USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 600 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 74 THR OG1 : rot 180:sc= -0.0853 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 62 THR OG1 : rot 141:sc= 0.843 USER MOD Set 2.2: A 66 GLN : amide:sc= 1.11 K(o=2,f=-0.11) USER MOD Set 3.1: A 24 GLN :FLIP amide:sc= -0.0665 F(o=-0.94,f=-0.14) USER MOD Set 3.2: A 53 ASN : amide:sc= -0.0739 K(o=-0.14,f=-1.9) USER MOD Set 4.1: A 19 HIS :FLIP no HE2:sc= -9.68! C(o=-15!,f=-14!) USER MOD Set 4.2: A 21 MET CE :methyl -116:sc= -3.07 (180deg=0) USER MOD Set 4.3: A 87 HIS : no HD1:sc= -1.15 K(o=-14,f=-18!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0642 X(o=-0.064,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.4) USER MOD Single : A 35 GLN : amide:sc= -0.66 K(o=-0.66,f=-4.2!) USER MOD Single : A 44 SER OG : rot -170:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0583 X(o=-0.058,f=-0.25) USER MOD Single : A 46 HIS : no HE2:sc= -3.59! C(o=-3.6!,f=-5.2!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 178:sc= -1.93 (180deg=-2.01) USER MOD Single : A 61 THR OG1 : rot 180:sc=-0.00637 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 205 N ARG A 16 -4.773 9.585 -3.225 1.00 0.00 N ATOM 206 CA ARG A 16 -4.400 8.186 -3.394 1.00 0.00 C ATOM 207 C ARG A 16 -3.274 7.804 -2.438 1.00 0.00 C ATOM 208 O ARG A 16 -2.120 8.186 -2.636 1.00 0.00 O ATOM 209 CB ARG A 16 -3.968 7.921 -4.838 1.00 0.00 C ATOM 210 CG ARG A 16 -4.761 8.713 -5.865 1.00 0.00 C ATOM 211 CD ARG A 16 -4.255 10.143 -5.977 1.00 0.00 C ATOM 212 NE ARG A 16 -5.341 11.090 -6.215 1.00 0.00 N ATOM 213 CZ ARG A 16 -5.157 12.399 -6.356 1.00 0.00 C ATOM 214 NH1 ARG A 16 -3.937 12.910 -6.285 1.00 0.00 N ATOM 215 NH2 ARG A 16 -6.196 13.196 -6.569 1.00 0.00 N ATOM 0 HA ARG A 16 -5.272 7.574 -3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.910 8.163 -4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.074 6.857 -5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.691 8.224 -6.837 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.815 8.719 -5.587 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.731 10.415 -5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.532 10.209 -6.790 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.292 10.727 -6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.137 12.299 -6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.798 13.915 -6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.136 12.804 -6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.055 14.200 -6.677 1.00 0.00 H new ATOM 229 N VAL A 17 -3.617 7.048 -1.399 1.00 0.00 N ATOM 230 CA VAL A 17 -2.635 6.614 -0.412 1.00 0.00 C ATOM 231 C VAL A 17 -2.900 5.180 0.032 1.00 0.00 C ATOM 232 O VAL A 17 -3.798 4.921 0.832 1.00 0.00 O ATOM 233 CB VAL A 17 -2.640 7.532 0.824 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.707 6.988 1.897 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.250 8.950 0.437 1.00 0.00 C ATOM 0 H VAL A 17 -4.567 6.724 -1.219 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.658 6.668 -0.892 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.650 7.556 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.723 7.650 2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.036 5.992 2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.692 6.932 1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.259 9.585 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.250 8.947 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.961 9.336 -0.293 1.00 0.00 H new ATOM 245 N VAL A 18 -2.110 4.249 -0.493 1.00 0.00 N ATOM 246 CA VAL A 18 -2.257 2.839 -0.150 1.00 0.00 C ATOM 247 C VAL A 18 -1.336 2.455 1.003 1.00 0.00 C ATOM 248 O VAL A 18 -0.128 2.304 0.823 1.00 0.00 O ATOM 249 CB VAL A 18 -1.954 1.932 -1.358 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.777 2.478 -2.153 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.684 0.508 -0.899 1.00 0.00 C ATOM 0 H VAL A 18 -1.362 4.445 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.294 