USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 438 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 29 SER OG : rot 120:sc= 0.0076 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -153:sc= 0.00855 (180deg=-0.702) USER MOD Set 2.1: A 18 GLN : amide:sc= -0.723 K(o=-2,f=-1.3) USER MOD Set 2.2: A 37 GLN : amide:sc= -1.17 K(o=-2,f=-3) USER MOD Set 2.3: A 41 GLN : amide:sc= -0.122 K(o=-2,f=-3!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.789 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 21 MET CE :methyl -171:sc= -0.913 (180deg=-0.988) USER MOD Single : A 23 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.039) USER MOD Single : A 26 SER OG : rot -65:sc= 1.22 USER MOD Single : A 27 THR OG1 : rot -15:sc= 0.123 USER MOD Single : A 28 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.64) USER MOD Single : A 31 MET CE :methyl -134:sc= -2.35 (180deg=-3.19) USER MOD Single : A 32 ASN : amide:sc= -2.92! X(o=-2.9!,f=-2.6) USER MOD Single : A 36 SER OG : rot 63:sc= -0.79 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot -110:sc= -1.64 USER MOD Single : A 43 ASN : amide:sc= -3.35! C(o=-3.4!,f=-8.1!) USER MOD Single : A 44 ASN : amide:sc= -1.23 X(o=-1.2,f=-0.84!) USER MOD Single : A 47 TYR OH : rot 82:sc= -2.79! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -58:sc= -0.924 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0324 USER MOD Single : A 56 HIS : no HD1:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 14 16.458 2.364 2.158 1.00 0.00 N ATOM 161 CA LEU A 14 15.234 3.036 2.579 1.00 0.00 C ATOM 162 C LEU A 14 15.548 4.165 3.562 1.00 0.00 C ATOM 163 O LEU A 14 16.675 4.292 4.038 1.00 0.00 O ATOM 164 CB LEU A 14 14.267 2.024 3.205 1.00 0.00 C ATOM 165 CG LEU A 14 12.874 2.561 3.554 1.00 0.00 C ATOM 166 CD1 LEU A 14 12.220 3.235 2.358 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.987 1.442 4.058 1.00 0.00 C ATOM 0 HA LEU A 14 14.758 3.476 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 14 14.151 1.187 2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.722 1.629 4.114 1.00 0.00 H new ATOM 0 HG LEU A 14 12.998 3.306 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.234 3.603 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.838 4.070 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.118 2.515 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.002 1.840 4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.889 0.679 3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.430 1.000 4.950 1.00 0.00 H new ATOM 179 N SER A 15 14.544 4.986 3.846 1.00 0.00 N ATOM 180 CA SER A 15 14.692 6.116 4.752 1.00 0.00 C ATOM 181 C SER A 15 13.354 6.392 5.428 1.00 0.00 C ATOM 182 O SER A 15 12.442 5.587 5.312 1.00 0.00 O ATOM 183 CB SER A 15 15.173 7.336 3.960 1.00 0.00 C ATOM 184 OG SER A 15 14.079 8.117 3.512 1.00 0.00 O ATOM 0 H SER A 15 13.607 4.887 3.455 1.00 0.00 H new ATOM 0 HA SER A 15 15.429 5.893 5.523 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.827 7.945 4.585 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.764 7.008 3.105 1.00 0.00 H new ATOM 0 HG SER A 15 14.413 8.890 3.011 1.00 0.00 H new ATOM 190 N PRO A 16 13.207 7.518 6.151 1.00 0.00 N ATOM 191 CA PRO A 16 11.946 7.853 6.827 1.00 0.00 C ATOM 192 C PRO A 16 10.732 7.704 5.908 1.00 0.00 C ATOM 193 O PRO A 16 9.612 7.521 6.375 1.00 0.00 O ATOM 194 CB PRO A 16 12.150 9.313 7.229 1.00 0.00 C ATOM 195 CG PRO A 16 13.623 9.442 7.405 1.00 0.00 C ATOM 196 CD PRO A 16 14.242 8.543 6.378 1.00 0.00 C ATOM 0 HA PRO A 16 11.737 7.190 7.667 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.780 9.993 6.461 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.617 9.551 8.149 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.944 10.474 7.264 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.923 9.149 8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.479 9.084 5.462 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.172 8.102 6.738 1.00 0.00 H new ATOM 204 N GLU A 17 10.968 7.774 4.600 1.00 0.00 N ATOM 205 CA GLU A 17 9.924 7.637 3.595 1.00 0.00 C ATOM 206 C GLU A 17 8.965 6.498 3.931 1.00 0.00 C ATOM 207 O GLU A 17 7.795 6.511 3.546 1.00 0.00 O ATOM 208 CB GLU A 17 10.630 7.409 2.239 1.00 0.00 C ATOM 209 CG GLU A 17 10.261 6.139 1.445 1.00 0.00 C ATOM 210 CD GLU A 17 10.319 6.366 -0.051 1.00 0.00 C ATOM 211 OE1 GLU A 17 9.640 7.294 -0.538 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.044 5.616 -0.737 1.00 0.00 O ATOM 0 H GLU A 17 11.897 7.929 4.208 1.00 0.00 H new ATOM 0 HA GLU A 17 9.310 8.537 3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.426 8.272 1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.705 7.392 2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.942 5.332 1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.258 5.816 1.724 1.00 0.00 H new ATOM 219 N GLN A 18 9.498 5.499 4.596 1.00 0.00 N ATOM 220 CA GLN A 18 8.752 4.309 4.944 1.00 0.00 C ATOM 221 C GLN A 18 7.583 4.571 5.867 1.00 0.00 C ATOM 222 O GLN A 18 6.492 4.070 5.652 1.00 0.00 O ATOM 223 CB GLN A 18 9.681 3.295 5.586 1.00 0.00 C ATOM 224 CG GLN A 18 9.212 1.884 5.369 1.00 0.00 C ATOM 225 CD GLN A 18 9.750 0.912 6.400 1.00 0.00 C ATOM 226 OE1 GLN A 18 10.815 1.128 6.980 1.00 0.00 O ATOM 227 NE2 GLN A 18 9.012 -0.166 6.640 1.00 0.00 N ATOM 0 H GLN A 18 10.467 5.488 4.913 1.00 0.00 H new ATOM 0 HA GLN A 18 8.336 3.924 4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.684 3.411 5.175 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.750 3.493 6.656 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.122 1.862 5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.516 1.555 4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.136 -0.306 6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.321 -0.853 7.327 1.00 0.00 H new ATOM 236 N GLN A 19 7.810 5.323 6.905 1.00 0.00 N ATOM 237 CA GLN A 19 6.746 5.605 7.854 1.00 0.00 C ATOM 238 C GLN A 19 5.941 6.818 7.423 1.00 0.00 C ATOM 239 O GLN A 19 4.786 6.978 7.818 1.00 0.00 O ATOM 240 CB GLN A 19 7.308 5.805 9.262 1.00 0.00 C ATOM 241 CG GLN A 19 6.250 6.157 10.295 1.00 0.00 C ATOM 242 CD GLN A 19 6.836 6.404 11.671 1.00 0.00 C ATOM 243 OE1 GLN A 19 7.771 5.722 12.091 1.00 0.00 O ATOM 244 NE2 GLN A 19 6.289 7.384 12.380 1.00 0.00 N ATOM 0 H GLN A 19 8.709 5.753 7.124 1.00 0.00 H new ATOM 0 HA GLN A 19 6.079 4.743 7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.819 4.894 9.573 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.057 6.597 9.236 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.711 7.047 9.969 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.522 5.348 10.354 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.515 7.924 11.992 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.642 7.597 13.313 1.00 0.00 H new ATOM 253 N GLU A 20 6.541 7.656 6.594 1.00 0.00 N ATOM 254 CA GLU A 