USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -1.25 K(o=-1.4,f=0.61) USER MOD Set 1.2: A 102 TYR OH : rot 0:sc= -0.107 USER MOD Set 2.1: A 78 MET CE :methyl -179:sc= -0.95 (180deg=-0.954) USER MOD Set 2.2: A 93 TYR OH : rot -172:sc= 1.14 USER MOD Set 3.1: A 83 TYR OH : rot 30:sc= -0.133 USER MOD Set 3.2: A 92 HIS : no HD1:sc= -0.895 K(o=-1,f=0.72) USER MOD Set 4.1: A 24 SER OG : rot -120:sc= 0.0143 USER MOD Set 4.2: A 26 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-0.92) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0192 K(o=-0.019,f=-0.86) USER MOD Single : A 33 MET CE :methyl -163:sc= -0.258 (180deg=-0.895) USER MOD Single : A 34 THR OG1 : rot -60:sc= 1.38 USER MOD Single : A 37 GLN : amide:sc= -0.0709 X(o=-0.071,f=-0.41) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -160:sc= 0.374 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -60:sc= 0.897 USER MOD Single : A 62 ASN : amide:sc= -0.96 X(o=-0.96,f=-0.7) USER MOD Single : A 64 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.097) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 71 THR OG1 : rot 96:sc= -0.885 USER MOD Single : A 73 ASN : amide:sc= -0.0485 K(o=-0.048,f=-1.8) USER MOD Single : A 74 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.19) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 77 MET CE :methyl 163:sc= -0.209 (180deg=-0.914) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 85 SER OG : rot 24:sc= 1.12 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc=-0.00261 X(o=-0.0026,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -156:sc= -0.518 (180deg=-1.65!) USER MOD Single : A 110 MET CE :methyl 146:sc= -0.784 (180deg=-2.24!) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -0.814 -3.221 -13.964 1.00 0.00 N ATOM 186 CA LYS A 16 -1.473 -2.009 -13.492 1.00 0.00 C ATOM 187 C LYS A 16 -0.460 -0.892 -13.264 1.00 0.00 C ATOM 188 O LYS A 16 0.737 -1.147 -13.122 1.00 0.00 O ATOM 189 CB LYS A 16 -2.238 -2.291 -12.197 1.00 0.00 C ATOM 190 CG LYS A 16 -3.135 -3.514 -12.274 1.00 0.00 C ATOM 191 CD LYS A 16 -4.437 -3.205 -12.995 1.00 0.00 C ATOM 192 CE LYS A 16 -5.270 -4.461 -13.204 1.00 0.00 C ATOM 193 NZ LYS A 16 -4.882 -5.183 -14.448 1.00 0.00 N ATOM 0 HA LYS A 16 -2.177 -1.686 -14.259 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.524 -2.426 -11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.845 -1.421 -11.947 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.612 -4.318 -12.793 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.351 -3.872 -11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.010 -2.479 -12.418 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.220 -2.746 -13.960 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.150 -5.124 -12.347 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.325 -4.193 -13.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.472 -6.033 -14.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.021 -4.560 -15.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.882 -5.461 -14.390 1.00 0.00 H new ATOM 207 N ILE A 17 -0.946 0.344 -13.229 1.00 0.00 N ATOM 208 CA ILE A 17 -0.082 1.498 -13.016 1.00 0.00 C ATOM 209 C ILE A 17 0.039 1.827 -11.532 1.00 0.00 C ATOM 210 O ILE A 17 1.077 2.304 -11.074 1.00 0.00 O ATOM 211 CB ILE A 17 -0.605 2.738 -13.764 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.437 3.858 -13.730 1.00 0.00 C ATOM 213 CG2 ILE A 17 -1.917 3.210 -13.156 1.00 0.00 C ATOM 214 CD1 ILE A 17 0.233 4.906 -14.802 1.00 0.00 C ATOM 0 H ILE A 17 -1.933 0.572 -13.345 1.00 0.00 H new ATOM 0 HA ILE A 17 0.900 1.234 -13.409 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.786 2.467 -14.804 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.409 4.340 -12.753 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.430 3.423 -13.843 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.273 4.087 -13.696 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.658 2.414 -13.227 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.761 3.467 -12.108 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.008 5.668 -14.718 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.290 4.437 -15.784 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.746 5.368 -14.677 1.00 0.00 H new ATOM 226 N TRP A 18 -1.029 1.568 -10.785 1.00 0.00 N ATOM 227 CA TRP A 18 -1.042 1.835 -9.351 1.00 0.00 C ATOM 228 C TRP A 18 -0.312 0.736 -8.587 1.00 0.00 C ATOM 229 O TRP A 18 0.083 0.924 -7.436 1.00 0.00 O ATOM 230 CB TRP A 18 -2.481 1.955 -8.847 1.00 0.00 C ATOM 231 CG TRP A 18 -3.381 0.870 -9.356 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.282 0.966 -10.378 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.468 -0.472 -8.866 1.00 0.00 C ATOM 234 NE1 TRP A 18 -4.925 -0.237 -10.552 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.442 -1.135 -9.637 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.817 -1.178 -7.851 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.779 -2.469 -9.423 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -3.152 -2.502 -7.640 1.00 0.00 C ATOM 239 CH2 TRP A 18 -4.126 -3.137 -8.423 1.00 0.00 C ATOM 0 H TRP A 18 -1.897 1.174 -11.148 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.524 2.778 -9.177 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.480 1.935 -7.757 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.884 2.922 -9.147 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.463 1.856 -10.963 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.644 -0.429 -11.249 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.065 -0.697 -7.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.530 -2.959 -10.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.655 -3.057 -6.858 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.366 -4.173 -8.233 1.00 0.00 H new ATOM 250 N PHE A 19 -0.137 -0.413 -9.232 1.00 0.00 N ATOM 251 CA PHE A 19 0.545 -1.542 -8.611 1.00 0.00 C ATOM 252 C PHE A 19 2.059 -1.386 -8.713 1.00 0.00 C ATOM 253 O PHE A 19 2.564 -0.676 -9.582 1.00 0.00 O ATOM 254 CB PHE A 19 0.110 -2.853 -9.272 1.00 0.00 C ATOM 255 CG PHE A 19 0.797 -4.064 -8.709 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.456 -4.552 -7.458 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.785 -4.715 -9.431 1.00 0.00 C ATOM 258 CE1 PHE A 19 1.087 -5.666 -6.937 1.00 0.00 C ATOM 259 CE2 PHE A 19 2.419 -5.830 -8.916 1.00 0.00 C ATOM 260 CZ PHE A 19 2.069 -6.306 -7.668 1.00 0.00 C ATOM 0 H PHE A 19 -0.458 -0.586 -10.184 1.00 0.00 H new ATOM 0 HA PHE A 19 0.271 -1.565 -7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.968 -2.969 -9.156 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.311 -2.796 -10.342 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.312 -4.056 -6.883 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.063 -4.347 -10.408 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.813 -6.035 -5.960 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.187 -6.328 -9.489 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.562 -7.178 -7.264 1.00 0.00 H new ATOM 270 N HIS A 20 2.778 -2.055 -7.817 1.00 0.00 N ATOM 271 CA HIS A 20 4.235 -1.991 -7.804 1.00 0.00 C ATOM 272 C HIS A 20 4.831 -3.280 -7.246 1.00 0.00 C ATOM 273 O HIS A 20 4.331 -3.833 -6.267 1.00 0.00 O ATOM 274 CB HIS A 20 4.707 -0.796 -6.975 1.00 0.00 C ATOM 275 CG HIS A 20 4.788 0.480 -7.755 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.981 1.031 -8.174 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.816 1.313 -8.193 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.738 2.149 -8.835 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.431 2.342 -8.861 1.00 0.00 N ATOM 0 H HIS A 20 2.375 -2.647 -7.091 1.00 0.00 H new ATOM 0 HA HIS A 20 4.578 -1.869 -8.831 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.027 -0.656 -6.135 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.688 -1.019 -6.557 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.753 1.191 -8.044 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.481 2.795 -9.279 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.956 3.128 -9.305 1.00 0.00 H new ATOM 287 N GLY A 21 5.902 -3.753 -7.876 1.00 0.00 N ATOM 288 CA GLY A 21 6.547 -4.974 -7.429 1.00 0.00 C ATOM 289 C GLY A 21 8.053 -4.929 -7.597 1.00 0.00 C ATOM 290 O GLY A 21 8.796 -5.378 -6.724 1.00 0.00 O ATOM 0 H GLY A 21 6.335 -3.312 -8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.306 -5.145 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.147 -5.819 -7.990 1.00 0.00 H new ATOM 294 N LYS A 22 8.505 -4.386 -8.722 1.00 0.00 N ATOM 295 CA LYS A 22 9.932 -4.283 -9.003 1.00 0.00 C ATOM 296 C LYS A 22 10.635 -3.435 -7.948 1.00 0.00 C ATOM 297 O LYS A 22 11.787 -3.692 -7.598 1.00 0.00 O ATOM 298 CB LYS A 22 10.158 -3.680 -10.391 1.00 0.00 C ATOM 299 CG LYS A 22 9.838 -2.197 -10.469 1.00 0.00 C ATOM 300 CD LYS A 22 9.998 -1.666 -11.884 1.00 0.00 C ATOM 301 CE LYS A 22 9.903 -0.149 -11.923 1.00 0.00 C ATOM 302 NZ LYS A 22 10.007 0.378 -13.312 1.00 0.00 N ATOM 0 H LYS A 22 7.903 -4.010 -9.455 1.00 0.00 H new ATOM 0 HA LYS A 22 10.355 -5.287 -8.977 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.197 -3.835 -10.680 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.543 -4.215 -11.115 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.817 -2.026 -10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.495 -1.646 -9.796 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.961 -1.982 -12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.228 -2.097 -12.525 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.956 0.167 -11.485 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.696 0.280 -11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.938 1.416 -13.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.921 0.098 -13.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.235 -0.011 -13.890 1.00 0.00 H new ATOM 316 N ILE A 23 9.934 -2.425 -7.444 1.00 0.00 N ATOM 317 CA ILE A 23 10.490 -1.541 -6.428 1.00 0.00 C ATOM 318 C ILE A 23 10.443 -2.191 -5.049 1.00 0.00 C ATOM 319 O ILE A 23 9.930 -3.298 -4.891 1.00 0.00 O ATOM 320 CB ILE A 23 9.738 -0.198 -6.376 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.304 -0.410 -5.886 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.743 0.465 -7.745 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.712 0.804 -5.206 1.00 0.00 C ATOM 0 H ILE A 23 8.979 -2.199 -7.723 1.00 0.00 H new ATOM 0 HA ILE A 23 11.528 -1.356 -6.705 1.00 0.00 H new ATOM 0 HB ILE A 23 10.248 0.460 -5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.676 -0.684 -6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.286 -1.250 -5.192 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.208 1.413 -7.692 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.771 0.646 -8.058 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.253 -0.188 -8.467 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.694 0.581 -4.885 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.317 1.066 -4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.697 1.641 -5.904 1.00 0.00 H new ATOM 335 N SER A 24 10.980 -1.493 -4.053 1.00 0.00 N ATOM 336 CA SER A 24 11.001 -2.003 -2.687 1.00 0.00 C ATOM 337 C SER A 24 10.399 -0.988 -1.719 1.00 0.00 C ATOM 338 O SER A 24 10.291 0.198 -2.032 1.00 0.00 O ATOM 339 CB SER A 24 12.434 -2.337 -2.267 1.00 0.00 C ATOM 340 OG SER A 24 12.450 -3.093 -1.068 1.00 0.00 O ATOM 0 H SER A 24 11.406 -0.573 -4.167 1.00 0.00 H new ATOM 0 HA SER A 24 10.399 -2.911 -2.655 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.928 -2.897 -3.061 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.000 -1.416 -2.128 1.00 0.00 H new ATOM 0 HG SER A 24 12.948 -2.604 -0.380 1.00 0.00 H new ATOM 346 N LYS A 25 10.008 -1.463 -0.542 1.00 0.00 N ATOM 347 CA LYS