.528 -10.119 12.326 1.00 0.00 C ATOM 1135 C LYS A 69 6.759 -11.346 11.444 1.00 0.00 C ATOM 1136 O LYS A 69 7.092 -12.430 11.932 1.00 0.00 O ATOM 1137 CB LYS A 69 5.165 -10.220 13.018 1.00 0.00 C ATOM 1138 CG LYS A 69 5.085 -11.325 14.058 1.00 0.00 C ATOM 1139 CD LYS A 69 3.670 -11.498 14.585 1.00 0.00 C ATOM 1140 CE LYS A 69 3.610 -12.556 15.676 1.00 0.00 C ATOM 1141 NZ LYS A 69 4.105 -13.877 15.204 1.00 0.00 N ATOM 0 H LYS A 69 5.698 -8.417 11.436 1.00 0.00 H new ATOM 0 HA LYS A 69 7.311 -10.082 13.083 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.939 -9.267 13.496 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.397 -10.388 12.263 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.428 -12.263 13.620 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.756 -11.095 14.886 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.307 -10.548 14.977 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.007 -11.779 13.767 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.205 -12.230 16.529 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.582 -12.658 16.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.861 -14.609 15.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.663 -14.108 14.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.138 -13.840 15.089 1.00 0.00 H new ATOM 1155 N LEU A 70 6.578 -11.162 10.141 1.00 0.00 N ATOM 1156 CA LEU A 70 6.793 -12.224 9.169 1.00 0.00 C ATOM 1157 C LEU A 70 8.291 -12.434 8.946 1.00 0.00 C ATOM 1158 O LEU A 70 8.714 -13.455 8.407 1.00 0.00 O ATOM 1159 CB LEU A 70 6.103 -11.870 7.846 1.00 0.00 C ATOM 1160 CG LEU A 70 6.102 -12.965 6.778 1.00 0.00 C ATOM 1161 CD1 LEU A 70 5.224 -14.127 7.210 1.00 0.00 C ATOM 1162 CD2 LEU A 70 5.630 -12.404 5.445 1.00 0.00 C ATOM 0 H LEU A 70 6.280 -10.277 9.732 1.00 0.00 H new ATOM 0 HA LEU A 70 6.363 -13.150 9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.070 -11.597 8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.587 -10.986 7.431 1.00 0.00 H new ATOM 0 HG LEU A 70 7.121 -13.332 6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.234 -14.897 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.604 -14.543 8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.203 -13.776 7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.635 -13.195 4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.619 -12.012 5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.298 -11.602 5.131 1.00 0.00 H new ATOM 1174 N GLY A 71 9.086 -11.449 9.355 1.00 0.00 N ATOM 1175 CA GLY A 71 10.528 -11.570 9.265 1.00 0.00 C ATOM 1176 C GLY A 71 11.115 -10.743 8.138 1.00 0.00 C ATOM 1177 O GLY A 71 12.294 -10.386 8.171 1.00 0.00 O ATOM 0 H GLY A 71 8.755 -10.568 9.748 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.974 -11.259 10.209 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.792 -12.617 9.118 1.00 0.00 H new ATOM 1181 N TYR A 72 10.290 -10.424 7.151 1.00 0.00 N ATOM 1182 CA TYR A 72 10.750 -9.698 5.972 1.00 0.00 C ATOM 1183 C TYR A 72 10.645 -8.195 6.183 1.00 0.00 C ATOM 1184 O TYR A 72 9.562 -7.617 6.092 1.00 0.00 O ATOM 1185 CB TYR A 72 9.945 -10.115 4.741 1.00 0.00 C ATOM 1186 CG TYR A 72 10.102 -11.576 4.382 1.00 0.00 C ATOM 1187 CD1 TYR A 72 11.148 -11.998 3.573 1.00 0.00 C ATOM 1188 CD2 TYR A 72 9.207 -12.529 4.850 1.00 0.00 C ATOM 1189 CE1 TYR A 72 11.300 -13.330 3.242 1.00 0.00 C ATOM 1190 CE2 TYR A 72 9.353 -13.864 4.524 1.00 0.00 C ATOM 1191 CZ TYR A 72 10.400 -14.259 3.718 1.00 0.00 C ATOM 1192 OH TYR A 72 10.548 -15.587 3.389 1.00 0.00 O ATOM 0 H TYR A 72 9.297 -10.656 7.142 1.00 0.00 H new ATOM 0 HA TYR A 72 11.798 -9.948 5.809 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.890 -9.904 4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 72 10.254 -9.505 3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.854 -11.273 3.196 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.384 -12.222 5.478 1.00 0.00 H new ATOM 0 HE1 TYR A 72 12.120 -13.642 2.613 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.651 -14.594 4.898 1.00 0.00 H new ATOM 0 HH TYR A 72 9.831 -16.109 3.806 1.00 0.00 H new ATOM 1202 N LEU A 73 11.779 -7.566 6.454 1.00 0.00 N ATOM 1203 CA LEU A 73 11.817 -6.137 6.725 1.00 0.00 C ATOM 1204 C LEU A 73 11.734 -5.330 5.439 1.00 0.00 C ATOM 1205 O LEU A 73 11.016 -4.331 5.373 1.00 