20 5.857 8.828 6.095 1.00 0.00 C ATOM 255 C GLU A 20 4.841 8.416 5.042 1.00 0.00 C ATOM 256 O GLU A 20 3.861 9.121 4.802 1.00 0.00 O ATOM 257 CB GLU A 20 6.858 9.823 5.504 1.00 0.00 C ATOM 258 CG GLU A 20 6.743 11.222 6.087 1.00 0.00 C ATOM 259 CD GLU A 20 7.843 12.147 5.604 1.00 0.00 C ATOM 260 OE1 GLU A 20 8.977 12.038 6.114 1.00 0.00 O ATOM 261 OE2 GLU A 20 7.570 12.981 4.715 1.00 0.00 O ATOM 0 H GLU A 20 7.497 7.544 6.256 1.00 0.00 H new ATOM 0 HA GLU A 20 5.340 9.314 6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.869 9.451 5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.712 9.875 4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.774 11.645 5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.775 11.162 7.175 1.00 0.00 H new ATOM 268 N MET A 21 5.090 7.274 4.397 1.00 0.00 N ATOM 269 CA MET A 21 4.207 6.791 3.358 1.00 0.00 C ATOM 270 C MET A 21 3.391 5.588 3.795 1.00 0.00 C ATOM 271 O MET A 21 2.171 5.614 3.722 1.00 0.00 O ATOM 272 CB MET A 21 5.043 6.455 2.139 1.00 0.00 C ATOM 273 CG MET A 21 5.509 7.694 1.414 1.00 0.00 C ATOM 274 SD MET A 21 5.809 7.422 -0.338 1.00 0.00 S ATOM 275 CE MET A 21 5.714 9.098 -0.963 1.00 0.00 C ATOM 0 H MET A 21 5.895 6.676 4.582 1.00 0.00 H new ATOM 0 HA MET A 21 3.487 7.576 3.125 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.908 5.866 2.444 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.459 5.835 1.459 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.760 8.478 1.530 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.425 8.057 1.880 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.720 9.081 -2.053 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.794 9.566 -0.612 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.571 9.669 -0.605 1.00 0.00 H new ATOM 285 N LEU A 22 4.063 4.533 4.227 1.00 0.00 N ATOM 286 CA LEU A 22 3.381 3.315 4.657 1.00 0.00 C ATOM 287 C LEU A 22 2.220 3.625 5.601 1.00 0.00 C ATOM 288 O LEU A 22 1.116 3.112 5.426 1.00 0.00 O ATOM 289 CB LEU A 22 4.363 2.366 5.344 1.00 0.00 C ATOM 290 CG LEU A 22 3.995 0.890 5.286 1.00 0.00 C ATOM 291 CD1 LEU A 22 5.090 0.056 5.927 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.659 0.646 5.967 1.00 0.00 C ATOM 0 H LEU A 22 5.080 4.492 4.291 1.00 0.00 H new ATOM 0 HA LEU A 22 2.978 2.835 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.345 2.496 4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.454 2.659 6.390 1.00 0.00 H new ATOM 0 HG LEU A 22 3.899 0.592 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.818 -0.999 5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.027 0.213 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.212 0.354 6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.413 -0.415 5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.721 0.954 7.011 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.883 1.223 5.464 1.00 0.00 H new ATOM 304 N GLN A 23 2.477 4.458 6.606 1.00 0.00 N ATOM 305 CA GLN A 23 1.447 4.820 7.575 1.00 0.00 C ATOM 306 C GLN A 23 0.254 5.479 6.893 1.00 0.00 C ATOM 307 O GLN A 23 -0.886 5.048 7.070 1.00 0.00 O ATOM 308 CB GLN A 23 2.010 5.757 8.643 1.00 0.00 C ATOM 309 CG GLN A 23 0.958 6.251 9.625 1.00 0.00 C ATOM 310 CD GLN A 23 1.042 7.746 9.866 1.00 0.00 C ATOM 311 OE1 GLN A 23 1.129 8.197 11.008 1.00 0.00 O ATOM 312 NE2 GLN A 23 1.017 8.522 8.788 1.00 0.00 N ATOM 0 H GLN A 23 3.385 4.893 6.770 1.00 0.00 H new ATOM 0 HA GLN A 23 1.111 3.899 8.051 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.796 5.239 9.193 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.474 6.615 8.156 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.033 6.003 9.245 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.077 5.727 10.573 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.944 8.104 7.860 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.071 9.536 8.888 1.00 0.00 H new ATOM 321 N ALA A 24 0.518 6.521 6.112 1.00 0.00 N ATOM 322 CA ALA A 24 -0.548 7.223 5.409 1.00 0.00 C ATOM 323 C ALA A 24 -1.043 6.418 4.211 1.00 0.00 C ATOM 324 O ALA A 24 -1.993 6.813 3.537 1.00 0.00 O ATOM 325 CB ALA A 24 -0.063 8.589 4.962 1.00 0.00 C ATOM 0 H ALA A 24 1.453 6.895 5.951 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.385 7.348 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.866 9.107 4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.236 9.172 5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.790 8.471 4.294 1.00 0.00 H new ATOM 331 N PHE A 25 -0.399 5.284 3.952 1.00 0.00 N ATOM 332 CA PHE A 25 -0.773 4.437 2.841 1.00 0.00 C ATOM 333 C PHE A 25 -1.793 3.395 3.287 1.00 0.00 C ATOM 334 O PHE A 25 -2.642 2.962 2.509 1.00 0.00 O ATOM 335 CB PHE A 25 0.466 3.757 2.276 1.00 0.00 C ATOM 336 CG PHE A 25 0.231 3.057 0.972 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.614 1.961 0.888 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.870 3.494 -0.172 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.815 1.318 -0.316 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.675 2.856 -1.376 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.171 1.768 -1.448 1.00 0.00 C ATOM 0 H PHE A 25 0.386 4.936 4.503 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.228 5.051 2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.249 4.503 2.141 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.836 3.035 3.004 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.120 1.607 1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.531 4.347 -0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.475 0.465 -0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.183 3.206 -2.262 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.328 1.269 -2.393 1.00 0.00 H new ATOM 351 N SER A 26 -1.716 3.004 4.553 1.00 0.00 N ATOM 352 CA SER A 26 -2.652 2.032 5.089 1.00 0.00 C ATOM 353 C SER A 26 -4.066 2.578 4.947 1.00 0.00 C ATOM 354 O SER A 26 -4.980 1.876 4.517 1.00 0.00 O ATOM 355 CB SER A 26 -2.341 1.736 6.558 1.00 0.00 C ATOM 356 OG SER A 26 -2.366 2.922 7.334 1.00 0.00 O ATOM 0 H SER A 26 -1.022 3.342 5.219 1.00 0.00 H new ATOM 0 HA SER A 26 -2.562 1.099 4.533 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.068 1.025 6.951 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.361 1.266 6.638 1.00 0.00 H new ATOM 0 HG SER A 26 -1.639 3.514 7.050 1.00 0.00 H new ATOM 362 N THR A 27 -4.224 3.854 5.290 1.00 0.00 N ATOM 363 CA THR A 27 -5.514 4.522 5.179 1.00 0.00 C ATOM 364 C THR A 27 -5.835 4.847 3.718 1.00 0.00 C ATOM 365 O THR A 27 -6.985 5.123 3.375 1.00 0.00 O ATOM 366 CB THR A 27 -5.521 5.805 6.013 1.00 0.00 C ATOM 367 OG1 THR A 27 -6.719 6.533 5.804 1.00 0.00 O ATOM 368 CG2 THR A 27 -4.363 6.728 5.700 1.00 0.00 C ATOM 0 H THR A 27 -3.473 4.445 5.647 1.00 0.00 H new ATOM 0 HA THR A 27 -6.280 3.846 5.559 1.00 0.00 H new ATOM 0 HB THR A 27 -5.434 5.477 7.049 