A 25 9.418 -0.600 0.474 1.00 0.00 C ATOM 348 C LYS A 25 10.106 0.761 0.499 1.00 0.00 C ATOM 349 O LYS A 25 9.489 1.784 0.204 1.00 0.00 O ATOM 350 CB LYS A 25 9.516 -1.258 1.852 1.00 0.00 C ATOM 351 CG LYS A 25 8.775 -0.503 2.941 1.00 0.00 C ATOM 352 CD LYS A 25 9.658 0.551 3.589 1.00 0.00 C ATOM 353 CE LYS A 25 10.506 -0.042 4.705 1.00 0.00 C ATOM 354 NZ LYS A 25 11.069 1.012 5.593 1.00 0.00 N ATOM 0 H LYS A 25 10.089 -2.442 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 25 8.368 -0.452 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.120 -2.272 1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.566 -1.343 2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.890 -0.027 2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.428 -1.205 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.307 0.997 2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.036 1.352 3.989 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.900 -0.729 5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.319 -0.625 4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.640 0.568 6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.668 1.653 5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.293 1.552 6.026 1.00 0.00 H new ATOM 368 N GLN A 26 11.388 0.764 0.851 1.00 0.00 N ATOM 369 CA GLN A 26 12.159 2.000 0.912 1.00 0.00 C ATOM 370 C GLN A 26 11.850 2.895 -0.283 1.00 0.00 C ATOM 371 O GLN A 26 11.501 4.064 -0.122 1.00 0.00 O ATOM 372 CB GLN A 26 13.656 1.690 0.959 1.00 0.00 C ATOM 373 CG GLN A 26 14.068 0.857 2.162 1.00 0.00 C ATOM 374 CD GLN A 26 13.999 -0.633 1.891 1.00 0.00 C ATOM 375 OE1 GLN A 26 14.283 -1.088 0.782 1.00 0.00 O ATOM 376 NE2 GLN A 26 13.621 -1.403 2.905 1.00 0.00 N ATOM 0 H GLN A 26 11.914 -0.074 1.098 1.00 0.00 H new ATOM 0 HA GLN A 26 11.876 2.530 1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.938 1.162 0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.212 2.627 0.969 1.00 0.00 H new ATOM 0 HG2 GLN A 26 15.084 1.123 2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.422 1.099 3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.395 -0.984 3.807 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.557 -2.413 2.782 1.00 0.00 H new ATOM 385 N GLU A 27 11.982 2.338 -1.483 1.00 0.00 N ATOM 386 CA GLU A 27 11.718 3.087 -2.706 1.00 0.00 C ATOM 387 C GLU A 27 10.306 3.666 -2.695 1.00 0.00 C ATOM 388 O GLU A 27 10.114 4.865 -2.896 1.00 0.00 O ATOM 389 CB GLU A 27 11.903 2.189 -3.931 1.00 0.00 C ATOM 390 CG GLU A 27 13.339 2.117 -4.421 1.00 0.00 C ATOM 391 CD GLU A 27 13.451 1.530 -5.815 1.00 0.00 C ATOM 392 OE1 GLU A 27 12.857 2.106 -6.750 1.00 0.00 O ATOM 393 OE2 GLU A 27 14.131 0.495 -5.971 1.00 0.00 O ATOM 0 H GLU A 27 12.270 1.371 -1.634 1.00 0.00 H new ATOM 0 HA GLU A 27 12.430 3.911 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.560 1.183 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.270 2.556 -4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.771 3.118 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.925 1.513 -3.728 1.00 0.00 H new ATOM 400 N ALA A 28 9.321 2.805 -2.459 1.00 0.00 N ATOM 401 CA ALA A 28 7.928 3.230 -2.420 1.00 0.00 C ATOM 402 C ALA A 28 7.788 4.595 -1.753 1.00 0.00 C ATOM 403 O ALA A 28 7.042 5.453 -2.224 1.00 0.00 O ATOM 404 CB ALA A 28 7.081 2.197 -1.692 1.00 0.00 C ATOM 0 H ALA A 28 9.463 1.809 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 28 7.573 3.318 -3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.043 2.528 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.147 1.241 -2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.446 2.081 -0.672 1.00 0.00 H new ATOM 410 N TYR A 29 8.511 4.788 -0.655 1.00 0.00 N ATOM 411 CA TYR A 29 8.465 6.048 0.078 1.00 0.00 C ATOM 412 C TYR A 29 8.999 7.194 -0.775 1.00 0.00 C ATOM 413 O TYR A 29 8.259 8.104 -1.146 1.00 0.00 O ATOM 414 CB TYR A 29 9.275 5.939 1.371 1.00 0.00 C ATOM 415 CG TYR A 29 8.464 5.464 2.555 1.00 0.00 C ATOM 416 CD1 TYR A 29 8.234 4.110 2.766 1.00 0.00 C ATOM 417 CD2 TYR A 29 7.929 6.369 3.464 1.00 0.00 C ATOM 418 CE1 TYR A 29 7.493 3.671 3.846 1.00 0.00 C ATOM 419 CE2 TYR A 29 7.188 5.939 4.547 1.00 0.00 C ATOM 420 CZ TYR A 29 6.972 4.590 4.734 1.00 0.00 C ATOM 421 OH TYR A 29 6.235 4.157 5.812 1.00 0.00 O ATOM 0 H TYR A 29 9.135 4.089 -0.253 1.00 0.00 H new ATOM 0 HA TYR A 29 7.424 6.258 0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.107 5.253 1.212 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.706 6.913 1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.642 3.388 2.074 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.096 7.426 3.321 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.322 2.615 3.995 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.780 6.656 5.244 1.00 0.00 H new ATOM 0 HH TYR A 29 5.942 4.929 6.340 1.00 0.00 H new ATOM 431 N ASN A 30 10.291 7.142 -1.084 1.00 0.00 N ATOM 432 CA ASN A 30 10.926 8.175 -1.893 1.00 0.00 C ATOM 433 C ASN A 30 10.097 8.476 -3.139 1.00 0.00 C ATOM 434 O ASN A 30 10.028 9.621 -3.589 1.00 0.00 O ATOM 435 CB ASN A 30 12.336 7.740 -2.298 1.00 0.00 C ATOM 436 CG ASN A 30 13.175 8.898 -2.804 1.00 0.00 C ATOM 437 OD1 ASN A 30 13.075 10.017 -2.302 1.00 0.00 O ATOM 438 ND2 ASN A 30 14.008 8.632 -3.804 1.00 0.00 N ATOM 0 H ASN A 30 10.918 6.395 -0.786 1.00 0.00 H new ATOM 0 HA ASN A 30 10.991 9.083 -1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.832 7.282 -1.442 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.269 6.977 -3.074 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.598 9.371 -4.186 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.058 7.689 -4.189 1.00 0.00 H new ATOM 445 N LEU A 31 9.471 7.443 -3.690 1.00 0.00 N ATOM 446 CA LEU A 31 8.645 7.596 -4.883 1.00 0.00 C ATOM 447 C LEU A 31 7.465 8.524 -4.613 1.00 0.00 C ATOM 448 O LEU A 31 7.249 9.498 -5.335 1.00 0.00 O ATOM 449 CB LEU A 31 8.139 6.232 -5.355 1.00 0.00 C ATOM 450 CG LEU A 31 9.191 5.295 -5.948 1.00 0.00 C ATOM 451 CD1 LEU A 31 8.789 3.843 -5.742 1.00 0.00 C ATOM 452 CD2 LEU A 31 9.395 5.589 -7.427 1.00 0.00 C ATOM 0 H LEU A 31 9.519 6.490 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 31 9.260 8.039 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.668 5.729 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.362 6.394 -6.103 1.00 0.00 H new ATOM 0 HG LEU A 31 10.135 5.466 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.550 3.191 -6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.695 3.639 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.833 3.657 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.147 4.912 -7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.455 5.447 -7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.729 6.619 -7.550 1.00 0.00 H new ATOM 464 N LEU A 32 6.705 8.217 -3.568 1.00 0.00 N ATOM 465 CA LEU A 32 5.547 9.024 -3.200 1.00 0.00 C ATOM 466 C LEU A 32 5.979 10.388 -2.673 1.00 0.00 C ATOM 467 O LEU A 32 5.145 11.240 -2.368 1.00 0.00 O ATOM 468 CB LEU A 32 4.709 8.299 -2.146 1.00 0.00 C ATOM 469 CG LEU A 32 3.609 7.380 -2.678 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.131 6.433 -1.588 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.448 8.197 -3.224 1.00 0.00 C ATOM 0 H LEU A 32 6.870 7.415 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 32 4.942 9.176 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.379 7.707 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.249 9.046 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 32 4.022 6.785 -3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.348 5.787 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.966 5.822 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.736 7.010 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.675 7.526 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.035 8.819 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.801 8.833 -4.036 1.00 0.00 H new ATOM 483 N MET A 33 7.289 10.589 -2.570 1.00 0.00 N ATOM 484 CA MET A 33 7.832 11.852 -2.083 1.00 0.00 C ATOM 485 C MET A 33 8.358 12.699 -3.237 1.00 0.00 C ATOM 486 O MET A 33 8.524 13.912 -3.106 1.00 0.00 O ATOM 487 CB MET A 33 8.952 11.594 -1.073 1.00 0.00 C ATOM 488 CG MET A 33 8.472 10.946 0.216 1.00 0.00 C ATOM 489 SD MET A 33 7.270 11.962 1.096 1.00 0.00 S ATOM 490 CE MET A 33 8.178 13.497 1.260 1.00 0.00 C ATOM 0 H MET A 33 7.994 9.894 -2.817 1.00 0.00 H new ATOM 0 HA MET A 33 7.028 12.399 -1.591 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.705 10.954 -1.533 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.440 12.539 -0.835 1.00 0.00 H new ATOM 0 HG2 MET A 33 8.026 9.978 -0.012 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.328 10.758 0.865 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.711 14.116 2.027 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.208 13.282 1.545 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.168 14.029 0.309 1.00 0.00 H new ATOM 500 N THR A 34 8.618 12.053 -4.370 1.00 0.00 N ATOM 501 CA THR A 34 9.126 12.746 -5.546 1.00 0.00 C ATOM 502 C THR A 34 8.166 12.609 -6.722 1.00 0.00 C ATOM 503 O THR A 34 7.463 13.556 -7.076 1.00 0.00 O ATOM 504 CB THR A 34 10.509 12.209 -5.962 1.00 0.00 C ATOM 505 OG1 THR A 34 10.474 10.781 -6.049 1.00 0.00 O ATOM 506 CG2 THR A 34 11.576 12.636 -4.965 1.00 0.00 C ATOM 0 H THR A 34 8.485 11.050 -4.497 1.00 0.00 H new ATOM 0 HA THR A 34 9.219 13.798 -5.277 1.00 0.00 H new ATOM 0 HB THR A 34 10.758 12.625 -6.938 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.237 10.406 -5.175 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.544 12.246 -5.279 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.620 13.724 -4.923 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.329 12.244 -3.978 1.00 0.00 H new ATOM 514 N VAL A 35 8.140 11.425 -7.325 1.00 0.00 N ATOM 515 CA VAL A 35 7.265 11.163 -8.460 1.00 0.00 C ATOM 516 C VAL A 35 5.799 11.197 -8.043 1.00 0.00 C ATOM 517 O VAL A 35 4.908 11.341 -8.879 1.00 0.00 O ATOM 518 CB VAL A 35 7.573 9.798 -9.105 1.00 0.00 C ATOM 519 CG1 VAL A 35 9.036 9.719 -9.513 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.215 8.668 -8.152 1.00 0.00 C ATOM 0 H VAL A 35 8.716 10.631 -7.045 1.00 0.00 H new ATOM 0 HA VAL A 35 7.451 11.951 -9.190 1.00 0.00 H new ATOM 0 HB VAL A 35 6.964 9.693 -10.003 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.235 8.748 -9.967 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.256 10.508 -10.232 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.666 9.844 -8.633 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.439 7.711 -8.623 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.797 8.767 -7.236 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.152 8.716 -7.914 1.00 0.00 H new ATOM 530 N GLY A 36 5.556 11.062 -6.743 1.00 0.00 N ATOM 531 CA GLY A 36 4.196 11.080 -6.236 1.00 0.00 C ATOM 532 C GLY A 36 3.831 12.406 -5.601 1.00 0.00 C ATOM 533 O GLY A 36 4.707 13.157 -5.172 1.00 0.00 O ATOM 0 H GLY A 36 6.277 10.940 -6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.505 10.869 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.075 10.284 -5.502 1.00 0.00 H new ATOM 537 N GLN A 37 2.535 12.696 -5.542 1.00 0.00 N ATOM 538 CA GLN A 37 2.058 13.943 -4.956 1.00 0.00 C ATOM 539 C GLN A 37 1.169 13.671 -3.747 1.00 0.00 C ATOM 540 O GLN A 37 0.891 12.519 -3.414 1.00 0.00 O ATOM 541 CB GLN A 37 1.288 14.758 -5.997 1.00 0.00 C ATOM 542 CG GLN A 37 1.298 16.254 -5.727 1.00 0.00 C ATOM 543 CD GLN A 37 1.216 17.077 -6.998 1.00 0.00 C ATOM 544 OE1 GLN A 37 1.928 16.815 -7.968 1.00 0.00 O ATOM 545 NE2 GLN A 37 0.345 18.079 -6.999 1.00 0.00 N ATOM 0 H GLN A 37 1.797 12.085 -5.893 1.00 0.00 H new ATOM 0 HA GLN A 37 2.925 14.515 -4.625 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.717 14.572 -6.982 