0.00 O ATOM 1206 CB LEU A 73 13.083 -5.769 7.502 1.00 0.00 C ATOM 1207 CG LEU A 73 13.155 -6.338 8.917 1.00 0.00 C ATOM 1208 CD1 LEU A 73 14.434 -5.894 9.610 1.00 0.00 C ATOM 1209 CD2 LEU A 73 11.935 -5.913 9.721 1.00 0.00 C ATOM 0 H LEU A 73 12.689 -8.025 6.492 1.00 0.00 H new ATOM 0 HA LEU A 73 10.948 -5.891 7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.950 -6.117 6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.155 -4.683 7.558 1.00 0.00 H new ATOM 0 HG LEU A 73 13.164 -7.426 8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.466 -6.310 10.617 1.00 0.00 H new ATOM 0 HD12 LEU A 73 15.296 -6.247 9.044 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.458 -4.806 9.666 1.00 0.00 H new ATOM 0 HD21 LEU A 73 12.001 -6.326 10.727 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.897 -4.825 9.777 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.032 -6.283 9.235 1.00 0.00 H new ATOM 1221 N GLU A 74 12.460 -5.764 4.412 1.00 0.00 N ATOM 1222 CA GLU A 74 12.419 -5.079 3.126 1.00 0.00 C ATOM 1223 C GLU A 74 11.022 -5.138 2.527 1.00 0.00 C ATOM 1224 O GLU A 74 10.556 -4.164 1.948 1.00 0.00 O ATOM 1225 CB GLU A 74 13.444 -5.646 2.139 1.00 0.00 C ATOM 1226 CG GLU A 74 14.852 -5.117 2.362 1.00 0.00 C ATOM 1227 CD GLU A 74 15.794 -5.456 1.223 1.00 0.00 C ATOM 1228 OE1 GLU A 74 15.754 -4.763 0.183 1.00 0.00 O ATOM 1229 OE2 GLU A 74 16.589 -6.404 1.366 1.00 0.00 O ATOM 0 H GLU A 74 13.076 -6.576 4.445 1.00 0.00 H new ATOM 0 HA GLU A 74 12.681 -4.037 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.455 -6.733 2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.130 -5.407 1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.813 -4.035 2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.248 -5.530 3.290 1.00 0.00 H new ATOM 1236 N ILE A 75 10.347 -6.268 2.685 1.00 0.00 N ATOM 1237 CA ILE A 75 8.986 -6.404 2.182 1.00 0.00 C ATOM 1238 C ILE A 75 8.039 -5.486 2.949 1.00 0.00 C ATOM 1239 O ILE A 75 7.192 -4.825 2.352 1.00 0.00 O ATOM 1240 CB ILE A 75 8.482 -7.863 2.249 1.00 0.00 C ATOM 1241 CG1 ILE A 75 9.327 -8.747 1.327 1.00 0.00 C ATOM 1242 CG2 ILE A 75 7.007 -7.943 1.867 1.00 0.00 C ATOM 1243 CD1 ILE A 75 8.806 -10.160 1.189 1.00 0.00 C ATOM 0 H ILE A 75 10.714 -7.097 3.153 1.00 0.00 H new ATOM 0 HA ILE A 75 9.001 -6.110 1.132 1.00 0.00 H new ATOM 0 HB ILE A 75 8.583 -8.223 3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.371 -8.288 0.339 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.348 -8.782 1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.673 -8.979 1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.419 -7.336 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.874 -7.571 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.457 -10.724 0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.788 -10.639 2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.797 -10.137 0.778 1.00 0.00 H new ATOM 1255 N ALA A 76 8.207 -5.426 4.267 1.00 0.00 N ATOM 1256 CA ALA A 76 7.405 -4.535 5.098 1.00 0.00 C ATOM 1257 C ALA A 76 7.598 -3.084 4.669 1.00 0.00 C ATOM 1258 O ALA A 76 6.633 -2.331 4.529 1.00 0.00 O ATOM 1259 CB ALA A 76 7.767 -4.708 6.566 1.00 0.00 C ATOM 0 H ALA A 76 8.890 -5.983 4.781 1.00 0.00 H new ATOM 0 HA ALA A 76 6.355 -4.795 4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.160 -4.036 7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.580 -5.738 6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.822 -4.474 6.711 1.00 0.00 H new ATOM 1265 N MET A 77 8.851 -2.704 4.447 1.00 0.00 N ATOM 1266 CA MET A 77 9.170 -1.361 3.979 1.00 0.00 C ATOM 1267 C MET A 77 8.633 -1.136 2.569 1.00 0.00 C ATOM 1268 O MET A 77 8.144 -0.055 2.254 1.00 0.00 O ATOM 1269 CB MET A 77 10.679 -1.109 4.013 1.00 0.00 C ATOM 1270 CG MET A 77 11.264 -1.093 5.415 1.00 0.00 C ATOM 1271 SD MET A 77 13.014 -0.659 5.439 1.00 0.00 S ATOM 1272 CE MET A 77 13.720 -1.998 4.477 1.00 0.00 C ATOM 0 H MET A 77 9.662 -3.307 4.584 1.00 0.00 H new ATOM 0 HA MET A 77 8.688 -0.654 4.654 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.180 -1.880 3.428 1.00 0.00 H new ATOM 0 HB3 MET A 77 10.890 -0.155 3.530 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.710 -0.381 6.027 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.132 -2.075 5.870 1.00 0.00 H new ATOM 0 HE1 MET A 77 14.807 -1.914 