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.170 6.197 5.002 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.428 7.618 6.326 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.423 6.213 5.898 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.403 7.019 4.650 1.00 0.00 H new ATOM 376 N GLN A 28 -4.808 4.811 2.858 1.00 0.00 N ATOM 377 CA GLN A 28 -4.967 5.096 1.428 1.00 0.00 C ATOM 378 C GLN A 28 -6.259 4.490 0.885 1.00 0.00 C ATOM 379 O GLN A 28 -7.210 5.208 0.578 1.00 0.00 O ATOM 380 CB GLN A 28 -3.758 4.550 0.656 1.00 0.00 C ATOM 381 CG GLN A 28 -3.481 5.220 -0.686 1.00 0.00 C ATOM 382 CD GLN A 28 -3.827 6.698 -0.710 1.00 0.00 C ATOM 383 OE1 GLN A 28 -4.481 7.181 -1.635 1.00 0.00 O ATOM 384 NE2 GLN A 28 -3.386 7.425 0.312 1.00 0.00 N ATOM 0 H GLN A 28 -3.852 4.585 3.132 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.024 6.176 1.295 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.872 4.651 1.283 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.908 3.484 0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.426 5.098 -0.933 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.051 4.709 -1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.847 6.983 1.057 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.586 8.424 0.351 1.00 0.00 H new ATOM 393 N SER A 29 -6.299 3.165 0.798 1.00 0.00 N ATOM 394 CA SER A 29 -7.489 2.478 0.327 1.00 0.00 C ATOM 395 C SER A 29 -7.884 1.380 1.304 1.00 0.00 C ATOM 396 O SER A 29 -8.484 0.375 0.925 1.00 0.00 O ATOM 397 CB SER A 29 -7.292 1.911 -1.079 1.00 0.00 C ATOM 398 OG SER A 29 -8.279 2.400 -1.969 1.00 0.00 O ATOM 0 H SER A 29 -5.524 2.551 1.047 1.00 0.00 H new ATOM 0 HA SER A 29 -8.298 3.206 0.272 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.302 2.179 -1.447 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.336 0.822 -1.045 1.00 0.00 H new ATOM 0 HG SER A 29 -7.847 2.888 -2.700 1.00 0.00 H new ATOM 404 N GLY A 30 -7.546 1.595 2.575 1.00 0.00 N ATOM 405 CA GLY A 30 -7.873 0.633 3.610 1.00 0.00 C ATOM 406 C GLY A 30 -6.783 -0.397 3.838 1.00 0.00 C ATOM 407 O GLY A 30 -6.978 -1.345 4.599 1.00 0.00 O ATOM 0 H GLY A 30 -7.049 2.423 2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.062 1.164 4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.797 0.121 3.341 1.00 0.00 H new ATOM 411 N MET A 31 -5.638 -0.230 3.182 1.00 0.00 N ATOM 412 CA MET A 31 -4.542 -1.183 3.336 1.00 0.00 C ATOM 413 C MET A 31 -3.982 -1.159 4.759 1.00 0.00 C ATOM 414 O MET A 31 -4.144 -0.179 5.486 1.00 0.00 O ATOM 415 CB MET A 31 -3.428 -0.885 2.333 1.00 0.00 C ATOM 416 CG MET A 31 -2.649 -2.119 1.904 1.00 0.00 C ATOM 417 SD MET A 31 -3.704 -3.395 1.189 1.00 0.00 S ATOM 418 CE MET A 31 -2.615 -4.070 -0.063 1.00 0.00 C ATOM 0 H MET A 31 -5.446 0.545 2.547 1.00 0.00 H new ATOM 0 HA MET A 31 -4.940 -2.179 3.141 1.00 0.00 H new ATOM 0 HB2 MET A 31 -3.861 -0.414 1.451 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.738 -0.165 2.772 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.891 -1.830 1.176 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.123 -2.529 2.766 1.00 0.00 H new ATOM 0 HE1 MET A 31 -3.162 -4.181 -0.999 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.771 -3.396 -0.213 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.249 -5.044 0.260 1.00 0.00 H new ATOM 428 N ASN A 32 -3.321 -2.247 5.145 1.00 0.00 N ATOM 429 CA ASN A 32 -2.730 -2.362 6.475 1.00 0.00 C ATOM 430 C ASN A 32 -1.364 -1.688 6.527 1.00 0.00 C ATOM 431 O ASN A 32 -1.038 -0.856 5.681 1.00 0.00 O ATOM 432 CB ASN A 32 -2.603 -3.820 6.862 1.00 0.00 C ATOM 433 CG ASN A 32 -3.290 -4.153 8.160 1.00 0.00 C ATOM 434 OD1 ASN A 32 -3.477 -3.301 9.029 1.00 0.00 O ATOM 435 ND2 ASN A 32 -3.668 -5.410 8.283 1.00 0.00 N ATOM 0 H ASN A 32 -3.181 -3.065 4.552 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.387 -1.857 7.184 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.023 -4.438 6.068 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.547 -4.077 6.941 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -4.142 -5.719 9.132 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.487 -6.073 7.530 1.00 0.00 H new ATOM 442 N LEU A 33 -0.565 -2.055 7.525 1.00 0.00 N ATOM 443 CA LEU A 33 0.768 -1.487 7.683 1.00 0.00 C ATOM 444 C LEU A 33 1.853 -2.457 7.207 1.00 0.00 C ATOM 445 O LEU A 33 3.038 -2.233 7.450 1.00 0.00 O ATOM 446 CB LEU A 33 1.013 -1.120 9.150 1.00 0.00 C ATOM 447 CG LEU A 33 0.822 0.359 9.493 1.00 0.00 C ATOM 448 CD1 LEU A 33 2.025 1.171 9.039 1.00 0.00 C ATOM 449 CD2 LEU A 33 -0.454 0.893 8.859 1.00 0.00 C ATOM 0 H LEU A 33 -0.818 -2.742 8.235 1.00 0.00 H new ATOM 0 HA LEU A 33 0.821 -0.590 7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.341 -1.710 9.773 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.030 -1.409 9.415 1.00 0.00 H new ATOM 0 HG LEU A 33 0.733 0.453 10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.872 2.220 9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.921 0.805 9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.145 1.071 7.960 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.574 1.946 9.114 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.395 0.786 7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.309 0.330 9.233 1.00 0.00 H new ATOM 461 N GLU A 34 1.450 -3.537 6.536 1.00 0.00 N ATOM 462 CA GLU A 34 2.414 -4.524 6.049 1.00 0.00 C ATOM 463 C GLU A 34 2.186 -4.891 4.583 1.00 0.00 C ATOM 464 O GLU A 34 3.134 -5.234 3.875 1.00 0.00 O ATOM 465 CB GLU A 34 2.364 -5.785 6.914 1.00 0.00 C ATOM 466 CG GLU A 34 2.504 -5.507 8.402 1.00 0.00 C ATOM 467 CD GLU A 34 3.902 -5.784 8.919 1.00 0.00 C ATOM 468 OE1 GLU A 34 4.850 -5.120 8.450 1.00 0.00 O ATOM 469 OE2 GLU A 34 4.049 -6.666 9.791 1.00 0.00 O ATOM 0 H GLU A 34 0.476 -3.749 6.320 1.00 0.00 H new ATOM 0 HA GLU A 34 3.401 -4.067 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.420 -6.300 6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.160 -6.461 6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.248 -4.466 8.599 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.790 -6.120 8.951 1.00 0.00 H new ATOM 476 N TRP A 35 0.948 -4.798 4.118 1.00 0.00 N ATOM 477 CA TRP A 35 0.644 -5.102 2.726 1.00 0.00 C ATOM 478 C TRP A 35 0.817 -3.840 1.896 1.00 0.00 C ATOM 479 O TRP A 35 1.179 -3.892 0.721 1.00 0.00 O ATOM 480 CB TRP A 35 -0.774 -5.658 2.567 1.00 0.00 C ATOM 481 CG TRP A 35 -1.236 -6.483 3.721 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.536 -6.071 4.981 1.00 0.00 C ATOM 483 CD2 TRP A 35 -1.452 -7.876 3.701 1.00 0.00 C ATOM 484 NE1 TRP A 35 -1.930 -7.131 5.747 1.00 0.00 N ATOM 485 CE2 TRP A 35 -1.883 -8.262 4.977 1.00 0.00 C ATOM 486 CE3 TRP A 35 -1.319 -8.826 2.714 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -2.182 -9.582 5.285 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -1.618 -10.140 3.017 1.00 0.00 C ATOM 489 CH2 TRP A 35 -2.044 -10.507 4.294 1.00 0.00 C ATOM 0 H TRP A 35 0.144 -4.517 4.679 1.00 0.00 H new ATOM 0 HA TRP A 35 1.332 -5.872 2.377 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.465 -4.827 2.428 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.816 -6.263 1.661 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.472 -5.050 5.327 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.211 -7.087 6.726 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.988 -8.550 1.