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.256 14.410 -6.028 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.459 16.508 -5.079 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.208 16.516 -5.187 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.225 18.260 -6.173 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.246 18.668 -7.826 1.00 0.00 H new ATOM 554 N VAL A 38 0.726 14.740 -3.092 1.00 0.00 N ATOM 555 CA VAL A 38 -0.132 14.617 -1.920 1.00 0.00 C ATOM 556 C VAL A 38 -1.480 14.006 -2.287 1.00 0.00 C ATOM 557 O VAL A 38 -2.294 13.704 -1.414 1.00 0.00 O ATOM 558 CB VAL A 38 -0.366 15.984 -1.250 1.00 0.00 C ATOM 559 CG1 VAL A 38 -1.003 15.805 0.120 1.00 0.00 C ATOM 560 CG2 VAL A 38 0.941 16.755 -1.142 1.00 0.00 C ATOM 0 H VAL A 38 0.947 15.701 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 38 0.383 13.960 -1.219 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.052 16.561 -1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.161 16.781 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.961 15.296 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.345 15.210 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.757 17.718 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.651 16.185 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.352 16.915 -2.139 1.00 0.00 H new ATOM 570 N CYS A 39 -1.708 13.826 -3.583 1.00 0.00 N ATOM 571 CA CYS A 39 -2.958 13.251 -4.067 1.00 0.00 C ATOM 572 C CYS A 39 -2.694 12.013 -4.917 1.00 0.00 C ATOM 573 O CYS A 39 -3.399 11.755 -5.892 1.00 0.00 O ATOM 574 CB CYS A 39 -3.739 14.285 -4.879 1.00 0.00 C ATOM 575 SG CYS A 39 -3.479 15.993 -4.344 1.00 0.00 S ATOM 0 H CYS A 39 -1.044 14.070 -4.318 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.552 12.956 -3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.456 14.197 -5.928 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.802 14.053 -4.815 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.179 16.793 -5.092 1.00 0.00 H new ATOM 581 N SER A 40 -1.672 11.251 -4.541 1.00 0.00 N ATOM 582 CA SER A 40 -1.310 10.042 -5.273 1.00 0.00 C ATOM 583 C SER A 40 -1.041 8.887 -4.314 1.00 0.00 C ATOM 584 O SER A 40 -0.458 9.074 -3.245 1.00 0.00 O ATOM 585 CB SER A 40 -0.077 10.296 -6.142 1.00 0.00 C ATOM 586 OG SER A 40 -0.061 11.627 -6.627 1.00 0.00 O ATOM 0 H SER A 40 -1.080 11.449 -3.734 1.00 0.00 H new ATOM 0 HA SER A 40 -2.148 9.771 -5.915 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.826 10.106 -5.562 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.070 9.600 -6.981 1.00 0.00 H new ATOM 0 HG SER A 40 0.529 11.684 -7.408 1.00 0.00 H new ATOM 592 N PHE A 41 -1.470 7.691 -4.703 1.00 0.00 N ATOM 593 CA PHE A 41 -1.277 6.503 -3.878 1.00 0.00 C ATOM 594 C PHE A 41 -0.685 5.362 -4.699 1.00 0.00 C ATOM 595 O PHE A 41 -0.393 5.520 -5.885 1.00 0.00 O ATOM 596 CB PHE A 41 -2.606 6.065 -3.259 1.00 0.00 C ATOM 597 CG PHE A 41 -3.531 5.397 -4.235 1.00 0.00 C ATOM 598 CD1 PHE A 41 -4.420 6.144 -4.990 1.00 0.00 C ATOM 599 CD2 PHE A 41 -3.511 4.021 -4.397 1.00 0.00 C ATOM 600 CE1 PHE A 41 -5.273 5.531 -5.889 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.361 3.402 -5.294 1.00 0.00 C ATOM 602 CZ PHE A 41 -5.243 4.158 -6.042 1.00 0.00 C ATOM 0 H PHE A 41 -1.954 7.518 -5.584 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.578 6.754 -3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.405 5.381 -2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.105 6.937 -2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.447 7.218 -4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.823 3.425 -3.815 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.962 6.125 -6.471 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.336 2.329 -5.410 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.907 3.677 -6.745 1.00 0.00 H new ATOM 612 N LEU A 42 -0.509 4.211 -4.059 1.00 0.00 N ATOM 613 CA LEU A 42 0.049 3.041 -4.728 1.00 0.00 C ATOM 614 C LEU A 42 -0.183 1.779 -3.903 1.00 0.00 C ATOM 615 O LEU A 42 -0.489 1.851 -2.713 1.00 0.00 O ATOM 616 CB LEU A 42 1.546 3.235 -4.974 1.00 0.00 C ATOM 617 CG LEU A 42 2.431 3.277 -3.728 1.00 0.00 C ATOM 618 CD1 LEU A 42 2.766 1.868 -3.264 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.703 4.066 -4.003 1.00 0.00 C ATOM 0 H LEU A 42 -0.745 4.063 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.458 2.925 -5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.896 2.427 -5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.686 4.165 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 42 1.881 3.779 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.397 1.918 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.846 1.335 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.296 1.340 -4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.321 4.085 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.257 3.593 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.444 5.086 -4.287 1.00 0.00 H new ATOM 631 N VAL A 43 -0.033 0.624 -4.543 1.00 0.00 N ATOM 632 CA VAL A 43 -0.222 -0.654 -3.867 1.00 0.00 C ATOM 633 C VAL A 43 0.982 -1.567 -4.070 1.00 0.00 C ATOM 634 O VAL A 43 1.425 -1.786 -5.198 1.00 0.00 O ATOM 635 CB VAL A 43 -1.488 -1.373 -4.371 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.642 -2.724 -3.689 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.718 -0.508 -4.144 1.00 0.00 C ATOM 0 H VAL A 43 0.219 0.547 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.334 -0.437 -2.805 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.386 -1.544 -5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.542 -3.217 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.773 -3.344 -3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.722 -2.581 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.603 -1.032 -4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.828 -0.304 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.606 0.432 -4.684 1.00 0.00 H new ATOM 647 N ARG A 44 1.508 -2.097 -2.970 1.00 0.00 N ATOM 648 CA ARG A 44 2.662 -2.986 -3.027 1.00 0.00 C ATOM 649 C ARG A 44 2.415 -4.251 -2.210 1.00 0.00 C ATOM 650 O ARG A 44 1.777 -4.225 -1.157 1.00 0.00 O ATOM 651 CB ARG A 44 3.911 -2.269 -2.510 1.00 0.00 C ATOM 652 CG ARG A 44 3.993 -2.206 -0.994 1.00 0.00 C ATOM 653 CD ARG A 44 5.358 -1.722 -0.530 1.00 0.00 C ATOM 654 NE ARG A 44 5.604 -2.039 0.874 1.00 0.00 N ATOM 655 CZ ARG A 44 5.978 -3.240 1.301 1.00 0.00 C ATOM 656 NH1 ARG A 44 6.149 -4.231 0.437 1.00 0.00 N ATOM 657 NH2 ARG A 44 6.182 -3.451 2.595 1.00 0.00 N ATOM 0 H ARG A 44 1.153 -1.926 -2.029 1.00 0.00 H new ATOM 0 HA ARG A 44 2.818 -3.270 -4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.796 -2.777 -2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.929 -1.255 -2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.220 -1.538 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.794 -3.193 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.133 -2.179 -1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.429 -0.644 -0.676 1.00 0.00 H new ATOM 0 HE ARG A 44 5.482 -1.298 1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.993 -4.072 -0.558 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.436 -5.152 0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.052 -2.691 3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.469 -4.373 2.922 1.00 0.00 H new ATOM 671 N PRO A 45 2.930 -5.386 -2.706 1.00 0.00 N ATOM 672 CA PRO A 45 2.778 -6.682 -2.038 1.00 0.00 C ATOM 673 C PRO A 45 3.582 -6.766 -0.746 1.00 0.00 C ATOM 674 O PRO A 45 4.796 -6.563 -0.744 1.00 0.00 O ATOM 675 CB PRO A 45 3.317 -7.677 -3.069 1.00 0.00 C ATOM 676 CG PRO A 45 4.264 -6.884 -3.902 1.00 0.00 C ATOM 677 CD PRO A 45 3.701 -5.491 -3.956 1.00 0.00 C ATOM 0 HA PRO A 45 1.746 -6.870 -1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.821 -8.514 -2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.512 -8.095 -3.674 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.263 -6.885 -3.465 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.353 -7.308 -4.902 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.490 -4.740 -4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.068 -5.347 -4.832 1.00 0.00 H new ATOM 685 N SER A 46 2.898 -7.067 0.353 1.00 0.00 N ATOM 686 CA SER A 46 3.548 -7.175 1.654 1.00 0.00 C ATOM 687 C SER A 46 4.652 -8.229 1.624 1.00 0.00 C ATOM 688 O SER A 46 4.819 -8.939 0.633 1.00 0.00 O ATOM 689 CB SER A 46 2.523 -7.525 2.734 1.00 0.00 C ATOM 690 OG SER A 46 3.073 -7.366 4.030 1.00 0.00 O ATOM 0 H SER A 46 1.893 -7.241 0.368 1.00 0.00 H new ATOM 0 HA SER A 46 3.996 -6.210 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.646 -6.887 2.627 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.187 -8.554 2.602 1.00 0.00 H new ATOM 0 HG SER A 46 2.397 -7.594 4.702 1.00 0.00 H new ATOM 757 N ASP A 52 -0.478 -10.482 0.903 1.00 0.00 N ATOM 758 CA ASP A 52 -1.121 -9.300 1.465 1.00 0.00 C ATOM 759 C ASP A 52 -0.797 -8.060 0.637 1.00 0.00 C ATOM 760 O ASP A 52 0.047 -8.103 -0.259 1.00 0.00 O ATOM 761 CB ASP A 52 -0.676 -9.091 2.913 1.00 0.00 C ATOM 762 CG ASP A 52 -1.712 -8.351 3.736 1.00 0.00 C ATOM 763 OD1 ASP A 52 -2.605 -9.016 4.302 1.00 0.00 O ATOM 764 OD2 ASP A 52 -1.632 -7.107 3.813 1.00 0.00 O ATOM 0 HA ASP A 52 -2.199 -9.458 1.443 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.476 -10.059 3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.260 -8.533 2.925 1.00 0.00 H new ATOM 769 N TYR A 53 -1.474 -6.959 0.941 1.00 0.00 N ATOM 770 CA TYR A 53 -1.261 -5.708 0.222 1.00 0.00 C ATOM 771 C TYR A 53 -1.275 -4.520 1.180 1.00 0.00 C ATOM 772 O TYR A 53 -1.915 -4.563 2.230 1.00 0.00 O ATOM 773 CB TYR A 53 -2.335 -5.523 -0.852 1.00 0.00 C ATOM 774 CG TYR A 53 -2.210 -6.493 -2.005 1.00 0.00 C ATOM 775 CD1 TYR A 53 -1.171 -6.383 -2.922 1.00 0.00 C ATOM 776 CD2 TYR A 53 -3.132 -7.518 -2.180 1.00 0.00 C ATOM 777 CE1 TYR A 53 -1.054 -7.266 -3.978 1.00 0.00 C ATOM 778 CE2 TYR A 53 -3.021 -8.407 -3.232 1.00 0.00 C ATOM 779 CZ TYR A 53 -1.981 -8.276 -4.128 1.00 0.00 C ATOM 780 OH TYR A 53 -1.868 -9.159 -5.178 1.00 0.00 O ATOM 0 H TYR A 53 -2.175 -6.907 1.680 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.283 -5.755 -0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.318 -5.639 -0.395 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.281 -4.505 -1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.443 -5.594 -2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.949 -7.622 -1.482 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.241 -7.166 -4.682 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.745 -9.200 -3.352 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.600 -9.810 -5.139 1.00 0.00 H new ATOM 790 N SER A 54 -0.564 -3.461 0.808 1.00 0.00 N ATOM 791 CA SER A 54 -0.490 -2.261 1.634 1.00 0.00 C ATOM 792 C SER A 54 -0.589 -1.004 0.776 1.00 0.00 C ATOM 793 O SER A 54 0.053 -0.899 -0.270 1.00 0.00 O ATOM 794 CB SER A 54 0.815 -2.246 2.433 1.00 0.00 C ATOM 795 OG SER A 54 0.786 -3.204 3.476 1.00 0.00 O ATOM 0 H SER A 54 -0.031 -3.409 -0.060 1.00 0.00 H new ATOM 0 HA SER A 54 -1.332 -2.274 2.327 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.654 -2.453 1.769 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.977 -1.253 2.852 1.00 0.00 H new ATOM 0 HG SER A 54 1.632 -3.175 3.970 1.00 0.00 H new ATOM 801 N LEU A 55 -1.399 -0.051 1.225 1.00 0.00 N ATOM 802 CA LEU A 55 -1.583 1.201 0.500 1.00 0.00 C ATOM 803 C LEU A 55 -0.674 2.292 1.056 1.00 0.00 C ATOM 804 O LEU A 55 -0.437 2.361 2.263 1.00 0.00 O ATOM 805 CB LEU A 55 -3.044 1.649 0.580 1.00 0.00 C ATOM 806 CG LEU A 55 -3.511 2.612 -0.512 1.00 0.00 C ATOM 807 CD1 LEU A 55 -3.960 1.843 -1.746 1.00 0.00 C ATOM 808 CD2 LEU A 55 -4.635 3.498 0.004 1.00 0.00 C ATOM 0 H LEU A 55 -1.939 -0.122 2.088 