4.480 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.428 -2.953 4.914 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.355 -1.941 3.452 1.00 0.00 H new ATOM 1282 N ARG A 78 8.720 -2.161 1.728 1.00 0.00 N ATOM 1283 CA ARG A 78 8.221 -2.076 0.360 1.00 0.00 C ATOM 1284 C ARG A 78 6.719 -1.850 0.336 1.00 0.00 C ATOM 1285 O ARG A 78 6.236 -0.979 -0.384 1.00 0.00 O ATOM 1286 CB ARG A 78 8.578 -3.332 -0.442 1.00 0.00 C ATOM 1287 CG ARG A 78 10.009 -3.322 -0.949 1.00 0.00 C ATOM 1288 CD ARG A 78 10.354 -4.581 -1.725 1.00 0.00 C ATOM 1289 NE ARG A 78 11.709 -4.508 -2.262 1.00 0.00 N ATOM 1290 CZ ARG A 78 12.575 -5.519 -2.275 1.00 0.00 C ATOM 1291 NH1 ARG A 78 12.207 -6.730 -1.871 1.00 0.00 N ATOM 1292 NH2 ARG A 78 13.806 -5.322 -2.727 1.00 0.00 N ATOM 0 H ARG A 78 9.132 -3.062 1.970 1.00 0.00 H new ATOM 0 HA ARG A 78 8.707 -1.220 -0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.425 -4.212 0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.898 -3.421 -1.289 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.160 -2.452 -1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.691 -3.220 -0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.263 -5.450 -1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.643 -4.717 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 78 12.015 -3.618 -2.656 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.253 -6.892 -1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.878 -7.498 -1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.085 -4.400 -3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.474 -6.093 -2.739 1.00 0.00 H new ATOM 1306 N VAL A 79 5.985 -2.623 1.128 1.00 0.00 N ATOM 1307 CA VAL A 79 4.537 -2.468 1.216 1.00 0.00 C ATOM 1308 C VAL A 79 4.187 -1.078 1.729 1.00 0.00 C ATOM 1309 O VAL A 79 3.268 -0.430 1.223 1.00 0.00 O ATOM 1310 CB VAL A 79 3.902 -3.542 2.126 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.406 -3.312 2.285 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.168 -4.927 1.562 1.00 0.00 C ATOM 0 H VAL A 79 6.367 -3.362 1.718 1.00 0.00 H new ATOM 0 HA VAL A 79 4.130 -2.597 0.213 1.00 0.00 H new ATOM 0 HB VAL A 79 4.359 -3.467 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.986 -4.083 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.234 -2.332 2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.925 -3.356 1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.716 -5.677 2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.736 -5.003 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.243 -5.096 1.505 1.00 0.00 H new ATOM 1322 N LYS A 80 4.940 -0.618 2.722 1.00 0.00 N ATOM 1323 CA LYS A 80 4.781 0.736 3.234 1.00 0.00 C ATOM 1324 C LYS A 80 5.027 1.751 2.123 1.00 0.00 C ATOM 1325 O LYS A 80 4.276 2.708 1.970 1.00 0.00 O ATOM 1326 CB LYS A 80 5.746 0.994 4.396 1.00 0.00 C ATOM 1327 CG LYS A 80 5.662 2.409 4.957 1.00 0.00 C ATOM 1328 CD LYS A 80 6.605 2.609 6.132 1.00 0.00 C ATOM 1329 CE LYS A 80 8.067 2.521 5.718 1.00 0.00 C ATOM 1330 NZ LYS A 80 8.455 3.608 4.778 1.00 0.00 N ATOM 0 H LYS A 80 5.666 -1.163 3.187 1.00 0.00 H new ATOM 0 HA LYS A 80 3.760 0.845 3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.538 0.282 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.765 0.806 4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.903 3.126 4.172 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.639 2.614 5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.416 3.582 6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.399 1.857 6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.697 2.570 6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.252 1.555 5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.591 3.212 3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.704 4.327 4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.342 4.046 5.100 1.00 0.00 H new ATOM 1344 N GLN A 81 6.080 1.524 1.348 1.00 0.00 N ATOM 1345 CA GLN A 81 6.451 2.423 0.264 1.00 0.00 C ATOM 1346 C GLN A 81 5.368 2.465 -0.810 1.00 0.00 C ATOM 1347 O GLN A 81 5.003 3.544 -1.286 1.00 0.00 O ATOM 1348 CB GLN A 81 7.787 1.993 -0.341 1.00 0.00 C ATOM 1349 CG GLN A 81 8.802 3.121 -0.431 1.00 0.00 C ATOM 1350 CD GLN A 81 9.071 3.778 0.912 1.00 0.00 C ATOM 1351 OE1 GLN A 81 8.962 3.147 1.966 1.00 0.00 O ATOM 1352 NE2 