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.512 -9.865 6.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.520 -10.896 2.252 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.268 -11.543 4.501 1.00 0.00 H new ATOM 500 N SER A 36 0.573 -2.702 2.539 1.00 0.00 N ATOM 501 CA SER A 36 0.715 -1.407 1.899 1.00 0.00 C ATOM 502 C SER A 36 2.170 -1.170 1.497 1.00 0.00 C ATOM 503 O SER A 36 2.449 -0.578 0.454 1.00 0.00 O ATOM 504 CB SER A 36 0.237 -0.306 2.852 1.00 0.00 C ATOM 505 OG SER A 36 1.005 0.877 2.708 1.00 0.00 O ATOM 0 H SER A 36 0.273 -2.656 3.513 1.00 0.00 H new ATOM 0 HA SER A 36 0.103 -1.386 0.997 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.812 -0.085 2.657 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.303 -0.660 3.881 1.00 0.00 H new ATOM 0 HG SER A 36 0.894 1.231 1.801 1.00 0.00 H new ATOM 511 N GLN A 37 3.095 -1.635 2.337 1.00 0.00 N ATOM 512 CA GLN A 37 4.521 -1.473 2.076 1.00 0.00 C ATOM 513 C GLN A 37 4.917 -2.103 0.745 1.00 0.00 C ATOM 514 O GLN A 37 5.611 -1.485 -0.061 1.00 0.00 O ATOM 515 CB GLN A 37 5.341 -2.097 3.206 1.00 0.00 C ATOM 516 CG GLN A 37 6.837 -2.102 2.940 1.00 0.00 C ATOM 517 CD GLN A 37 7.659 -1.899 4.197 1.00 0.00 C ATOM 518 OE1 GLN A 37 7.152 -2.018 5.312 1.00 0.00 O ATOM 519 NE2 GLN A 37 8.940 -1.590 4.021 1.00 0.00 N ATOM 0 H GLN A 37 2.880 -2.127 3.204 1.00 0.00 H new ATOM 0 HA GLN A 37 4.729 -0.404 2.024 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.146 -1.551 4.129 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.005 -3.122 3.365 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.116 -3.049 2.478 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.077 -1.316 2.224 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.318 -1.502 3.078 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.544 -1.441 4.829 1.00 0.00 H new ATOM 528 N LYS A 38 4.484 -3.342 0.526 1.00 0.00 N ATOM 529 CA LYS A 38 4.807 -4.061 -0.705 1.00 0.00 C ATOM 530 C LYS A 38 4.600 -3.182 -1.932 1.00 0.00 C ATOM 531 O LYS A 38 5.407 -3.201 -2.862 1.00 0.00 O ATOM 532 CB LYS A 38 3.960 -5.329 -0.819 1.00 0.00 C ATOM 533 CG LYS A 38 4.707 -6.508 -1.420 1.00 0.00 C ATOM 534 CD LYS A 38 4.126 -7.832 -0.952 1.00 0.00 C ATOM 535 CE LYS A 38 3.178 -8.420 -1.985 1.00 0.00 C ATOM 536 NZ LYS A 38 3.815 -9.520 -2.761 1.00 0.00 N ATOM 0 H LYS A 38 3.909 -3.869 1.184 1.00 0.00 H new ATOM 0 HA LYS A 38 5.860 -4.338 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.599 -5.605 0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.083 -5.116 -1.430 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.661 -6.453 -2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.760 -6.453 -1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.934 -8.536 -0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.595 -7.686 -0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.286 -8.798 -1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.853 -7.635 -2.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.136 -9.894 -3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.652 -9.154 -3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.102 -10.281 -2.113 1.00 0.00 H new ATOM 550 N CYS A 39 3.524 -2.409 -1.927 1.00 0.00 N ATOM 551 CA CYS A 39 3.230 -1.521 -3.041 1.00 0.00 C ATOM 552 C CYS A 39 4.225 -0.372 -3.077 1.00 0.00 C ATOM 553 O CYS A 39 4.723 0.002 -4.138 1.00 0.00 O ATOM 554 CB CYS A 39 1.805 -0.981 -2.936 1.00 0.00 C ATOM 555 SG CYS A 39 0.547 -2.122 -3.552 1.00 0.00 S ATOM 0 H CYS A 39 2.843 -2.379 -1.168 1.00 0.00 H new ATOM 0 HA CYS A 39 3.317 -2.090 -3.966 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.591 -0.747 -1.893 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.738 -0.046 -3.493 1.00 0.00 H new ATOM 0 HG CYS A 39 0.042 -1.656 -4.655 1.00 0.00 H new ATOM 561 N LEU A 40 4.519 0.177 -1.905 1.00 0.00 N ATOM 562 CA LEU A 40 5.467 1.279 -1.800 1.00 0.00 C ATOM 563 C LEU A 40 6.900 0.789 -1.849 1.00 0.00 C ATOM 564 O LEU A 40 7.824 1.569 -1.736 1.00 0.00 O ATOM 565 CB LEU A 40 5.249 2.054 -0.514 1.00 0.00 C ATOM 566 CG LEU A 40 3.851 2.619 -0.357 1.00 0.00 C ATOM 567 CD1 LEU A 40 3.157 1.979 0.820 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.915 4.124 -0.204 1.00 0.00 C ATOM 0 H LEU A 40 4.116 -0.122 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 40 5.293 1.933 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.461 1.400 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.967 2.873 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 40 3.271 2.392 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.154 2.394 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.090 0.903 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.725 2.177 1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.906 4.522 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.504 4.375 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.381 4.560 -1.088 1.00 0.00 H new ATOM 580 N GLN A 41 7.095 -0.498 -2.011 1.00 0.00 N ATOM 581 CA GLN A 41 8.445 -1.029 -2.079 1.00 0.00 C ATOM 582 C GLN A 41 8.731 -1.590 -3.472 1.00 0.00 C ATOM 583 O GLN A 41 9.886 -1.697 -3.882 1.00 0.00 O ATOM 584 CB GLN A 41 8.669 -2.096 -1.005 1.00 0.00 C ATOM 585 CG GLN A 41 8.963 -1.521 0.370 1.00 0.00 C ATOM 586 CD GLN A 41 10.441 -1.547 0.707 1.00 0.00 C ATOM 587 OE1 GLN A 41 11.217 -0.731 0.211 1.00 0.00 O ATOM 588 NE2 GLN A 41 10.837 -2.489 1.555 1.00 0.00 N ATOM 0 H GLN A 41 6.352 -1.192 -2.098 1.00 0.00 H new ATOM 0 HA GLN A 41 9.142 -0.213 -1.889 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.784 -2.729 -0.943 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.498 -2.736 -1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.601 -0.494 0.415 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.412 -2.086 1.122 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.158 -3.145 1.942 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.820 -2.557 1.819 1.00 0.00 H new ATOM 597 N ASP A 42 7.668 -1.919 -4.204 1.00 0.00 N ATOM 598 CA ASP A 42 7.802 -2.436 -5.559 1.00 0.00 C ATOM 599 C ASP A 42 7.778 -1.281 -6.553 1.00 0.00 C ATOM 600 O ASP A 42 8.397 -1.344 -7.616 1.00 0.00 O ATOM 601 CB ASP A 42 6.672 -3.420 -5.870 1.00 0.00 C ATOM 602 CG ASP A 42 7.036 -4.848 -5.514 1.00 0.00 C ATOM 603 OD1 ASP A 42 8.245 -5.159 -5.464 1.00 0.00 O ATOM 604 OD2 ASP A 42 6.111 -5.657 -5.285 1.00 0.00 O ATOM 