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.318 1.030 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.677 0.762 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.205 2.123 1.548 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.672 3.249 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.289 2.545 -2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.128 1.251 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.785 1.181 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.955 4.177 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.476 2.877 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.280 4.076 0.857 1.00 0.00 H new ATOM 820 N TYR A 56 -0.170 3.144 0.170 1.00 0.00 N ATOM 821 CA TYR A 56 0.713 4.232 0.573 1.00 0.00 C ATOM 822 C TYR A 56 0.266 5.553 -0.045 1.00 0.00 C ATOM 823 O TYR A 56 0.394 5.763 -1.251 1.00 0.00 O ATOM 824 CB TYR A 56 2.154 3.925 0.162 1.00 0.00 C ATOM 825 CG TYR A 56 2.850 2.945 1.079 1.00 0.00 C ATOM 826 CD1 TYR A 56 2.640 1.578 0.954 1.00 0.00 C ATOM 827 CD2 TYR A 56 3.717 3.387 2.071 1.00 0.00 C ATOM 828 CE1 TYR A 56 3.273 0.678 1.790 1.00 0.00 C ATOM 829 CE2 TYR A 56 4.355 2.495 2.911 1.00 0.00 C ATOM 830 CZ TYR A 56 4.130 1.142 2.767 1.00 0.00 C ATOM 831 OH TYR A 56 4.763 0.250 3.602 1.00 0.00 O ATOM 0 H TYR A 56 -0.358 3.102 -0.832 1.00 0.00 H new ATOM 0 HA TYR A 56 0.663 4.324 1.658 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.156 3.525 -0.852 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.722 4.855 0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.970 1.212 0.190 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.895 4.446 2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.098 -0.382 1.679 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.026 2.855 3.676 1.00 0.00 H new ATOM 0 HH TYR A 56 5.332 0.739 4.232 1.00 0.00 H new ATOM 841 N PHE A 57 -0.260 6.442 0.792 1.00 0.00 N ATOM 842 CA PHE A 57 -0.727 7.744 0.329 1.00 0.00 C ATOM 843 C PHE A 57 0.092 8.869 0.955 1.00 0.00 C ATOM 844 O PHE A 57 0.579 8.746 2.079 1.00 0.00 O ATOM 845 CB PHE A 57 -2.208 7.927 0.667 1.00 0.00 C ATOM 846 CG PHE A 57 -2.813 9.161 0.060 1.00 0.00 C ATOM 847 CD1 PHE A 57 -2.710 9.401 -1.301 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.483 10.080 0.850 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.266 10.535 -1.863 1.00 0.00 C ATOM 850 CE2 PHE A 57 -4.041 11.216 0.294 1.00 0.00 C ATOM 851 CZ PHE A 57 -3.931 11.444 -1.064 1.00 0.00 C ATOM 0 H PHE A 57 -0.373 6.285 1.793 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.600 7.785 -0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.762 7.053 0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.323 7.971 1.750 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.189 8.694 -1.930 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.571 9.907 1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.180 10.710 -2.925 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.562 11.924 0.921 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.364 12.332 -1.500 1.00 0.00 H new ATOM 861 N ARG A 58 0.239 9.966 0.219 1.00 0.00 N ATOM 862 CA ARG A 58 1.001 11.112 0.700 1.00 0.00 C ATOM 863 C ARG A 58 0.069 12.214 1.195 1.00 0.00 C ATOM 864 O ARG A 58 -0.879 12.597 0.507 1.00 0.00 O ATOM 865 CB ARG A 58 1.904 11.654 -0.410 1.00 0.00 C ATOM 866 CG ARG A 58 2.494 13.020 -0.102 1.00 0.00 C ATOM 867 CD ARG A 58 3.612 12.925 0.925 1.00 0.00 C ATOM 868 NE ARG A 58 4.183 14.233 1.235 1.00 0.00 N ATOM 869 CZ ARG A 58 4.944 14.922 0.391 1.00 0.00 C ATOM 870 NH1 ARG A 58 5.223 14.429 -0.808 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.426 16.106 0.746 1.00 0.00 N ATOM 0 H ARG A 58 -0.159 10.085 -0.712 1.00 0.00 H new ATOM 0 HA ARG A 58 1.621 10.781 1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.716 10.948 -0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.331 11.715 -1.335 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.878 13.467 -1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.711 13.680 0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.227 12.472 1.839 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.395 12.268 0.548 1.00 0.00 H new ATOM 0 HE ARG A 58 3.987 14.640 2.149 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.853 13.519 -1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.807 14.960 -1.454 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.213 16.488 1.667 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.010 16.634 0.098 1.00 0.00 H new ATOM 885 N THR A 59 0.343 12.721 2.392 1.00 0.00 N ATOM 886 CA THR A 59 -0.470 13.778 2.980 1.00 0.00 C ATOM 887 C THR A 59 0.399 14.916 3.502 1.00 0.00 C ATOM 888 O THR A 59 1.599 14.746 3.715 1.00 0.00 O ATOM 889 CB THR A 59 -1.340 13.241 4.133 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.507 12.794 5.208 1.00 0.00 O ATOM 891 CG2 THR A 59 -2.222 12.096 3.658 1.00 0.00 C ATOM 0 H THR A 59 1.123 12.416 2.974 1.00 0.00 H new ATOM 0 HA THR A 59 -1.119 14.154 2.189 1.00 0.00 H new ATOM 0 HB THR A 59 -1.980 14.051 4.483 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.083 12.080 4.889 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.827 11.734 4.489 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.876 12.447 2.860 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.596 11.286 3.284 1.00 0.00 H new ATOM 899 N ASN A 60 -0.214 16.077 3.708 1.00 0.00 N ATOM 900 CA ASN A 60 0.505 17.244 4.205 1.00 0.00 C ATOM 901 C ASN A 60 1.352 16.883 5.422 1.00 0.00 C ATOM 902 O ASN A 60 2.482 17.348 5.563 1.00 0.00 O ATOM 903 CB ASN A 60 -0.478 18.359 4.567 1.00 0.00 C ATOM 904 CG ASN A 60 -1.027 18.212 5.973 1.00 0.00 C ATOM 905 OD1 ASN A 60 -0.724 19.015 6.857 1.00 0.00 O ATOM 906 ND2 ASN A 60 -1.839 17.183 6.187 1.00 0.00 N ATOM 0 H ASN A 60 -1.207 16.235 3.538 1.00 0.00 H new ATOM 0 HA ASN A 60 1.167 17.596 3.414 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.021 19.324 4.474 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.304 18.357 3.855 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.239 17.033 7.113 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.063 16.543 5.425 1.00 0.00 H new ATOM 913 N GLU A 61 0.796 16.051 6.297 1.00 0.00 N ATOM 914 CA GLU A 61 1.501 15.628 7.502 1.00 0.00 C ATOM 915 C GLU A 61 2.629 14.659 7.160 1.00 0.00 C ATOM 916 O GLU A 61 3.804 15.022 7.194 1.00 0.00 O ATOM 917 CB GLU A 61 0.529 14.969 8.483 1.00 0.00 C ATOM 918 CG GLU A 61 -0.118 15.949 9.448 1.00 0.00 C ATOM 919 CD GLU A 61 0.900 16.745 10.241 1.00 0.00 C ATOM 920 OE1 GLU A 61 1.982 16.197 10.539 1.00 0.00 O ATOM 921 OE2 GLU A 61 0.615 17.918 10.564 1.00 0.00 O ATOM 0 H GLU A 61 -0.139 15.657 6.195 1.00 0.00 H new ATOM 0 HA GLU A 61 1.934 16.513 7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.252 14.457 7.920 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.062 14.208 9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.755 16.635 8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.763 15.403 10.136 1.00 0.00 H new ATOM 928 N ASN A 62 2.263 13.425 6.831 1.00 0.00 N ATOM 929 CA ASN A 62 3.244 12.403 6.484 1.00 0.00 C ATOM 930 C ASN A 62 2.585 11.249 5.733 1.00 0.00 C ATOM 931 O ASN A 62 1.368 11.074 5.789 1.00 0.00 O ATOM 932 CB ASN A 62 3.932 11.878 7.746 1.00 0.00 C ATOM 933 CG ASN A 62 5.167 12.680 8.107 1.00 0.00 C ATOM 934 OD1 ASN A 62 5.310 13.145 9.238 1.00 0.00 O ATOM 935 ND2 ASN A 62 6.066 12.847 7.145 1.00 0.00 N ATOM 0 H ASN A 62 1.294 13.108 6.797 1.00 0.00 H new ATOM 0 HA ASN A 62 3.991 12.857 5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.228 11.905 8.578 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.210 10.835 7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.917 13.379 7.329 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.906 12.444 6.222 1.00 0.00 H new ATOM 942 N ILE A 63 3.398 10.466 5.032 1.00 0.00 N ATOM 943 CA ILE A 63 2.895 9.329 4.272 1.00 0.00 C ATOM 944 C ILE A 63 2.221 8.311 5.186 1.00 0.00 C ATOM 945 O ILE A 63 2.805 7.871 6.176 1.00 0.00 O ATOM 946 CB ILE A 63 4.023 8.632 3.489 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.622 9.587 2.456 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.499 7.373 2.814 1.00 0.00 C ATOM 949 CD1 ILE A 63 5.806 9.009 1.712 1.00 0.00 C ATOM 0 H ILE A 63 4.408 10.598 4.975 1.00 0.00 H new ATOM 0 HA ILE A 63 2.162 9.721 3.566 1.00 0.00 H new ATOM 0 HB ILE A 63 4.808 8.346 4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.850 9.862 1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.931 10.504 2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.308 6.891 2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.115 6.688 3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.698 7.637 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.179 9.742 0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.595 8.760 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.498 8.108 1.182 1.00 0.00 H new ATOM 961 N GLN A 64 0.991 7.941 4.846 1.00 0.00 N ATOM 962 CA GLN A 64 0.239 6.973 5.636 1.00 0.00 C ATOM 963 C GLN A 64 0.477 5.555 5.130 1.00 0.00 C ATOM 964 O GLN A 64 1.120 5.352 4.100 1.00 0.00 O ATOM 965 CB GLN A 64 -1.255 7.299 5.592 1.00 0.00 C ATOM 966 CG GLN A 64 -1.664 8.410 6.546 1.00 0.00 C ATOM 967 CD GLN A 64 -3.122 8.324 6.952 1.00 0.00 C ATOM 968 OE1 GLN A 64 -3.576 7.301 7.465 1.00 0.00 O ATOM 969 NE2 GLN A 64 -3.865 9.400 6.723 1.00 0.00 N ATOM 0 H GLN A 64 0.494 8.296 4.029 1.00 0.00 H new ATOM 0 HA GLN A 64 0.587 7.034 6.667 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.526 7.586 4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.822 6.399 5.831 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.039 8.366 7.438 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.479 9.375 6.074 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.447 10.227 6.296 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.854 9.400 6.975 1.00 0.00 H new ATOM 978 N ARG A 65 -0.045 4.575 5.862 1.00 0.00 N ATOM 979 CA ARG A 65 0.113 3.175 5.488 1.00 0.00 C ATOM 980 C ARG A 65 -1.094 2.355 5.932 1.00 0.00 C ATOM 981 O ARG A 65 -1.372 2.235 7.126 1.00 0.00 O ATOM 982 CB ARG A 65 1.389 2.600 6.106 1.00 0.00 C ATOM 983 CG ARG A 65 1.754 1.222 5.578 1.00 0.00 C ATOM 984 CD ARG A 65 2.628 0.463 6.564 1.00 0.00 C ATOM 985 NE ARG A 65 2.018 0.383 7.888 1.00 0.00 N ATOM 986 CZ ARG A 65 2.711 0.194 9.006 1.00 0.00 C ATOM 987 NH1 ARG A 65 4.030 0.068 8.959 1.00 0.00 N ATOM 988 NH2 ARG A 65 2.084 0.133 10.174 1.00 0.00 N ATOM 0 H ARG A 65 -0.581 4.725 6.717 1.00 0.00 H new ATOM 0 HA ARG A 65 0.188 3.121 4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.216 3.284 5.914 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.266 2.544 7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.845 0.653 5.383 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.278 1.322 4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.809 -0.544 6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.598 0.954 6.641 1.00 0.00 H new ATOM 0 HE ARG A 65 1.005 0.477 7.959 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.515 0.116 8.063 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.559 -0.077 9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.070 0.231 10.214 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.617 -0.012 11.032 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.809 1.792 4.964 1.00 0.00 N ATOM 1003 CA PHE A 66 -2.988 0.984 5.254 1.00 0.00 C ATOM 1004 C PHE A 66 -2.662 -0.505 5.168 1.00 0.00 C ATOM 1005 O PHE A 66 -1.603 -0.893 4.674 1.00 0.00 O ATOM 1006 CB PHE A 66 -4.120 1.326 4.284 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.525 2.772 4.322 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -3.768 3.735 3.672 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -5.662 