GLN A 81 9.426 5.053 0.887 1.00 0.00 N ATOM 0 H GLN A 81 6.696 0.718 1.452 1.00 0.00 H new ATOM 0 HA GLN A 81 6.555 3.428 0.674 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.206 1.185 0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.612 1.591 -1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.737 2.731 -0.834 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.442 3.873 -1.133 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.506 5.543 -0.004 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.620 5.546 1.759 1.00 0.00 H new ATOM 1361 N TYR A 82 4.853 1.294 -1.189 1.00 0.00 N ATOM 1362 CA TYR A 82 3.740 1.224 -2.135 1.00 0.00 C ATOM 1363 C TYR A 82 2.571 2.037 -1.601 1.00 0.00 C ATOM 1364 O TYR A 82 2.018 2.893 -2.294 1.00 0.00 O ATOM 1365 CB TYR A 82 3.265 -0.219 -2.355 1.00 0.00 C ATOM 1366 CG TYR A 82 4.325 -1.199 -2.810 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.276 -0.857 -3.765 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.353 -2.487 -2.290 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.226 -1.774 -4.183 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.298 -3.404 -2.699 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.230 -3.046 -3.645 1.00 0.00 C ATOM 1372 OH TYR A 82 7.167 -3.969 -4.056 1.00 0.00 O ATOM 0 H TYR A 82 5.186 0.388 -0.858 1.00 0.00 H new ATOM 0 HA TYR A 82 4.093 1.622 -3.086 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.834 -0.586 -1.423 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.464 -0.209 -3.095 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.274 0.137 -4.187 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.620 -2.776 -1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.959 -1.496 -4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.306 -4.399 -2.278 1.00 0.00 H new ATOM 0 HH TYR A 82 7.891 -3.511 -4.531 1.00 0.00 H new ATOM 1382 N ALA A 83 2.220 1.768 -0.349 1.00 0.00 N ATOM 1383 CA ALA A 83 1.104 2.431 0.303 1.00 0.00 C ATOM 1384 C ALA A 83 1.327 3.935 0.402 1.00 0.00 C ATOM 1385 O ALA A 83 0.397 4.708 0.217 1.00 0.00 O ATOM 1386 CB ALA A 83 0.872 1.837 1.683 1.00 0.00 C ATOM 0 H ALA A 83 2.701 1.087 0.238 1.00 0.00 H new ATOM 0 HA ALA A 83 0.216 2.268 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.033 2.343 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.649 0.774 1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.768 1.967 2.290 1.00 0.00 H new ATOM 1392 N THR A 84 2.564 4.343 0.675 1.00 0.00 N ATOM 1393 CA THR A 84 2.898 5.759 0.796 1.00 0.00 C ATOM 1394 C THR A 84 2.558 6.513 -0.492 1.00 0.00 C ATOM 1395 O THR A 84 2.046 7.637 -0.452 1.00 0.00 O ATOM 1396 CB THR A 84 4.392 5.955 1.139 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.707 5.266 2.355 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.738 7.431 1.292 1.00 0.00 C ATOM 0 H THR A 84 3.352 3.712 0.817 1.00 0.00 H new ATOM 0 HA THR A 84 2.299 6.166 1.611 1.00 0.00 H new ATOM 0 HB THR A 84 4.980 5.547 0.317 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.552 4.306 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.796 7.534 1.533 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.526 7.953 0.359 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.140 7.864 2.094 1.00 0.00 H new ATOM 1406 N ALA A 85 2.820 5.879 -1.631 1.00 0.00 N ATOM 1407 CA ALA A 85 2.493 6.465 -2.922 1.00 0.00 C ATOM 1408 C ALA A 85 0.980 6.525 -3.112 1.00 0.00 C ATOM 1409 O ALA A 85 0.447 7.506 -3.635 1.00 0.00 O ATOM 1410 CB ALA A 85 3.146 5.672 -4.044 1.00 0.00 C ATOM 0 H ALA A 85 3.258 4.959 -1.684 1.00 0.00 H new ATOM 0 HA ALA A 85 2.881 7.483 -2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.892 6.123 -5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.228 5.681 -3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.786 4.643 -4.020 1.00 0.00 H new ATOM 1416 N ILE A 86 0.298 5.474 -2.667 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.158 5.411 -2.735 1.00 0.00 C ATOM 1418 C ILE A 86 -1.779 6.471 -1.829 1.00 0.00 C ATOM 1419 O ILE A 86 -2.751 7.128 -2.197 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.684 4.019 -2.317 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -1.015 2.927 -3.153 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.199 3.951 -2.468 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.366 