0 H ASP A 42 6.705 -1.836 -3.879 1.00 0.00 H new ATOM 0 HA ASP A 42 8.752 -2.964 -5.643 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.778 -3.128 -5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.426 -3.364 -6.930 1.00 0.00 H new ATOM 609 N ASN A 43 7.064 -0.220 -6.185 1.00 0.00 N ATOM 610 CA ASN A 43 6.955 0.967 -7.023 1.00 0.00 C ATOM 611 C ASN A 43 7.941 2.052 -6.577 1.00 0.00 C ATOM 612 O ASN A 43 8.117 3.056 -7.266 1.00 0.00 O ATOM 613 CB ASN A 43 5.527 1.511 -6.987 1.00 0.00 C ATOM 614 CG ASN A 43 4.531 0.557 -7.621 1.00 0.00 C ATOM 615 OD1 ASN A 43 3.939 0.858 -8.657 1.00 0.00 O ATOM 616 ND2 ASN A 43 4.343 -0.602 -6.999 1.00 0.00 N ATOM 0 H ASN A 43 6.550 -0.160 -5.306 1.00 0.00 H new ATOM 0 HA ASN A 43 7.203 0.681 -8.045 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.238 1.700 -5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.492 2.468 -7.507 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.686 -1.284 -7.379 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.856 -0.810 -6.142 1.00 0.00 H new ATOM 623 N ASN A 44 8.590 1.833 -5.422 1.00 0.00 N ATOM 624 CA ASN A 44 9.578 2.770 -4.873 1.00 0.00 C ATOM 625 C ASN A 44 8.939 3.847 -3.999 1.00 0.00 C ATOM 626 O ASN A 44 9.469 4.954 -3.896 1.00 0.00 O ATOM 627 CB ASN A 44 10.408 3.428 -5.982 1.00 0.00 C ATOM 628 CG ASN A 44 11.665 4.086 -5.448 1.00 0.00 C ATOM 629 OD1 ASN A 44 11.635 5.231 -4.996 1.00 0.00 O ATOM 630 ND2 ASN A 44 12.779 3.365 -5.499 1.00 0.00 N ATOM 0 H ASN A 44 8.444 1.004 -4.846 1.00 0.00 H new ATOM 0 HA ASN A 44 10.239 2.174 -4.243 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.681 2.676 -6.723 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.800 4.174 -6.494 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.656 3.756 -5.155 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.758 2.420 -5.882 1.00 0.00 H new ATOM 637 N TRP A 45 7.821 3.525 -3.349 1.00 0.00 N ATOM 638 CA TRP A 45 7.161 4.480 -2.471 1.00 0.00 C ATOM 639 C TRP A 45 6.612 5.679 -3.238 1.00 0.00 C ATOM 640 O TRP A 45 6.898 6.826 -2.899 1.00 0.00 O ATOM 641 CB TRP A 45 8.133 4.944 -1.375 1.00 0.00 C ATOM 642 CG TRP A 45 8.655 3.806 -0.554 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.741 3.024 -0.834 1.00 0.00 C ATOM 644 CD2 TRP A 45 8.110 3.304 0.678 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.865 2.045 0.115 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.892 2.210 1.054 1.00 0.00 C ATOM 647 CE3 TRP A 45 7.034 3.658 1.500 1.00 0.00 C ATOM 648 CZ2 TRP A 45 8.635 1.477 2.194 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.783 2.929 2.630 1.00 0.00 C ATOM 650 CH2 TRP A 45 7.580 1.848 2.971 1.00 0.00 C ATOM 0 H TRP A 45 7.360 2.618 -3.415 1.00 0.00 H new ATOM 0 HA TRP A 45 6.311 3.975 -2.011 1.00 0.00 H new ATOM 0 HB2 TRP A 45 8.970 5.470 -1.835 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.628 5.657 -0.723 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.402 3.158 -1.677 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.572 1.310 0.118 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.407 4.500 1.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 9.253 0.633 2.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.952 3.200 3.265 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.361 1.290 3.869 1.00 0.00 H new ATOM 661 N ASP A 46 5.794 5.411 -4.253 1.00 0.00 N ATOM 662 CA ASP A 46 5.182 6.483 -5.025 1.00 0.00 C ATOM 663 C ASP A 46 4.080 7.104 -4.196 1.00 0.00 C ATOM 664 O ASP A 46 3.935 8.325 -4.127 1.00 0.00 O ATOM 665 CB ASP A 46 4.627 5.956 -6.350 1.00 0.00 C ATOM 666 CG ASP A 46 5.333 6.553 -7.551 1.00 0.00 C ATOM 667 OD1 ASP A 46 6.390 7.191 -7.361 1.00 0.00 O ATOM 668 OD2 ASP A 46 4.831 6.382 -8.682 1.00 0.00 O ATOM 0 H ASP A 46 5.543 4.470 -4.556 1.00 0.00 H new ATOM 0 HA ASP A 46 5.935 7.235 -5.263 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.726 4.871 -6.376 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.562 6.180 -6.410 1.00 0.00 H new ATOM 673 N TYR A 47 3.329 6.231 -3.536 1.00 0.00 N ATOM 674 CA TYR A 47 2.241 6.617 -2.650 1.00 0.00 C ATOM 675 C TYR A 47 0.916 6.786 -3.381 1.00 0.00 C ATOM 676 O TYR A 47 -0.151 6.671 -2.777 1.00 0.00 O ATOM 677 CB TYR A 47 2.565 7.895 -1.883 1.00 0.00 C ATOM 678 CG TYR A 47 1.644 8.111 -0.718 1.00 0.00 C ATOM 679 CD1 TYR A 47 0.392 8.669 -0.918 1.00 0.00 C ATOM 680 CD2 TYR A 47 2.009 7.740 0.574 1.00 0.00 C ATOM 681 CE1 TYR A 47 -0.476 8.863 0.130 1.00 0.00 C ATOM 682 CE2 TYR A 47 1.141 7.930 1.631 1.00 0.00 C ATOM 683 CZ TYR A 47 -0.101 8.493 1.403 1.00 0.00 C ATOM 684 OH TYR A 47 -0.966 8.692 2.451 1.00 0.00 O ATOM 0 H TYR A 47 3.461 5.222 -3.603 1.00 0.00 H new ATOM 0 HA TYR A 47 2.133 5.794 -1.944 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.594 7.851 -1.526 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.499 8.748 -2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.093 8.957 -1.915 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.979 7.300 0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.447 9.303 -0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.431 7.640 2.630 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.620 7.963 2.478 1.00 0.00 H new ATOM 694 N THR A 48 0.980 7.057 -4.671 1.00 0.00 N ATOM 695 CA THR A 48 -0.227 7.238 -5.462 1.00 0.00 C ATOM 696 C THR A 48 -0.388 6.083 -6.439 1.00 0.00 C ATOM 697 O THR A 48 -1.405 5.390 -6.441 1.00 0.00 O ATOM 698 CB THR A 48 -0.178 8.566 -6.220 1.00 0.00 C ATOM 699 OG1 THR A 48 1.016 9.268 -5.924 1.00 0.00 O ATOM 700 CG2 THR A 48 -1.340 9.481 -5.900 1.00 0.00 C ATOM 0 H THR A 48 1.850 7.157 -5.194 1.00 0.00 H new ATOM 0 HA THR A 48 -1.084 7.256 -4.789 1.00 0.00 H new ATOM 0 HB THR A 48 -0.228 8.298 -7.275 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.030 10.114 -6.419 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.244 10.405 -6.471 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.275 8.987 -6.164 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.339 9.711 -4.835 1.00 0.00 H new ATOM 708 N ARG A 49 0.637 5.873 -7.258 1.00 0.00 N ATOM 709 CA ARG A 49 0.628 4.790 -8.230 1.00 0.00 C ATOM 710 C ARG A 49 0.653 3.445 -7.516 1.00 0.00 C ATOM 711 O ARG A 49 0.160 2.444 -8.033 1.00 0.00 O ATOM 712 CB ARG A 49 1.834 4.907 -9.164 1.00 0.00 C ATOM 713 CG ARG A 49 1.797 3.933 -10.331 1.00 0.00 C ATOM 714 CD ARG A 49 2.737 2.760 -10.106 1.00 0.00 C ATOM 715 NE ARG A 49 3.020 2.040 -11.346 1.00 0.00 N ATOM 716 CZ ARG A 49 3.817 2.505 -12.301 1.00 0.00 C ATOM 717 NH1 ARG A 49 4.408 3.684 -12.160 1.00 0.00 N ATOM 718 NH2 ARG A 49 4.025 1.791 -13.400 1.00 0.00 N ATOM 0 H ARG A 49 1.485 6.440 -7.267 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.284 4.860 -8.822 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.885 5.924 -9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.745 4.739 -8.590 