3.169 5.006 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -4.138 5.066 3.707 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -6.038 4.499 5.044 1.00 0.00 C ATOM 1012 CZ PHE A 66 -5.275 5.448 4.392 1.00 0.00 C ATOM 0 H PHE A 66 -1.593 1.880 3.971 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.310 1.210 6.271 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.809 1.070 3.271 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.987 0.708 4.517 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.880 3.442 3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.262 2.430 5.516 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.539 5.807 3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.926 4.795 5.582 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.567 6.487 4.418 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.580 -1.334 5.653 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.393 -2.780 5.631 1.00 0.00 C ATOM 1024 C LYS A 67 -4.549 -3.467 4.912 1.00 0.00 C ATOM 1025 O LYS A 67 -5.705 -3.349 5.322 1.00 0.00 O ATOM 1026 CB LYS A 67 -3.271 -3.321 7.057 1.00 0.00 C ATOM 1027 CG LYS A 67 -1.851 -3.299 7.597 1.00 0.00 C ATOM 1028 CD LYS A 67 -1.821 -3.543 9.097 1.00 0.00 C ATOM 1029 CE LYS A 67 -2.110 -4.999 9.431 1.00 0.00 C ATOM 1030 NZ LYS A 67 -2.339 -5.198 10.889 1.00 0.00 N ATOM 0 H LYS A 67 -4.461 -1.029 6.066 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.472 -2.994 5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.910 -2.733 7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.644 -4.345 7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.257 -4.060 7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.391 -2.336 7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.844 -3.265 9.492 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.556 -2.904 9.585 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.988 -5.332 8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.274 -5.619 9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.533 -6.203 11.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.492 -4.904 11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.152 -4.626 11.194 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.231 -4.186 3.841 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.244 -4.894 3.068 1.00 0.00 C ATOM 1046 C ILE A 68 -5.131 -6.402 3.264 1.00 0.00 C ATOM 1047 O ILE A 68 -4.377 -7.075 2.560 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.132 -4.573 1.566 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.321 -3.074 1.327 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.155 -5.375 0.775 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -4.892 -2.623 -0.052 1.00 0.00 C ATOM 0 H ILE A 68 -3.280 -4.294 3.489 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.213 -4.554 3.433 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.136 -4.853 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.371 -2.821 1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.753 -2.521 2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.063 -5.137 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.977 -6.440 0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.159 -5.123 1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.054 -1.550 -0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.834 -2.845 -0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.478 -3.149 -0.806 1.00 0.00 H new ATOM 1063 N CYS A 69 -5.885 -6.926 4.224 1.00 0.00 N ATOM 1064 CA CYS A 69 -5.871 -8.356 4.512 1.00 0.00 C ATOM 1065 C CYS A 69 -6.895 -9.094 3.657 1.00 0.00 C ATOM 1066 O CYS A 69 -8.044 -8.673 3.519 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.155 -8.601 5.995 1.00 0.00 C ATOM 1068 SG CYS A 69 -5.492 -10.160 6.626 1.00 0.00 S ATOM 0 H CYS A 69 -6.513 -6.383 4.816 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.880 -8.740 4.271 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.735 -7.779 6.575 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.233 -8.586 6.155 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.781 -10.275 7.888 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.471 -10.221 3.066 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.336 -11.041 2.212 1.00 0.00 C ATOM 1076 C PRO A 70 -8.428 -11.751 3.005 1.00 0.00 C ATOM 1077 O PRO A 70 -8.179 -12.282 4.088 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.370 -12.059 1.603 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.250 -12.152 2.581 1.00 0.00 C ATOM 1080 CD PRO A 70 -5.115 -10.782 3.187 1.00 0.00 C ATOM 0 HA PRO A 70 -7.866 -10.441 1.473 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.852 -13.026 1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.016 -11.732 0.625 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.461 -12.898 3.347 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.326 -12.454 2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.792 -10.833 4.227 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.381 -10.177 2.654 1.00 0.00 H new ATOM 1088 N THR A 71 -9.640 -11.757 2.459 1.00 0.00 N ATOM 1089 CA THR A 71 -10.771 -12.401 3.116 1.00 0.00 C ATOM 1090 C THR A 71 -11.173 -13.679 2.389 1.00 0.00 C ATOM 1091 O THR A 71 -10.997 -13.815 1.178 1.00 0.00 O ATOM 1092 CB THR A 71 -11.988 -11.460 3.189 1.00 0.00 C ATOM 1093 OG1 THR A 71 -12.461 -11.167 1.870 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.630 -10.166 3.905 1.00 0.00 C ATOM 0 H THR A 71 -9.864 -11.323 1.563 1.00 0.00 H new ATOM 0 HA THR A 71 -10.451 -12.647 4.128 1.00 0.00 H new ATOM 0 HB THR A 71 -12.774 -11.962 3.753 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.198 -11.773 1.645 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.505 -9.518 3.944 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.299 -10.391 4.919 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.829 -9.661 3.365 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.729 -14.639 3.143 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.170 -15.923 2.590 1.00 0.00 C ATOM 1104 C PRO A 72 -13.396 -15.779 1.696 1.00 0.00 C ATOM 1105 O PRO A 72 -13.712 -16.672 0.911 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.509 -16.748 3.835 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.840 -15.738 4.879 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.970 -14.545 4.592 1.00 0.00 C ATOM 0 HA PRO A 72 -11.408 -16.377 1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.350 -17.417 3.650 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.667 -17.371 4.139 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.896 -15.469 4.841 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.647 -16.131 5.877 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.467 -13.612 4.857 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.039 -14.581 5.157 1.00 0.00 H new ATOM 1116 N ASN A 73 -14.085 -14.649 1.821 1.00 0.00 N ATOM 1117 CA ASN A 73 -15.278 -14.389 1.024 1.00 0.00 C ATOM 1118 C ASN A 73 -14.914 -13.709 -0.293 1.00 0.00 C ATOM 1119 O ASN A 73 -15.637 -12.837 -0.773 1.00 0.00 O ATOM 1120 CB ASN A 73 -16.259 -13.515 1.807 1.00 0.00 C ATOM 1121 CG ASN A 73 -16.755 -14.193 3.070 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -16.363 -15.319 3.379 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -17.622 -13.508 3.808 1.00 0.00 N ATOM 0 H ASN A 73 -13.837 -13.899 2.467 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.751 -15.345 0.801 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.774 -12.574 2.069 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -17.110 -13.269 1.172 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.990 -13.912 4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -17.919 -12.578 3.514 1.00 0.00 H new ATOM 1130 N ASN A 74 -13.789 -14.116 -0.872 1.00 0.00 N ATOM 1131 CA ASN A 74 -13.329 -13.547 -2.133 1.00 0.00 C ATOM 1132 C ASN A 74 -13.443 -12.025 -2.117 1.00 0.00 C ATOM 1133 O ASN A 74 -14.051 -11.430 -3.006 1.00 0.00 O ATOM 1134 CB ASN A 74 -14.138 -14.118 -3.300 1.00 0.00 C ATOM 1135 CG ASN A 74 -13.562 -13.730 -4.648 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -14.216 -13.058 -5.445 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -12.330 -14.153 -4.908 1.00 0.00 N ATOM 0 H ASN A 74 -13.179 -14.838 -0.488 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.280 -13.814 -2.262 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.168 -15.205 -3.220 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.167 -13.765 -3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.889 -13.923 -5.798 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.825 -14.708 -4.217 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.854 -11.404 -1.101 1.00 0.00 N ATOM 1145 CA GLN A 75 -12.890 -9.952 -0.969 1.00 0.00 C ATOM 1146 C GLN A 75 -11.613 -9.433 -0.317 1.00 0.00 C ATOM 1147 O GLN A 75 -10.681 -10.195 -0.060 1.00 0.00 O ATOM 1148 CB GLN A 75 -14.107 -9.523 -0.148 1.00 0.00 C ATOM 1149 CG GLN A 75 -15.400 -9.493 -0.947 1.00 0.00 C ATOM 1150 CD GLN A 75 -16.549 -8.877 -0.174 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -16.640 -7.656 -0.040 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -17.437 -9.721 0.341 1.00 0.00 N ATOM 0 H GLN A 75 -12.346 -11.883 -0.357 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.966 -9.523 -1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.226 -10.205 0.694 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.923 -8.532 0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.242 -8.929 -1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -15.666 -10.509 -1.238 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.324 -10.726 0.206 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -18.232 -9.364 0.871 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.577 -8.131 -0.052 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.413 -7.509 0.569 1.00 0.00 C ATOM 1163 C PHE A 76 -10.836 -6.561 1.688 1.00 0.00 C ATOM 1164 O PHE A 76 -11.763 -5.769 1.527 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.595 -6.749 -0.477 1.00 0.00 C ATOM 1166 CG PHE A 76 -8.757 -7.642 -1.346 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -7.504 -8.061 -0.928 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -9.221 -8.062 -2.583 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -6.730 -8.883 -1.725 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -8.452 -8.884 -3.384 1.00 0.00 C ATOM 1171 CZ PHE A 76 -7.204 -9.294 -2.955 1.00 0.00 C ATOM 0 H PHE A 76 -12.340 -7.486 -0.258 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.796 -8.298 0.999 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.272 -6.173 -1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.946 -6.035 0.030 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.128 -7.741 0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -10.195 -7.743 -2.924 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.756 -9.203 -1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.826 -9.206 -4.345 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.600 -9.935 -3.581 1.00 0.00 H new ATOM 1181 N MET A 77 -10.148 -6.650 2.822 1.00 0.00 N ATOM 1182 CA MET A 77 -10.451 -5.800 3.967 1.00 0.00 C ATOM 1183 C MET A 77 -9.487 -4.620 4.039 1.00 0.00 C ATOM 1184 O MET A 77 -8.284 -4.800 4.224 1.00 0.00 O ATOM 1185 CB MET A 77 -10.381 -6.610 5.263 1.00 0.00 C ATOM 1186 CG MET A 77 -11.703 -7.253 5.650 1.00 0.00 C ATOM 1187 SD MET A 77 -11.553 -8.345 7.077 1.00 0.00 S ATOM 1188 CE MET A 77 -10.636 -7.301 8.207 1.00 0.00 C ATOM 0 H MET A 77 -9.378 -7.302 2.972 1.00 0.00 H new ATOM 0 HA MET A 77 -11.462 -5.413 3.843 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.626 -7.388 5.155 