1.520 -2.716 1.00 0.00 C ATOM 0 H ILE A 86 0.734 4.650 -2.253 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.443 5.596 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.436 3.856 -1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.301 3.055 -4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.066 3.054 -3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.550 2.964 -2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.662 4.708 -1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.470 4.133 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.854 0.802 -3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.054 1.372 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.443 1.373 -2.795 1.00 0.00 H new ATOM 1435 N MET A 87 -1.198 6.639 -0.648 1.00 0.00 N ATOM 1436 CA MET A 87 -1.683 7.616 0.318 1.00 0.00 C ATOM 1437 C MET A 87 -1.578 9.028 -0.237 1.00 0.00 C ATOM 1438 O MET A 87 -2.460 9.850 -0.014 1.00 0.00 O ATOM 1439 CB MET A 87 -0.906 7.514 1.631 1.00 0.00 C ATOM 1440 CG MET A 87 -1.073 6.181 2.337 1.00 0.00 C ATOM 1441 SD MET A 87 -0.043 6.043 3.806 1.00 0.00 S ATOM 1442 CE MET A 87 -0.221 4.300 4.172 1.00 0.00 C ATOM 0 H MET A 87 -0.385 6.108 -0.335 1.00 0.00 H new ATOM 0 HA MET A 87 -2.732 7.395 0.513 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.153 7.679 1.430 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.232 8.312 2.298 1.00 0.00 H new ATOM 0 HG2 MET A 87 -2.118 6.051 2.617 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.825 5.375 1.647 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.177 4.094 5.165 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.276 4.027 4.141 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.327 3.715 3.433 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.507 9.310 -0.972 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.339 10.629 -1.570 1.00 0.00 C ATOM 1454 C ARG A 88 -1.406 10.851 -2.637 1.00 0.00 C ATOM 1455 O ARG A 88 -1.898 11.964 -2.824 1.00 0.00 O ATOM 1456 CB ARG A 88 1.056 10.792 -2.175 1.00 0.00 C ATOM 1457 CG ARG A 88 1.452 12.247 -2.368 1.00 0.00 C ATOM 1458 CD ARG A 88 2.783 12.384 -3.089 1.00 0.00 C ATOM 1459 NE ARG A 88 2.665 12.119 -4.521 1.00 0.00 N ATOM 1460 CZ ARG A 88 3.342 12.789 -5.455 1.00 0.00 C ATOM 1461 NH1 ARG A 88 4.225 13.717 -5.103 1.00 0.00 N ATOM 1462 NH2 ARG A 88 3.150 12.517 -6.739 1.00 0.00 N ATOM 0 H ARG A 88 0.248 8.652 -1.166 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.451 11.377 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.786 10.305 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.091 10.281 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.677 12.761 -2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.514 12.738 -1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.174 13.390 -2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.504 11.693 -2.652 1.00 0.00 H new ATOM 0 HE ARG A 88 2.030 11.381 -4.823 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.387 13.919 -4.116 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.741 14.228 -5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.484 11.795 -7.013 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.668 13.030 -7.452 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.770 9.774 -3.324 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.846 9.813 -4.303 1.00 0.00 C ATOM 1478 C TYR A 89 -4.180 10.035 -3.588 1.00 0.00 C ATOM 1479 O TYR A 89 -5.047 10.765 -4.073 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.863 8.503 -5.106 1.00 0.00 C ATOM 1481 CG TYR A 89 -3.872 8.469 -6.235 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -3.626 9.129 -7.433 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -5.066 7.771 -6.104 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.543 9.097 -8.467 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -5.987 7.733 -7.133 1.00 0.00 C ATOM 1486 CZ TYR A 89 -5.722 8.397 -8.312 1.00 0.00 C ATOM 1487 OH TYR A 89 -6.641 8.364 -9.338 1.00 0.00 O ATOM 0 H TYR A 89 -1.332 8.859 -3.219 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.685 10.638 -4.997 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.869 8.333 -5.519 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.071 7.677 -4.425 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.703 