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.780 3.565 -10.467 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.074 4.452 -11.249 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.671 3.121 -9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.296 2.075 -9.382 1.00 0.00 H new ATOM 0 HE ARG A 49 2.581 1.130 -11.486 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.251 4.236 -11.317 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.020 4.039 -12.895 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.572 0.884 -13.512 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.637 2.149 -14.133 1.00 0.00 H new ATOM 732 N SER A 50 1.227 3.437 -6.316 1.00 0.00 N ATOM 733 CA SER A 50 1.315 2.225 -5.518 1.00 0.00 C ATOM 734 C SER A 50 -0.066 1.800 -5.043 1.00 0.00 C ATOM 735 O SER A 50 -0.549 0.725 -5.396 1.00 0.00 O ATOM 736 CB SER A 50 2.235 2.450 -4.318 1.00 0.00 C ATOM 737 OG SER A 50 3.567 2.076 -4.618 1.00 0.00 O ATOM 0 H SER A 50 1.638 4.261 -5.877 1.00 0.00 H new ATOM 0 HA SER A 50 1.730 1.431 -6.139 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.206 3.500 -4.026 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.875 1.872 -3.467 1.00 0.00 H new ATOM 0 HG SER A 50 3.589 1.134 -4.889 1.00 0.00 H new ATOM 743 N ALA A 51 -0.701 2.650 -4.244 1.00 0.00 N ATOM 744 CA ALA A 51 -2.030 2.353 -3.733 1.00 0.00 C ATOM 745 C ALA A 51 -3.034 2.212 -4.863 1.00 0.00 C ATOM 746 O ALA A 51 -4.065 1.573 -4.697 1.00 0.00 O ATOM 747 CB ALA A 51 -2.483 3.412 -2.744 1.00 0.00 C ATOM 0 H ALA A 51 -0.318 3.545 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.976 1.399 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.480 3.165 -2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.787 3.449 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.508 4.384 -3.237 1.00 0.00 H new ATOM 753 N GLN A 52 -2.725 2.789 -6.017 1.00 0.00 N ATOM 754 CA GLN A 52 -3.616 2.688 -7.162 1.00 0.00 C ATOM 755 C GLN A 52 -3.576 1.271 -7.713 1.00 0.00 C ATOM 756 O GLN A 52 -4.586 0.737 -8.171 1.00 0.00 O ATOM 757 CB GLN A 52 -3.224 3.693 -8.247 1.00 0.00 C ATOM 758 CG GLN A 52 -3.987 3.511 -9.550 1.00 0.00 C ATOM 759 CD GLN A 52 -4.555 4.814 -10.078 1.00 0.00 C ATOM 760 OE1 GLN A 52 -3.913 5.512 -10.863 1.00 0.00 O ATOM 761 NE2 GLN A 52 -5.768 5.148 -9.651 1.00 0.00 N ATOM 0 H GLN A 52 -1.874 3.326 -6.183 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.631 2.921 -6.840 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.395 4.703 -7.874 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.156 3.603 -8.445 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.323 3.078 -10.298 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.799 2.801 -9.395 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.265 4.540 -9.000 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.202 6.012 -9.974 1.00 0.00 H new ATOM 770 N ALA A 53 -2.400 0.660 -7.636 1.00 0.00 N ATOM 771 CA ALA A 53 -2.216 -0.707 -8.094 1.00 0.00 C ATOM 772 C ALA A 53 -2.700 -1.691 -7.034 1.00 0.00 C ATOM 773 O ALA A 53 -3.039 -2.834 -7.339 1.00 0.00 O ATOM 774 CB ALA A 53 -0.754 -0.959 -8.413 1.00 0.00 C ATOM 0 H ALA A 53 -1.558 1.094 -7.259 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.804 -0.853 -9.000 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.628 -1.986 -8.755 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.429 -0.273 -9.196 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.153 -0.799 -7.518 1.00 0.00 H new ATOM 780 N PHE A 54 -2.731 -1.232 -5.785 1.00 0.00 N ATOM 781 CA PHE A 54 -3.174 -2.056 -4.675 1.00 0.00 C ATOM 782 C PHE A 54 -4.686 -2.238 -4.731 1.00 0.00 C ATOM 783 O PHE A 54 -5.196 -3.327 -4.475 1.00 0.00 O ATOM 784 CB PHE A 54 -2.711 -1.422 -3.334 1.00 0.00 C ATOM 785 CG PHE A 54 -3.784 -1.210 -2.286 1.00 0.00 C ATOM 786 CD1 PHE A 54 -4.583 -2.262 -1.867 1.00 0.00 C ATOM 787 CD2 PHE A 54 -3.984 0.040 -1.720 1.00 0.00 C ATOM 788 CE1 PHE A 54 -5.558 -2.073 -0.914 1.00 0.00 C ATOM 789 CE2 PHE A 54 -4.957 0.233 -0.763 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.744 -0.825 -0.361 1.00 0.00 C ATOM 0 H PHE A 54 -2.452 -0.287 -5.521 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.724 -3.046 -4.746 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.935 -2.056 -2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.251 -0.458 -3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.439 -3.243 -2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.370 0.872 -2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.176 -2.901 -0.600 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.103 1.211 -0.329 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.507 -0.675 0.388 1.00 0.00 H new ATOM 800 N THR A 55 -5.403 -1.165 -5.044 1.00 0.00 N ATOM 801 CA THR A 55 -6.848 -1.244 -5.096 1.00 0.00 C ATOM 802 C THR A 55 -7.293 -2.162 -6.221 1.00 0.00 C ATOM 803 O THR A 55 -8.210 -2.965 -6.052 1.00 0.00 O ATOM 804 CB THR A 55 -7.489 0.133 -5.246 1.00 0.00 C ATOM 805 OG1 THR A 55 -7.688 0.456 -6.610 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.691 1.254 -4.617 1.00 0.00 C ATOM 0 H THR A 55 -5.012 -0.248 -5.261 1.00 0.00 H new ATOM 0 HA THR A 55 -7.185 -1.660 -4.147 1.00 0.00 H new ATOM 0 HB THR A 55 -8.439 0.054 -4.717 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.101 1.342 -6.679 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.212 2.200 -4.766 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.579 1.066 -3.549 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.706 1.305 -5.082 1.00 0.00 H new ATOM 814 N HIS A 56 -6.626 -2.060 -7.364 1.00 0.00 N ATOM 815 CA HIS A 56 -6.947 -2.909 -8.499 1.00 0.00 C ATOM 816 C HIS A 56 -6.875 -4.373 -8.083 1.00 0.00 C ATOM 817 O HIS A 56 -7.557 -5.229 -8.647 1.00 0.00 O ATOM 818 CB HIS A 56 -5.979 -2.647 -9.654 1.00 0.00 C ATOM 819 CG HIS A 56 -6.381 -3.309 -10.934 1.00 0.00 C ATOM 820 ND1 HIS A 56 -5.487 -3.820 -11.849 1.00 0.00 N ATOM 821 CD2 HIS A 56 -7.616 -3.542 -11.448 1.00 0.00 C ATOM 822 CE1 HIS A 56 -6.191 -4.335 -12.867 1.00 0.00 C ATOM 823 NE2 HIS A 56 -7.487 -4.193 -12.671 1.00 0.00 N ATOM 0 H HIS A 56 -5.864 -1.401 -7.527 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.958 -2.679 -8.834 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.905 -1.572 -9.818 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.986 -2.995 -9.371 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -8.550 -3.266 -10.982 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.753 -4.805 -13.735 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.240 -4.497 -13.288 1.00 0.00 H new ATOM 831 N LEU A 57 -6.040 -4.647 -7.082 1.00 0.00 N ATOM 832 CA LEU A 57 -5.866 -5.998 -6.570 1.00 0.00 C ATOM 833 C LEU A 57 -7.044 -6.406 -5.689 1.00 0.00 C ATOM 834 O LEU A 57 -7.633 -7.469 -5.885 1.00 0.00 O ATOM 835 CB LEU A 57 -4.560 -6.095 -5.781 1.00 0.00 C ATOM 836 CG LEU