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.053 -5.958 6.072 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.432 -6.473 5.870 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.089 -7.820 4.803 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.721 -7.697 9.219 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.587 -7.280 7.913 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.041 -6.290 8.178 1.00 0.00 H new ATOM 1198 N MET A 78 -10.023 -3.413 3.890 1.00 0.00 N ATOM 1199 CA MET A 78 -9.210 -2.204 3.939 1.00 0.00 C ATOM 1200 C MET A 78 -9.749 -1.227 4.978 1.00 0.00 C ATOM 1201 O MET A 78 -10.550 -0.349 4.662 1.00 0.00 O ATOM 1202 CB MET A 78 -9.171 -1.534 2.564 1.00 0.00 C ATOM 1203 CG MET A 78 -8.081 -0.482 2.431 1.00 0.00 C ATOM 1204 SD MET A 78 -8.510 1.068 3.246 1.00 0.00 S ATOM 1205 CE MET A 78 -7.446 2.215 2.373 1.00 0.00 C ATOM 0 H MET A 78 -11.017 -3.246 3.734 1.00 0.00 H new ATOM 0 HA MET A 78 -8.198 -2.489 4.226 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.022 -2.298 1.801 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.138 -1.071 2.367 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.155 -0.868 2.857 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.891 -0.292 1.375 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.583 3.218 2.777 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.406 1.913 2.497 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.701 2.213 1.313 1.00 0.00 H new ATOM 1215 N GLY A 79 -9.305 -1.387 6.222 1.00 0.00 N ATOM 1216 CA GLY A 79 -9.755 -0.513 7.289 1.00 0.00 C ATOM 1217 C GLY A 79 -11.157 -0.845 7.759 1.00 0.00 C ATOM 1218 O GLY A 79 -12.056 -0.009 7.693 1.00 0.00 O ATOM 0 H GLY A 79 -8.642 -2.107 6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.066 -0.588 8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.726 0.521 6.944 1.00 0.00 H new ATOM 1222 N GLY A 80 -11.344 -2.073 8.235 1.00 0.00 N ATOM 1223 CA GLY A 80 -12.649 -2.493 8.710 1.00 0.00 C ATOM 1224 C GLY A 80 -13.720 -2.375 7.643 1.00 0.00 C ATOM 1225 O GLY A 80 -14.898 -2.198 7.953 1.00 0.00 O ATOM 0 H GLY A 80 -10.615 -2.784 8.300 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.593 -3.527 9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.931 -1.888 9.572 1.00 0.00 H new ATOM 1229 N ARG A 81 -13.310 -2.473 6.382 1.00 0.00 N ATOM 1230 CA ARG A 81 -14.242 -2.373 5.266 1.00 0.00 C ATOM 1231 C ARG A 81 -13.951 -3.442 4.217 1.00 0.00 C ATOM 1232 O ARG A 81 -12.798 -3.663 3.845 1.00 0.00 O ATOM 1233 CB ARG A 81 -14.163 -0.984 4.630 1.00 0.00 C ATOM 1234 CG ARG A 81 -14.392 0.151 5.615 1.00 0.00 C ATOM 1235 CD ARG A 81 -15.874 0.427 5.812 1.00 0.00 C ATOM 1236 NE ARG A 81 -16.128 1.821 6.167 1.00 0.00 N ATOM 1237 CZ ARG A 81 -16.005 2.299 7.400 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -15.633 1.500 8.391 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -16.254 3.579 7.645 1.00 0.00 N ATOM 0 H ARG A 81 -12.339 -2.622 6.108 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.249 -2.531 5.652 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.184 -0.861 4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.903 -0.916 3.832 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.937 -0.100 6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.898 1.053 5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.413 0.182 4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.263 -0.223 6.595 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.415 2.462 5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.440 0.515 8.207 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.539 1.870 9.337 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.540 4.197 6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.159 3.945 8.592 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.002 -4.102 3.744 1.00 0.00 N ATOM 1254 CA TYR A 82 -14.859 -5.150 2.741 1.00 0.00 C ATOM 1255 C TYR A 82 -15.026 -4.583 1.334 1.00 0.00 C ATOM 1256 O TYR A 82 -15.726 -3.590 1.131 1.00 0.00 O ATOM 1257 CB TYR A 82 -15.884 -6.259 2.981 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.033 -6.641 4.436 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.014 -7.305 5.108 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.193 -6.339 5.139 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.146 -7.657 6.438 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.333 -6.686 6.469 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.307 -7.344 7.114 1.00 0.00 C ATOM 1264 OH TYR A 82 -16.443 -7.692 8.438 1.00 0.00 O ATOM 0 H TYR A 82 -15.963 -3.930 4.039 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.856 -5.567 2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -16.852 -5.937 2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.593 -7.141 2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.103 -7.550 4.582 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -17.999 -5.824 4.637 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.345 -8.174 6.945 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.241 -6.443 7.001 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.319 -7.398 8.765 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.380 -5.222 0.365 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.454 -4.782 -1.023 1.00 0.00 C ATOM 1276 C TYR A 83 -14.375 -5.971 -1.976 1.00 0.00 C ATOM 1277 O TYR A 83 -13.883 -7.039 -1.614 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.328 -3.793 -1.328 1.00 0.00 C ATOM 1279 CG TYR A 83 -13.567 -2.411 -0.764 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -13.282 -2.123 0.565 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.078 -1.393 -1.559 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -13.499 -0.861 1.085 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -14.298 -0.128 -1.049 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.007 0.133 0.274 1.00 0.00 C ATOM 1285 OH TYR A 83 -14.225 1.391 0.787 1.00 0.00 O ATOM 0 H TYR A 83 -13.799 -6.047 0.515 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.413 -4.285 -1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.393 -4.184 -0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.204 -3.719 -2.408 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -12.884 -2.899 1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -14.308 -1.594 -2.595 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.272 -0.654 2.120 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -14.695 0.652 -1.682 1.00 0.00 H new ATOM 0 HH TYR A 83 -13.581 1.568 1.505 1.00 0.00 H new ATOM 1295 N ASN A 84 -14.862 -5.775 -3.197 1.00 0.00 N ATOM 1296 CA ASN A 84 -14.847 -6.830 -4.204 1.00 0.00 C ATOM 1297 C ASN A 84 -13.418 -7.154 -4.630 1.00 0.00 C ATOM 1298 O ASN A 84 -13.015 -8.317 -4.656 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.672 -6.413 -5.422 1.00 0.00 C ATOM 1300 CG ASN A 84 -17.118 -6.122 -5.069 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -17.796 -6.946 -4.454 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -17.597 -4.947 -5.458 1.00 0.00 N ATOM 0 H ASN A 84 -15.272 -4.896 -3.513 1.00 0.00 H new ATOM 0 HA ASN A 84 -15.288 -7.724 -3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.226 -5.527 -5.874 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.636 -7.205 -6.170 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -18.563 -4.696 -5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -16.999 -4.295 -5.965 1.00 0.00 H new ATOM 1309 N SER A 85 -12.656 -6.117 -4.964 1.00 0.00 N ATOM 1310 CA SER A 85 -11.274 -6.291 -5.393 1.00 0.00 C ATOM 1311 C SER A 85 -10.510 -4.973 -5.310 1.00 0.00 C ATOM 1312 O SER A 85 -11.093 -3.896 -5.439 1.00 0.00 O ATOM 1313 CB SER A 85 -11.225 -6.833 -6.823 1.00 0.00 C ATOM 1314 OG SER A 85 -11.394 -8.240 -6.841 1.00 0.00 O ATOM 0 H SER A 85 -12.973 -5.148 -4.946 1.00 0.00 H new ATOM 0 HA SER A 85 -10.800 -7.009 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.005 -6.362 -7.421 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.271 -6.572 -7.282 1.00 0.00 H new ATOM 0 HG SER A 85 -11.866 -8.523 -6.030 1.00 0.00 H new ATOM 1320 N ILE A 86 -9.202 -5.067 -5.095 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.357 -3.883 -4.996 1.00 0.00 C ATOM 1322 C ILE A 86 -8.852 -2.776 -5.921 1.00 0.00 C ATOM 1323 O ILE A 86 -9.236 -1.699 -5.467 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.891 -4.207 -5.340 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.352 -5.289 -4.402 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -6.037 -2.951 -5.255 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -4.907 -5.651 -4.666 1.00 0.00 C ATOM 0 H ILE A 86 -8.704 -5.951 -4.986 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.412 -3.541 -3.962 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.847 -4.584 -6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.450 -4.947 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.966 -6.184 -4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.004 -3.196 -5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.411 -2.208 -5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.083 -2.547 -4.244 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.591 -6.423 -3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.806 -6.023 -5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.281 -4.768 -4.538 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.841 -3.050 -7.222 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.293 -2.068 -8.190 1.00 0.00 C ATOM 1341 C GLY A 87 -10.536 -1.331 -7.732 1.00 0.00 C ATOM 1342 O GLY A 87 -10.648 -0.118 -7.912 1.00 0.00 O ATOM 0 H GLY A 87 -8.527 -3.934 -7.623 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.495 -1.349 -8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.498 -2.565 -9.138 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.472 -2.065 -7.141 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.714 -1.473 -6.657 1.00 0.00 C ATOM 1348 C ASP A 88 -12.441 -0.485 -5.527 1.00 0.00 C ATOM 1349 O ASP A 88 -12.861 0.671 -5.586 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.670 -2.565 -6.175 1.00 0.00 C ATOM 1351 CG ASP A 88 -14.942 -1.998 -5.574 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -15.607 -1.186 -6.251 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -15.272 -2.367 -4.428 1.00 0.00 O ATOM 0 H ASP A 88 -11.395 -3.070 -6.985 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.177 -0.934 -7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.925 -3.215 -7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.165 -3.184 -5.433 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.735 -0.947 -4.501 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.406 -0.104 -3.358 1.00 0.00 C ATOM 1360 C ILE A 89 -11.042 1.308 -3.804 1.00 0.00 C ATOM 1361 O ILE A 89 -11.427 2.290 -3.167 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.238 -0.690 -2.544 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.683 -1.959 -1.813 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -9.712 0.340 -1.555 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.536 -2.862 -1.417 1.00 0.00 C ATOM 0 H ILE A 89 -11.380 -1.901 -4.438 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.294 -0.066 -2.727 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.432 -0.952 -3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.239 -1.677 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.369 -2.515 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.887 -0.089 -0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.362 1.219 -2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.511 0.629 -0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.926 -3.741 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.993 -3.174 -2.310 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.861 -2.323 -0.752 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.301 1.403 -4.903 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.888 2.695 -5.436 1.00 0.00 C ATOM 1379 C ILE A 90 -11.070 3.442 -6.045 1.00 0.00 C ATOM 1380 O ILE A 90 -11.499 4.474 -5.528 1.00 0.00 O ATOM 1381 CB ILE A 90 -8.789 2.539 -6.503 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.637 1.692 -5.960 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.286 3.903 -6.950 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -6.715 1.163 -7.036 1.00 0.00 C ATOM 0 H ILE A 90 -9.974 0.601 -5.441 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.491 3.269 -4.599 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.214 2.029 -7.368 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.057 2.290 -5.258 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.047 0.852 -5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.510 3.775 -7.704 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.112 4.475 -7.373 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.875 4.438 -6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.922 0.572 -6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.282 0.537 -7.726 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.276 1.998 -7.581 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.593 2.913 -7.146 1.00 0.00 N ATOM 1397 CA ASP A 91 -12.728 3.528 -7.825 1.00 0.00 C ATOM 1398 C ASP A 91 -13.709 4.119 -6.817 1.00 0.00 C ATOM 1399 O ASP A 91 -14.367 5.123 -7.091 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.440 2.500 -8.706 1.00 0.00 C ATOM 1401 CG ASP A 91 -12.784 2.349 -10.064 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -11.537 2.356 -10.125 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -13.518 2.224 -11.067 1.00 0.00 O ATOM 0 H ASP A 91 -11.249 2.060 -7.587 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.351 4.335 -8.453 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -13.447 1.535 -8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.480 2.798 -8.839 1.00 0.00 H new ATOM 1408 N HIS A 92 -13.803 3.488 -5.650 1.00 0.00 N ATOM 1409 CA HIS A 92 -14.704 3.952 -4.601 1.00 0.00 C ATOM 1410 C HIS A 92 -14.160 5.212 -3.935 1.00 0.00 C ATOM 1411 O HIS A 92 -14.836 6.240 -3.886 1.00 0.00 O ATOM 1412 CB HIS A 92 -14.909 2.856 -3.555 1.00 0.00 C ATOM 1413 CG HIS A 92 -15.599 3.333 -2.315 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -16.943 3.639 -2.271 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -15.123 3.557 -1.067 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -17.264 4.030 -1.051 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -16.177 3.989 -0.301 1.00 0.00 N ATOM 0 H HIS A 92 -13.267 2.655 -5.408 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.664 4.191 -5.060 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.492 2.048 -3.997 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -13.939 2.438 -3.284 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -14.104 3.421 -0.736 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -18.248 4.332 -0.722 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -16.129 4.238 0.687 1.00 0.00 H new ATOM 1425 N TYR A 93 -12.937 5.124 -3.424 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.304 6.257 -2.758 1.00 0.00 C ATOM 1427 C TYR A 93 -12.272 7.478 -3.673 1.00 0.00 C ATOM 1428 O TYR A 93 -12.307 8.617 -3.207 1.00 0.00 O ATOM 1429 CB TYR A 93 -10.884 5.891 -2.326 1.00 0.00 C ATOM 1430 CG TYR A 93 -10.815 5.234 -0.966 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.445 5.801 0.135 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -10.120 4.045 -0.781 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.384 5.205 1.379 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -10.055 3.441 0.459 1.00 0.00 C ATOM 1435 CZ TYR A 93 -10.688 4.025 1.536 1.00 0.00 C ATOM 1436 OH TYR A 93 -10.626 3.426 2.774 1.00 0.00 O ATOM 0 H TYR A 93 -12.364 4.281 -3.458 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.893 6.504 -1.875 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.450 5.220 -3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.272 6.793 -2.316 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.992 6.724 0.016 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.622 3.585 -1.622 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.879 5.660 2.224 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.511 2.516 0.585 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.997 2.675 2.743 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.205 7.230 -4.977 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.167 8.308 -5.958 1.00 0.00 C ATOM 1448 C ARG A 94 -13.304 9.299 -5.721 1.00 0.00 C ATOM 1449 O ARG A 94 -13.159 10.497 -5.965 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.258 7.740 -7.375 1.00 0.00 C ATOM 1451 CG ARG A 94 -11.057 6.897 -7.771 1.00 0.00 C ATOM 1452 CD ARG A 94 -10.829 6.922 -9.274 1.00 0.00 C ATOM 1453 NE ARG A 94 -11.898 6.242 -10.001 1.00 0.00 N ATOM 1454 CZ ARG A 94 -11.784 5.829 -11.259 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -10.654 6.026 -11.925 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -12.801 5.217 -11.852 1.00 0.00 N ATOM 0 H ARG A 94 -12.176 6.293 -5.378 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.219 8.835 -5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.160 7.134 -7.457 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.362 8.563 -8.082 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.168 7.267 -7.261 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.209 5.869 -7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.760 7.956 -9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.875 6.447 -9.504 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.780 6.075 -9.517 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.870 6.495 -11.472 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.569 5.708 -12.890 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.671 5.063 -11.342 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.713 4.900 -12.818 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.436 8.790 -5.246 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.598 9.628 -4.976 1.00 0.00 C ATOM 1472 C LYS A 95 -15.776 9.844 -3.477 1.00 0.00 C ATOM 1473 O LYS A 95 -16.509 10.737 -3.052 1.00 0.00 O ATOM 1474 CB LYS A 95 -16.859 8.992 -5.564 1.00 0.00 C ATOM 1475 CG LYS A 95 -17.238 7.675 -4.908 1.00 0.00 C ATOM 1476 CD LYS A 95 -18.667 7.278 -5.241 1.00 0.00 C ATOM 1477 CE LYS A 95 -19.657 7.880 -4.256 1.00 0.00 C ATOM 1478 NZ LYS A 95 -21.058 7.477 -4.562 1.00 0.00 N ATOM 0 H LYS A 95 -14.573 7.800 -5.040 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.434 10.597 -5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.689 9.691 -5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -16.709 8.827 -6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.555 6.893 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.125 7.760 -3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.911 7.607 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.756 6.192 -5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.401 7.564 -3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -19.578 8.967 -4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -21.702 7.908 -3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -21.311 7.800 -5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -21.140 6.441 -4.514 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.100 9.021 -2.680 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.185 9.124 -1.228 1.00 0.00 C ATOM 1494 C GLU A 96 -13.816 9.420 -0.623 1.00 0.00 C ATOM 1495 O GLU A 96 -12.853 8.690 -0.855 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.748 7.831 -0.635 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.245 7.670 -0.836 1.00 0.00 C ATOM 1498 CD GLU A 96 -17.897 6.856 0.265 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -17.160 6.246 1.067 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -19.144 6.828 0.323 1.00 0.00 O ATOM 0 H GLU A 96 -14.488 8.277 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.856 9.948 -0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.236 6.981 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.528 7.805 0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.710 8.655 -0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.429 7.189 -1.796 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.738 10.497 0.152 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.487 10.891 0.789 1.00 0.00 C ATOM 1509 C GLN A 97 -11.903 9.739 1.600 1.00 0.00 C ATOM 1510 O GLN A 97 -12.503 9.287 2.577 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.711 12.104 1.693 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.987 12.024 2.515 1.00 0.00 C ATOM 1513 CD GLN A 97 -14.027 13.049 3.632 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -14.266 12.712 4.791 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -13.793 14.310 3.287 1.00 0.00 N ATOM 0 H GLN A 97 -14.526 11.112 0.354 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.777 11.156 0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.861 12.206 2.367 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.741 13.004 1.079 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.846 12.172 1.861 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.079 11.025 2.941 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.599 14.545 2.314 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.807 15.044 3.996 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.731 9.267 1.190 1.00 0.00 N ATOM 1525 CA ILE A 98 -10.066 8.168 1.879 1.00 0.00 C ATOM 1526 C ILE A 98 -9.496 8.624 3.218 1.00 0.00 C ATOM 1527 O ILE A 98 -9.303 7.819 4.129 1.00 0.00 O ATOM 1528 CB ILE A 98 -8.931 7.573 1.025 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -8.261 6.413 1.766 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -7.911 8.647 0.678 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.200 5.709 0.950 1.00 0.00 C ATOM 0 H ILE A 98 -10.222 9.629 0.384 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.820 7.400 2.051 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.356 7.190 0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.811 6.790 2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -9.023 5.690 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.115 8.211 0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.398 9.444 0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.488 9.057 1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.768 4.899 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.649 5.302 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.418 6.419 0.680 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.229 9.921 3.330 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.683 10.485 4.559 1.00 0.00 C ATOM 1545 C VAL A 99 -9.637 11.508 5.165 1.00 0.00 C ATOM 1546 O VAL A 99 -10.750 11.699 4.675 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.319 11.156 4.311 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.446 11.068 5.554 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.624 10.523 3.115 1.00 0.00 C ATOM 0 H VAL A 99 -9.382 10.601 2.585 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.551 9.657 5.256 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.487 12.210 4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.487 11.547 5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.942 11.572 6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.283 10.021 5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.662 