9.676 -7.558 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.278 7.249 -5.182 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.338 9.617 -9.391 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.910 7.186 -7.014 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.415 7.827 -9.067 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.314 9.417 -2.419 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.493 9.580 -1.577 1.00 0.00 C ATOM 1499 C ALA A 90 -5.601 11.011 -1.060 1.00 0.00 C ATOM 1500 O ALA A 90 -6.701 11.552 -0.924 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.446 8.602 -0.414 1.00 0.00 C ATOM 0 H ALA A 90 -3.610 8.790 -2.030 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.376 9.370 -2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.332 8.733 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.420 7.582 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.553 8.789 0.183 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.455 11.612 -0.760 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.395 13.012 -0.351 1.00 0.00 C ATOM 1509 C VAL A 91 -4.995 13.904 -1.432 1.00 0.00 C ATOM 1510 O VAL A 91 -5.815 14.778 -1.151 1.00 0.00 O ATOM 1511 CB VAL A 91 -2.938 13.455 -0.075 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -2.844 14.963 0.119 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.379 12.734 1.140 1.00 0.00 C ATOM 0 H VAL A 91 -3.547 11.148 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.970 13.112 0.569 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.342 13.188 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.808 15.241 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.195 15.468 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.462 15.260 0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.354 13.060 1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.989 12.966 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.393 11.659 0.963 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.611 13.639 -2.672 1.00 0.00 N ATOM 1524 CA GLN A 92 -5.053 14.437 -3.807 1.00 0.00 C ATOM 1525 C GLN A 92 -6.516 14.148 -4.157 1.00 0.00 C ATOM 1526 O GLN A 92 -7.086 14.772 -5.053 1.00 0.00 O ATOM 1527 CB GLN A 92 -4.144 14.168 -5.007 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.684 14.494 -4.733 1.00 0.00 C ATOM 1529 CD GLN A 92 -1.753 14.104 -5.868 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -0.721 14.741 -6.083 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -2.100 13.053 -6.595 1.00 0.00 N ATOM 0 H GLN A 92 -3.988 12.870 -2.919 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.987 15.491 -3.537 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -4.229 13.119 -5.292 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.489 14.758 -5.856 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.588 15.563 -4.546 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.370 13.982 -3.824 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.963 12.551 -6.386 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.504 12.746 -7.364 1.00 0.00 H new ATOM 1540 N GLN A 93 -7.110 13.194 -3.449 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.527 12.884 -3.597 1.00 0.00 C ATOM 1542 C GLN A 93 -9.300 13.281 -2.344 1.00 0.00 C ATOM 1543 O GLN A 93 -10.479 12.955 -2.204 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.729 11.395 -3.880 1.00 0.00 C ATOM 1545 CG GLN A 93 -8.428 10.995 -5.314 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.607 9.510 -5.545 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -8.376 8.700 -4.651 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -9.032 9.140 -6.744 1.00 0.00 N ATOM 0 H GLN A 93 -6.627 12.617 -2.761 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.908 13.457 -4.442 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.091 10.818 -3.211 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.760 11.127 -3.647 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.083 11.547 -5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.405 11.278 -5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.213 9.843 -7.460 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.178 8.152 -6.951 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.610 