2.694 0.153 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.827 1.919 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.577 1.825 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.014 3.479 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.105 2.522 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.472 -0.119 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.827 0.499 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.559 0.122 -0.377 1.00 0.00 H new ATOM 261 N HIS A 19 -1.916 2.297 2.189 1.00 0.00 N ATOM 262 CA HIS A 19 -1.147 1.930 3.373 1.00 0.00 C ATOM 263 C HIS A 19 -0.938 0.420 3.437 1.00 0.00 C ATOM 264 O HIS A 19 -1.864 -0.355 3.198 1.00 0.00 O ATOM 265 CB HIS A 19 -1.857 2.412 4.637 1.00 0.00 C ATOM 266 CG HIS A 19 -1.196 1.963 5.905 1.00 0.00 C ATOM 267 ND1 HIS A 19 0.103 1.699 6.180 1.00 0.00 N flip ATOM 268 CD2 HIS A 19 -1.889 1.732 7.074 1.00 0.00 C flip ATOM 269 CE1 HIS A 19 0.170 1.319 7.498 1.00 0.00 C flip ATOM 270 NE2 HIS A 19 -1.045 1.348 8.016 1.00 0.00 N flip ATOM 0 H HIS A 19 -2.915 2.417 2.355 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.172 2.412 3.307 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.901 3.501 4.626 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.886 2.051 4.626 1.00 0.00 H new ATOM 0 HD1 HIS A 19 0.886 1.769 5.530 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.955 1.847 7.200 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.070 1.041 8.026 1.00 0.00 H new ATOM 278 N ILE A 20 0.284 0.010 3.760 1.00 0.00 N ATOM 279 CA ILE A 20 0.614 -1.406 3.855 1.00 0.00 C ATOM 280 C ILE A 20 1.373 -1.708 5.143 1.00 0.00 C ATOM 281 O ILE A 20 2.330 -1.015 5.488 1.00 0.00 O ATOM 282 CB ILE A 20 1.459 -1.870 2.654 1.00 0.00 C ATOM 283 CG1 ILE A 20 0.816 -1.411 1.343 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.617 -3.383 2.670 1.00 0.00 C ATOM 285 CD1 ILE A 20 1.814 -0.899 0.328 1.00 0.00 C ATOM 0 H ILE A 20 1.062 0.639 3.960 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.330 -1.950 3.856 1.00 0.00 H new ATOM 0 HB ILE A 20 2.449 -1.420 2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.262 -2.243 0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.093 -0.625 1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.217 -3.695 1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.113 -3.687 3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.635 -3.852 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.288 -0.591 -0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.351 -0.046 0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.523 -1.690 0.084 1.00 0.00 H new ATOM 297 N MET A 21 0.942 -2.749 5.848 1.00 0.00 N ATOM 298 CA MET A 21 1.583 -3.145 7.095 1.00 0.00 C ATOM 299 C MET A 21 1.863 -4.644 7.111 1.00 0.00 C ATOM 300 O MET A 21 1.377 -5.385 6.257 1.00 0.00 O ATOM 301 CB MET A 21 0.703 -2.766 8.288 1.00 0.00 C ATOM 302 CG MET A 21 -0.059 -1.466 8.093 1.00 0.00 C ATOM 303 SD MET A 21 -1.847 -1.700 8.106 1.00 0.00 S ATOM 304 CE MET A 21 -2.243 -1.375 6.390 1.00 0.00 C ATOM 0 H MET A 21 0.151 -3.333 5.576 1.00 0.00 H new ATOM 0 HA MET A 21 2.533 -2.616 7.170 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.009 -3.570 8.474 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.328 -2.681 9.177 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.218 -0.766 8.881 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.237 -1.014 7.146 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.875 -0.489 6.324 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.323 -1.207 5.830 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.773 -2.230 5.970 1.00 0.00 H new ATOM 314 N ASP A 22 2.650 -5.084 8.086 1.00 0.00 N ATOM 315 CA ASP A 22 2.995 -6.496 8.214 1.00 0.00 C ATOM 316 C ASP A 22 4.031 -6.898 7.169 1.00 0.00 C ATOM 317 O ASP A 22 4.494 -8.039 7.146 1.00 0.00 O ATOM 318 CB ASP A 22 1.743 -7.363 8.069 1.00 0.00 C ATOM 319 CG ASP A 22 1.889 -8.708 8.752 1.00 0.00 C ATOM 320 OD1 ASP A 22 2.354 -9.661 8.092 1.00 0.00 O ATOM 321 OD2 