A 57 -4.280 -7.458 -5.149 1.00 0.00 C ATOM 837 CD1 LEU A 57 -3.717 -8.419 -6.183 1.00 0.00 C ATOM 838 CD2 LEU A 57 -3.323 -7.309 -3.978 1.00 0.00 C ATOM 0 H LEU A 57 -5.472 -3.944 -6.609 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.824 -6.682 -7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.733 -5.844 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.574 -5.343 -4.992 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.219 -7.869 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.524 -9.384 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.436 -8.545 -6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.787 -8.017 -6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.132 -8.287 -3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.384 -6.879 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.765 -6.653 -3.228 1.00 0.00 H new ATOM 850 N LYS A 58 -7.392 -5.560 -4.718 1.00 0.00 N ATOM 851 CA LYS A 58 -8.513 -5.860 -3.827 1.00 0.00 C ATOM 852 C LYS A 58 -9.858 -5.572 -4.500 1.00 0.00 C ATOM 853 O LYS A 58 -10.913 -5.756 -3.891 1.00 0.00 O ATOM 854 CB LYS A 58 -8.412 -5.079 -2.509 1.00 0.00 C ATOM 855 CG LYS A 58 -7.861 -3.668 -2.645 1.00 0.00 C ATOM 856 CD LYS A 58 -8.656 -2.680 -1.806 1.00 0.00 C ATOM 857 CE LYS A 58 -9.528 -1.788 -2.675 1.00 0.00 C ATOM 858 NZ LYS A 58 -9.668 -0.420 -2.102 1.00 0.00 N ATOM 0 H LYS A 58 -6.922 -4.675 -4.530 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.458 -6.925 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.403 -5.025 -2.058 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.778 -5.637 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.816 -3.652 -2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.888 -3.364 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.281 -3.223 -1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.972 -2.064 -1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.097 -1.721 -3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.514 -2.239 -2.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.568 -0.003 -2.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.655 -0.476 -1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.879 0.175 -2.427 1.00 0.00 H new ATOM 872 N ALA A 59 -9.823 -5.133 -5.757 1.00 0.00 N ATOM 873 CA ALA A 59 -11.043 -4.839 -6.497 1.00 0.00 C ATOM 874 C ALA A 59 -11.248 -5.847 -7.624 1.00 0.00 C ATOM 875 O ALA A 59 -12.373 -6.085 -8.062 1.00 0.00 O ATOM 876 CB ALA A 59 -10.997 -3.423 -7.053 1.00 0.00 C ATOM 0 H ALA A 59 -8.963 -4.974 -6.281 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.887 -4.917 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.915 -3.218 -7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.900 -2.713 -6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.143 -3.323 -7.723 1.00 0.00 H new ATOM 882 N LYS A 60 -10.149 -6.438 -8.087 1.00 0.00 N ATOM 883 CA LYS A 60 -10.200 -7.423 -9.161 1.00 0.00 C ATOM 884 C LYS A 60 -9.284 -8.605 -8.856 1.00 0.00 C ATOM 885 O LYS A 60 -9.665 -9.761 -9.036 1.00 0.00 O ATOM 886 CB LYS A 60 -9.798 -6.781 -10.489 1.00 0.00 C ATOM 887 CG LYS A 60 -10.509 -7.377 -11.693 1.00 0.00 C ATOM 888 CD LYS A 60 -10.248 -8.869 -11.812 1.00 0.00 C ATOM 889 CE LYS A 60 -10.053 -9.287 -13.261 1.00 0.00 C ATOM 890 NZ LYS A 60 -9.400 -10.621 -13.371 1.00 0.00 N ATOM 0 H LYS A 60 -9.211 -6.250 -7.733 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.224 -7.789 -9.238 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.009 -5.713 -10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.722 -6.888 -10.624 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.581 -7.200 -11.608 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.174 -6.874 -12.600 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.362 -9.132 -11.234 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.084 -9.421 -11.382 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.019 -9.313 -13.764 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.446 -8.542 -13.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.285 -10.870 -14.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.467 -10.590 -12.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.992 -11.337 -12.903 1.00 0.00 H new ATOM 904 N GLY A 61 -8.075 -8.304 -8.392 1.00 0.00 N ATOM 905 CA GLY A 61 -7.121 -9.348 -8.068 1.00 0.00 C ATOM 906 C GLY A 61 -7.499 -10.112 -6.815 1.00 0.00 C ATOM 907 O GLY A 61 -8.483 -10.852 -6.805 1.00 0.00 O ATOM 0 H GLY A 61 -7.739 -7.354 -8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.049 -10.042 -8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.134 -8.905 -7.936 1.00 0.00 H new ATOM 911 N GLU A 62 -6.715 -9.936 -5.755 1.00 0.00 N ATOM 912 CA GLU A 62 -6.977 -10.619 -4.492 1.00 0.00 C ATOM 913 C GLU A 62 -6.200 -9.978 -3.345 1.00 0.00 C ATOM 914 O GLU A 62 -5.029 -9.629 -3.489 1.00 0.00 O ATOM 915 CB GLU A 62 -6.609 -12.100 -4.606 1.00 0.00 C ATOM 916 CG GLU A 62 -7.328 -12.984 -3.600 1.00 0.00 C ATOM 917 CD GLU A 62 -6.555 -14.248 -3.279 1.00 0.00 C ATOM 918 OE1 GLU A 62 -5.395 -14.366 -3.727 1.00 0.00 O ATOM 919 OE2 GLU A 62 -7.110 -15.122 -2.580 1.00 0.00 O ATOM 0 H GLU A 62 -5.896 -9.328 -5.745 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.041 -10.527 -4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.841 -12.447 -5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.533 -12.210 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.495 -12.421 -2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.309 -13.252 -3.993 1.00 0.00 H new ATOM 926 N ILE A 63 -6.865 -9.836 -2.201 1.00 0.00 N ATOM 927 CA ILE A 63 -6.251 -9.249 -1.018 1.00 0.00 C ATOM 928 C ILE A 63 -6.865 -9.846 0.244 1.00 0.00 C ATOM 929 O ILE A 63 -8.065 -9.704 0.479 1.00 0.00 O ATOM 930 CB ILE A 63 -6.420 -7.701 -0.997 1.00 0.00 C ATOM 931 CG1 ILE A 63 -5.440 -7.060 -1.984 1.00 0.00 C ATOM 932 CG2 ILE A 63 -6.224 -7.120 0.412 1.00 0.00 C ATOM 933 CD1 ILE A 63 -5.349 -5.551 -1.874 1.00 0.00 C ATOM 0 H ILE A 63 -7.835 -10.122 -2.070 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.186 -9.477 -1.051 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.442 -7.471 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.449 -7.486 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.739 -7.322 -2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.351 -6.038 0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.961 -7.552 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.221 -7.358 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.634 -5.175 -2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.329 -5.113 -2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.018 -5.279 -0.872 1.00 0.00 H new ATOM 945 N PRO A 64 -6.055 -10.490 1.095 1.00 0.00 N ATOM 946 CA PRO A 64 -6.555 -11.054 2.342 1.00 0.00 C ATOM 947 C PRO A 64 -7.227 -9.970 3.168 1.00 