13.966 -1.428 1.00 0.00 N ATOM 1558 CA LYS A 94 -9.218 14.490 -0.202 1.00 0.00 C ATOM 1559 C LYS A 94 -9.652 13.360 0.739 1.00 0.00 C ATOM 1560 O LYS A 94 -10.400 13.582 1.689 1.00 0.00 O ATOM 1561 CB LYS A 94 -10.425 15.376 -0.543 1.00 0.00 C ATOM 1562 CG LYS A 94 -10.881 16.270 0.600 1.00 0.00 C ATOM 1563 CD LYS A 94 -12.025 17.175 0.179 1.00 0.00 C ATOM 1564 CE LYS A 94 -12.546 17.993 1.349 1.00 0.00 C ATOM 1565 NZ LYS A 94 -13.160 17.137 2.399 1.00 0.00 N ATOM 0 H LYS A 94 -7.615 14.173 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.464 15.087 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.173 16.000 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.256 14.739 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.195 15.653 1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.044 16.877 0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.689 17.844 -0.613 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.834 16.573 -0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.727 18.567 1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.283 18.711 0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.721 17.728 3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.778 16.430 1.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.411 16.653 2.934 1.00 0.00 H new ATOM 1579 N MET A 95 -9.160 12.154 0.500 1.00 0.00 N ATOM 1580 CA MET A 95 -9.604 11.000 1.270 1.00 0.00 C ATOM 1581 C MET A 95 -9.034 11.028 2.685 1.00 0.00 C ATOM 1582 O MET A 95 -9.775 10.939 3.664 1.00 0.00 O ATOM 1583 CB MET A 95 -9.222 9.692 0.574 1.00 0.00 C ATOM 1584 CG MET A 95 -9.735 9.588 -0.853 1.00 0.00 C ATOM 1585 SD MET A 95 -10.033 7.887 -1.370 1.00 0.00 S ATOM 1586 CE MET A 95 -8.472 7.099 -0.986 1.00 0.00 C ATOM 0 H MET A 95 -8.460 11.949 -0.213 1.00 0.00 H new ATOM 0 HA MET A 95 -10.691 11.052 1.336 1.00 0.00 H new ATOM 0 HB2 MET A 95 -8.136 9.597 0.568 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.612 8.855 1.153 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.660 10.157 -0.943 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.012 10.046 -1.528 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.565 6.022 -1.122 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.697 7.483 -1.650 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.202 7.312 0.048 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.720 11.167 2.793 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.064 11.150 4.097 1.00 0.00 C ATOM 1598 C ILE A 96 -6.553 12.534 4.492 1.00 0.00 C ATOM 1599 O ILE A 96 -6.029 12.711 5.592 1.00 0.00 O ATOM 1600 CB ILE A 96 -5.893 10.147 4.126 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -4.905 10.437 2.991 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -6.416 8.723 4.032 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -3.709 9.509 2.976 1.00 0.00 C ATOM 0 H ILE A 96 -7.089 11.292 2.001 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.819 10.837 4.818 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.364 10.259 5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.427 10.359 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.555 11.466 3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.579 8.026 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.077 8.522 4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -6.968 8.599 3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.054 9.774 2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.163 9.604 3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.048 8.480 2.856 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.731 13.508 3.590 1.00 0.00 N ATOM 1616 CA ARG A 97 -6.271 14.891 3.797 1.00 0.00 C ATOM 1617 C ARG A 97 -4.747 14.990 3.738 1.00 0.00 C ATOM 1618 O ARG A 97 -4.193 15.633 2.851 1.00 0.00 O ATOM 1619 CB ARG A 97 -6.769 15.459 5.128 1.00 0.00 C ATOM 1620 CG ARG A 97 -8.280 15.513 5.253 1.00 0.00 C ATOM 1621 CD ARG A 97 -8.687 15.937 6.650 1.00 0.00 C ATOM 1622 NE ARG A 97 -10.135 15.999 6.810 1.00 0.00 N ATOM 1623 CZ ARG A 97 -10.796 15.404 7.801 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -10.147 14.641 8.674 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -12.107 15.563 7.912 1.00 0.00 N ATOM 0 H ARG A 97 -7.198 13.361 2.695 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.693 