11.009 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.467 9.461 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.245 10.644 2.227 1.00 0.00 H new ATOM 1559 N GLU A 100 -9.194 12.163 6.234 1.00 0.00 N ATOM 1560 CA GLU A 100 -10.009 13.167 6.907 1.00 0.00 C ATOM 1561 C GLU A 100 -9.915 14.512 6.193 1.00 0.00 C ATOM 1562 O GLU A 100 -9.866 15.563 6.831 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.571 13.318 8.365 1.00 0.00 C ATOM 1564 CG GLU A 100 -8.162 13.866 8.523 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.988 14.669 9.798 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -7.923 14.052 10.882 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -7.917 15.912 9.712 1.00 0.00 O ATOM 0 H GLU A 100 -8.275 12.016 6.652 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.046 12.834 6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.269 13.979 8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.632 12.347 8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.452 13.039 8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.923 14.496 7.666 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.889 14.470 4.865 1.00 0.00 N ATOM 1575 CA GLY A 101 -9.800 15.692 4.086 1.00 0.00 C ATOM 1576 C GLY A 101 -8.898 15.544 2.877 1.00 0.00 C ATOM 1577 O GLY A 101 -8.205 16.486 2.491 1.00 0.00 O ATOM 0 H GLY A 101 -9.928 13.612 4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.798 15.983 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.425 16.496 4.719 1.00 0.00 H new ATOM 1581 N TYR A 102 -8.904 14.358 2.278 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.077 14.089 1.108 1.00 0.00 C ATOM 1583 C TYR A 102 -8.706 13.009 0.233 1.00 0.00 C ATOM 1584 O TYR A 102 -9.243 12.021 0.735 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.673 13.659 1.538 1.00 0.00 C ATOM 1586 CG TYR A 102 -5.881 14.759 2.207 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -6.174 15.164 3.503 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -4.839 15.394 1.542 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.454 16.170 4.117 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.112 16.399 2.149 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.423 16.784 3.437 1.00 0.00 C ATOM 1592 OH TYR A 102 -3.702 17.785 4.046 1.00 0.00 O ATOM 0 H TYR A 102 -9.472 13.568 2.584 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.006 15.008 0.525 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.754 12.814 2.222 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.125 13.309 0.663 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.979 14.684 4.040 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.594 15.096 0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.697 16.474 5.124 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.304 16.881 1.618 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.049 17.934 4.951 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.635 13.204 -1.079 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.198 12.249 -2.026 1.00 0.00 C ATOM 1604 C TYR A 103 -8.103 11.616 -2.878 1.00 0.00 C ATOM 1605 O TYR A 103 -6.936 12.002 -2.798 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.227 12.937 -2.925 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.538 13.229 -2.232 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -11.705 14.382 -1.475 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -12.611 12.352 -2.333 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -12.901 14.653 -0.840 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.811 12.615 -1.703 1.00 0.00 C ATOM 1612 CZ TYR A 103 -13.951 13.767 -0.957 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.145 14.032 -0.325 1.00 0.00 O ATOM 0 H TYR A 103 -8.193 14.015 -1.511 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.691 11.460 -1.458 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -9.806 13.871 -3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.417 12.306 -3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.885 15.079 -1.382 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -12.504 11.448 -2.915 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.013 15.554 -0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -14.635 11.923 -1.794 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.780 13.309 -0.509 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.487 10.642 -3.696 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.539 9.954 -4.565 1.00 0.00 C ATOM 1625 C LEU A 104 -7.628 10.482 -5.994 1.00 0.00 C ATOM 1626 O LEU A 104 -8.586 10.198 -6.714 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.803 8.447 -4.549 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.716 7.765 -3.184 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -7.977 6.273 -3.315 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.357 8.017 -2.547 1.00 0.00 C ATOM 0 H LEU A 104 -9.449 10.311 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.534 10.145 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.797 8.268 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.090 7.966 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.483 8.191 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.911 5.804 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.973 6.113 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.234 5.831 -3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.313 7.524 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.574 7.619 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.209 9.089 -2.417 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.623 11.251 -6.398 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.584 11.817 -7.742 1.00 0.00 C ATOM 1644 C LYS A 105 -6.074 10.792 -8.749 1.00 0.00 C ATOM 1645 O LYS A 105 -6.844 10.253 -9.544 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.693 13.061 -7.768 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.339 14.284 -7.141 1.00 0.00 C ATOM 1648 CD LYS A 105 -7.306 14.957 -8.101 1.00 0.00 C ATOM 1649 CE LYS A 105 -6.613 16.023 -8.935 1.00 0.00 C ATOM 1650 NZ LYS A 105 -5.757 16.911 -8.101 1.00 0.00 N ATOM 0 H LYS A 105 -5.824 11.497 -5.814 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.599 12.099 -8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.763 12.843 -7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.431 13.288 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.869 13.992 -6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.566 14.993 -6.845 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.747 14.208 -8.759 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.124 15.408 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.002 15.545 -9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.362 16.622 -9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.634 17.825 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.211 17.063 -7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.828 16.466 -7.961 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.772 10.526 -8.709 1.00 0.00 N ATOM 1665 CA GLU A 106 -4.161 9.565 -9.619 1.00 0.00 C ATOM 1666 C GLU A 106 -3.026 8.811 -8.932 1.00 0.00 C ATOM 1667 O GLU A 106 -2.281 9.363 -8.122 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.634 10.275 -10.868 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.624 11.369 -10.565 1.00 0.00 C ATOM 1670 CD GLU A 106 -2.093 12.036 -11.819 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -1.793 11.313 -12.793 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -1.976 13.279 -11.827 1.00 0.00 O ATOM 0 H GLU A 106 -4.121 10.962 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.925 8.846 -9.914 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.173 9.539 -11.527 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.474 10.708 -11.411 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.089 12.121 -9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.792 10.945 -10.003 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.890 7.518 -9.261 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.849 6.660 -8.688 1.00 0.00 C ATOM 1681 C PRO A 107 -0.454 7.033 -9.180 1.00 0.00 C ATOM 1682 O PRO A 107 -0.305 7.790 -10.139 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.232 5.261 -9.178 1.00 0.00 C ATOM 1684 CG PRO A 107 -3.009 5.497 -10.427 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.742 6.794 -10.220 1.00 0.00 C ATOM 0 HA PRO A 107 -1.801 6.748 -7.603 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.348 4.653 -9.371 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.828 4.731 -8.435 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.349 5.556 -11.292 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.706 4.680 -10.613 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.855 7.345 -11.153 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.744 6.630 -9.824 1.00 0.00 H new ATOM 1693 N VAL A 108 0.565 6.496 -8.517 1.00 0.00 N ATOM 1694 CA VAL A 108 1.948 6.771 -8.888 1.00 0.00 C ATOM 1695 C VAL A 108 2.351 5.985 -10.131 1.00 0.00 C ATOM 1696 O VAL A 108 2.250 4.759 -10.180 1.00 0.00 O ATOM 1697 CB VAL A 108 2.916 6.427 -7.740 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.355 6.683 -8.161 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.567 7.224 -6.493 1.00 0.00 C ATOM 0 H VAL A 108 0.459 5.868 -7.720 1.00 0.00 H new ATOM 0 HA VAL A 108 2.012 7.838 -9.100 1.00 0.00 H new ATOM 0 HB VAL A 108 2.814 5.367 -7.506 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.025 6.435 -7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.597 6.064 -9.025 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.476 7.734 -8.423 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.261 6.969 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.640 8.290 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.550 6.986 -6.182 1.00 0.00 H new ATOM 1709 N PRO A 109 2.819 6.705 -11.161 1.00 0.00 N ATOM 1710 CA PRO A 109 3.248 6.095 -12.423 1.00 0.00 C ATOM 1711 C PRO A 109 4.536 5.293 -12.271 1.00 0.00 C ATOM 1712 O PRO A 109 5.403 5.639 -11.469 1.00 0.00 O ATOM 1713 CB PRO A 109 3.473 7.300 -13.340 1.00 0.00 C ATOM 1714 CG PRO A 109 3.771 8.429 -12.416 1.00 0.00 C ATOM 1715 CD PRO A 109 2.967 8.170 -11.172 1.00 0.00 C ATOM 0 HA PRO A 109 2.514 5.384 -12.803 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.299 7.124 -14.029 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.591 7.507 -13.946 1.00 0.00 H new ATOM 0 HG2 PRO A 109 4.836 8.477 -12.189 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.498 9.384 -12.866 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.480 8.529 -10.280 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.000 8.671 -11.207 1.00 0.00 H new ATOM 1723 N MET A 110 4.655 4.221 -13.047 1.00 0.00 N ATOM 1724 CA MET A 110 5.838 3.370 -12.999 1.00 0.00 C ATOM 1725 C MET A 110 7.058 4.105 -13.547 1.00 0.00 C ATOM 1726 O MET A 110 6.927 5.035 -14.343 1.00 0.00 O ATOM 1727 CB MET A 110 5.603 2.086 -13.796 1.00 0.00 C ATOM 1728 CG MET A 110 4.147 1.650 -13.830 1.00 0.00 C ATOM 1729 SD MET A 110 3.277 2.248 -15.292 1.00 0.00 S ATOM 1730 CE MET A 110 4.387 1.710 -16.590 1.00 0.00 C ATOM 0 H MET A 110 3.947 3.921 -13.717 1.00 0.00 H new ATOM 0 HA MET A 110 6.027 3.112 -11.957 1.00 0.00 H new ATOM 0 HB2 MET A 110 5.954 2.233 -14.818 1.00 0.00 H new ATOM 0 HB3 MET A 110 6.204 1.285 -13.365 1.00 0.00 H new ATOM 0 HG2 MET A 110 4.097 0.562 -13.802 1.00 0.00 H new ATOM 0 HG3 MET A 110 3.641 2.015 -12.936 1.00 0.00 H new ATOM 0 HE1 MET A 110 3.809 1.439 -17.474 1.00 0.00 H new ATOM 0 HE2 MET A 110 5.074 2.519 -16.840 1.00 0.00 H new ATOM 0 HE3 MET A 110 4.954 0.844 -16.248 1.00 0.00 H new