0.00 C ATOM 948 O PRO A 64 -6.741 -8.842 3.234 1.00 0.00 O ATOM 949 CB PRO A 64 -5.290 -11.575 3.031 1.00 0.00 C ATOM 950 CG PRO A 64 -4.326 -11.791 1.921 1.00 0.00 C ATOM 951 CD PRO A 64 -4.604 -10.689 0.944 1.00 0.00 C ATOM 0 HA PRO A 64 -7.302 -11.835 2.201 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.907 -10.856 3.755 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.485 -12.500 3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.297 -11.751 2.279 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.466 -12.770 1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.043 -9.785 1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.337 -10.972 -0.074 1.00 0.00 H new ATOM 959 N GLU A 65 -8.355 -10.298 3.773 1.00 0.00 N ATOM 960 CA GLU A 65 -9.096 -9.330 4.570 1.00 0.00 C ATOM 961 C GLU A 65 -8.196 -8.668 5.605 1.00 0.00 C ATOM 962 O GLU A 65 -8.278 -7.460 5.822 1.00 0.00 O ATOM 963 CB GLU A 65 -10.278 -9.996 5.255 1.00 0.00 C ATOM 964 CG GLU A 65 -11.010 -11.003 4.380 1.00 0.00 C ATOM 965 CD GLU A 65 -12.387 -11.344 4.913 1.00 0.00 C ATOM 966 OE1 GLU A 65 -12.524 -11.507 6.144 1.00 0.00 O ATOM 967 OE2 GLU A 65 -13.331 -11.447 4.100 1.00 0.00 O ATOM 0 H GLU A 65 -8.779 -11.225 3.729 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.468 -8.558 3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.927 -10.499 6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.982 -9.227 5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.104 -10.602 3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.417 -11.914 4.307 1.00 0.00 H new ATOM 974 N VAL A 66 -7.335 -9.471 6.238 1.00 0.00 N ATOM 975 CA VAL A 66 -6.392 -8.983 7.257 1.00 0.00 C ATOM 976 C VAL A 66 -5.883 -7.577 6.908 1.00 0.00 C ATOM 977 O VAL A 66 -5.766 -6.715 7.778 1.00 0.00 O ATOM 978 CB VAL A 66 -5.198 -9.971 7.428 1.00 0.00 C ATOM 979 CG1 VAL A 66 -4.810 -10.586 6.096 1.00 0.00 C ATOM 980 CG2 VAL A 66 -3.977 -9.311 8.059 1.00 0.00 C ATOM 0 H VAL A 66 -7.270 -10.474 6.062 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.926 -8.925 8.205 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.542 -10.752 8.106 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.975 -11.271 6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.660 -11.131 5.686 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.516 -9.798 5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.176 -10.044 8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.642 -8.487 7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.239 -8.929 9.046 1.00 0.00 H new ATOM 990 N ALA A 67 -5.605 -7.358 5.627 1.00 0.00 N ATOM 991 CA ALA A 67 -5.134 -6.063 5.151 1.00 0.00 C ATOM 992 C ALA A 67 -6.014 -4.942 5.691 1.00 0.00 C ATOM 993 O ALA A 67 -5.556 -4.079 6.440 1.00 0.00 O ATOM 994 CB ALA A 67 -5.125 -6.038 3.631 1.00 0.00 C ATOM 0 H ALA A 67 -5.698 -8.064 4.897 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.118 -5.908 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.772 -5.067 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.462 -6.819 3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.135 -6.211 3.258 1.00 0.00 H new ATOM 1000 N PHE A 68 -7.289 -4.980 5.319 1.00 0.00 N ATOM 1001 CA PHE A 68 -8.255 -3.987 5.774 1.00 0.00 C ATOM 1002 C PHE A 68 -8.880 -4.448 7.085 1.00 0.00 C ATOM 1003 O PHE A 68 -10.100 -4.570 7.193 1.00 0.00 O ATOM 1004 CB PHE A 68 -9.352 -3.777 4.725 1.00 0.00 C ATOM 1005 CG PHE A 68 -8.889 -3.946 3.319 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.873 -5.194 2.730 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -8.480 -2.854 2.587 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.451 -5.349 1.431 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.057 -2.998 1.288 1.00 0.00 C ATOM 1010 CZ PHE A 68 -8.041 -4.248 0.705 1.00 0.00 C ATOM 0 H PHE A 68 -7.679 -5.691 4.701 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.737 -3.040 5.926 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -10.162 -4.480 4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.765 -2.775 4.842 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -9.195 -6.056 3.295 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.492 -1.873 3.039 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.440 -6.330 0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.738 -2.134 0.724 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.709 -4.365 -0.316 1.00 0.00 H new ATOM 1020 N MET A 69 -8.032 -4.728 8.071 1.00 0.00 N ATOM 1021 CA MET A 69 -8.502 -5.205 9.366 1.00 0.00 C ATOM 1022 C MET A 69 -8.991 -6.643 9.230 1.00 0.00 C ATOM 1023 O MET A 69 -8.563 -7.362 8.327 1.00 0.00 O ATOM 1024 CB MET A 69 -9.622 -4.305 9.896 1.00 0.00 C ATOM 1025 CG MET A 69 -9.383 -2.824 9.647 1.00 0.00 C ATOM 1026 SD MET A 69 -9.510 -1.837 11.151 1.00 0.00 S ATOM 1027 CE MET A 69 -10.510 -0.467 10.573 1.00 0.00 C ATOM 0 H MET A 69 -7.019 -4.633 7.997 1.00 0.00 H new ATOM 0 HA MET A 69 -7.678 -5.173 10.079 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.563 -4.596 9.428 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.734 -4.471 10.967 1.00 0.00 H new ATOM 0 HG2 MET A 69 -8.394 -2.688 9.210 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.106 -2.461 8.917 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.677 0.233 11.392 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.994 0.043 9.759 1.00 0.00 H new ATOM 0 HE3 MET A 69 -11.469 -0.842 10.216 1.00 0.00 H new ATOM 1037 N LYS A 70 -9.892 -7.067 10.112 1.00 0.00 N ATOM 1038 CA LYS A 70 -10.426 -8.425 10.051 1.00 0.00 C ATOM 1039 C LYS A 70 -9.381 -9.441 10.497 1.00 0.00 C ATOM 1040 O LYS A 70 -8.358 -9.021 11.077 1.00 0.00 O ATOM 1041 CB LYS A 70 -10.899 -8.750 8.627 1.00 0.00 C ATOM 1042 CG LYS A 70 -11.412 -7.536 7.862 1.00 0.00 C ATOM 1043 CD LYS A 70 -12.510 -7.905 6.879 1.00 0.00 C ATOM 1044 CE LYS A 70 -12.312 -7.207 5.542 1.00 0.00 C ATOM 1045 NZ LYS A 70 -13.204 -6.023 5.395 1.00 0.00 N ATOM 1046 OXT LYS A 70 -9.593 -10.650 10.263 1.00 0.00 O ATOM 0 H LYS A 70 -10.265 -6.496 10.871 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.277 -8.484 10.730 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.074 -9.196 8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.690 -9.498 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.791 -6.796 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.586 -7.070 7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.520 -8.985 6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.480 -7.632 7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.273 -6.892 5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.507 -7.911 4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.038 -5.576 4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.197 -6.326 5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.001 -5.339 6.152 1.00 0.00 H new