15.483 2.985 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.370 14.853 5.941 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.369 16.465 5.254 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.686 16.213 4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.704 14.535 5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.273 15.236 7.375 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.257 16.914 6.870 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.672 16.528 6.123 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.139 14.510 8.586 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.656 14.187 9.432 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -12.609 16.141 7.238 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -12.614 15.107 8.671 1.00 0.00 H new ATOM 1639 N PHE A 98 -4.082 14.351 4.689 1.00 0.00 N ATOM 1640 CA PHE A 98 -2.628 14.375 4.766 1.00 0.00 C ATOM 1641 C PHE A 98 -2.095 12.950 4.779 1.00 0.00 C ATOM 1642 O PHE A 98 -2.844 12.010 5.035 1.00 0.00 O ATOM 1643 CB PHE A 98 -2.165 15.116 6.026 1.00 0.00 C ATOM 1644 CG PHE A 98 -2.640 16.542 6.104 1.00 0.00 C ATOM 1645 CD1 PHE A 98 -2.012 17.537 5.371 1.00 0.00 C ATOM 1646 CD2 PHE A 98 -3.717 16.884 6.907 1.00 0.00 C ATOM 1647 CE1 PHE A 98 -2.449 18.846 5.438 1.00 0.00 C ATOM 1648 CE2 PHE A 98 -4.158 18.192 6.977 1.00 0.00 C ATOM 1649 CZ PHE A 98 -3.524 19.173 6.242 1.00 0.00 C ATOM 0 H PHE A 98 -4.531 13.805 5.424 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.240 14.902 3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.520 14.577 6.904 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.076 15.104 6.063 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.172 17.286 4.741 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.217 16.120 7.484 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.951 19.612 4.863 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.998 18.446 7.606 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.868 20.195 6.295 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.808 12.791 4.504 1.00 0.00 N ATOM 1660 CA ASN A 99 -0.201 11.466 4.466 1.00 0.00 C ATOM 1661 C ASN A 99 0.288 11.075 5.857 1.00 0.00 C ATOM 1662 O ASN A 99 1.235 11.665 6.382 1.00 0.00 O ATOM 1663 CB ASN A 99 0.950 11.434 3.453 1.00 0.00 C ATOM 1664 CG ASN A 99 1.469 10.030 3.186 1.00 0.00 C ATOM 1665 OD1 ASN A 99 1.505 9.177 4.073 1.00 0.00 O ATOM 1666 ND2 ASN A 99 1.875 9.779 1.951 1.00 0.00 N ATOM 0 H ASN A 99 -0.166 13.558 4.305 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.951 10.742 4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.613 11.875 2.515 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.768 12.054 3.821 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.232 8.855 1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.831 10.510 1.241 1.00 0.00 H new ATOM 1673 N PRO A 100 -0.362 10.075 6.473 1.00 0.00 N ATOM 1674 CA PRO A 100 -0.081 9.673 7.853 1.00 0.00 C ATOM 1675 C PRO A 100 1.168 8.803 7.999 1.00 0.00 C ATOM 1676 O PRO A 100 1.744 8.720 9.082 1.00 0.00 O ATOM 1677 CB PRO A 100 -1.332 8.885 8.242 1.00 0.00 C ATOM 1678 CG PRO A 100 -1.834 8.306 6.964 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.440 9.265 5.871 1.00 0.00 C ATOM 0 HA PRO A 100 0.125 10.537 8.485 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.098 8.103 8.965 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.079 9.532 8.703 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.402 7.321 6.789 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.916 8.178 6.995 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.093 8.736 4.983 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.281 9.886 5.564 1.00 0.00 H new ATOM 1687 N ALA A 101 1.589 8.159 6.915 1.00 0.00 N ATOM 1688 CA ALA A 101 2.762 7.289 6.957 1.00 0.00 C ATOM 1689 C ALA A 101 4.027 8.081 6.657 1.00 0.00 C ATOM 1690 O ALA A 101 5.069 7.878 7.281 1.00 0.00 O ATOM 1691 CB ALA A 101 2.612 6.137 5.975 1.00 0.00 C ATOM 0 H ALA A 101 1.140 8.221 6.001 1.00 0.00 H new ATOM 0 HA ALA A 101 2.843 6.876 7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.496 5.501 6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.730 5.551 6.233 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.502 6.532 4.965 1.00 0.00 H new