ASP A 22 1.537 -8.809 9.946 1.00 0.00 O ATOM 0 H ASP A 22 3.062 -4.483 8.800 1.00 0.00 H new ATOM 0 HA ASP A 22 3.424 -6.653 9.204 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.888 -6.835 8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.532 -7.517 7.011 1.00 0.00 H new ATOM 326 N PHE A 23 4.392 -5.954 6.306 1.00 0.00 N ATOM 327 CA PHE A 23 5.371 -6.210 5.257 1.00 0.00 C ATOM 328 C PHE A 23 6.793 -6.114 5.806 1.00 0.00 C ATOM 329 O PHE A 23 7.102 -5.228 6.602 1.00 0.00 O ATOM 330 CB PHE A 23 5.189 -5.219 4.106 1.00 0.00 C ATOM 331 CG PHE A 23 5.657 -3.830 4.430 1.00 0.00 C ATOM 332 CD1 PHE A 23 6.970 -3.455 4.194 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.786 -2.899 4.973 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.405 -2.177 4.491 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.216 -1.620 5.271 1.00 0.00 C ATOM 336 CZ PHE A 23 6.526 -1.258 5.031 1.00 0.00 C ATOM 0 H PHE A 23 4.021 -5.004 6.313 1.00 0.00 H new ATOM 0 HA PHE A 23 5.211 -7.222 4.884 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.733 -5.583 3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.135 -5.184 3.831 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.662 -4.170 3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.760 -3.176 5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.431 -1.897 4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.527 -0.903 5.692 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.863 -0.259 5.265 1.00 0.00 H new ATOM 346 N GLN A 24 7.651 -7.031 5.373 1.00 0.00 N ATOM 347 CA GLN A 24 9.038 -7.051 5.821 1.00 0.00 C ATOM 348 C GLN A 24 9.943 -6.337 4.822 1.00 0.00 C ATOM 349 O GLN A 24 9.468 -5.735 3.860 1.00 0.00 O ATOM 350 CB GLN A 24 9.513 -8.491 6.019 1.00 0.00 C ATOM 351 CG GLN A 24 8.764 -9.234 7.114 1.00 0.00 C ATOM 352 CD GLN A 24 8.980 -8.624 8.485 1.00 0.00 C ATOM 353 OE1 GLN A 24 7.888 -8.301 9.168 1.00 0.00 O flip ATOM 354 NE2 GLN A 24 10.116 -8.445 8.925 1.00 0.00 N flip ATOM 0 H GLN A 24 7.410 -7.770 4.712 1.00 0.00 H new ATOM 0 HA GLN A 24 9.092 -6.525 6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.401 -9.034 5.081 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.576 -8.484 6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.698 -9.234 6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.087 -10.275 7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.927 -8.708 8.365 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.246 -8.033 9.849 1.00 0.00 H new ATOM 363 N ARG A 25 11.250 -6.409 5.059 1.00 0.00 N ATOM 364 CA ARG A 25 12.220 -5.768 4.180 1.00 0.00 C ATOM 365 C ARG A 25 13.237 -6.781 3.663 1.00 0.00 C ATOM 366 O ARG A 25 13.363 -7.880 4.201 1.00 0.00 O ATOM 367 CB ARG A 25 12.941 -4.639 4.919 1.00 0.00 C ATOM 368 CG ARG A 25 12.000 -3.614 5.530 1.00 0.00 C ATOM 369 CD ARG A 25 12.538 -2.200 5.371 1.00 0.00 C ATOM 370 NE ARG A 25 13.131 -1.698 6.608 1.00 0.00 N ATOM 371 CZ ARG A 25 14.357 -2.011 7.014 1.00 0.00 C ATOM 372 NH1 ARG A 25 15.115 -2.819 6.286 1.00 0.00 N ATOM 373 NH2 ARG A 25 14.827 -1.514 8.151 1.00 0.00 N ATOM 0 H ARG A 25 11.660 -6.904 5.851 1.00 0.00 H new ATOM 0 HA ARG A 25 11.682 -5.351 3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.559 -5.069 5.708 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.614 -4.134 4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.022 -3.688 5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.858 -3.834 6.588 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.285 -2.184 4.578 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.730 -1.537 5.061 1.00 0.00 H new ATOM 0 HE ARG A 25 12.574 -1.074 7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.758 -3.203 5.411 1.00 0.00 H new ATOM 0 HH12 ARG A 25 16.056 -3.057 6.601 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.247 -0.891 8.714 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.768 -1.755 8.462 1.00 0.00 H new ATOM 387 N GLY A 26 13.959 -6.404 2.612 1.00 0.00 N ATOM 388 CA GLY A 26 14.955 -7.291 2.039 1.00 0.00 C ATOM 389 C GLY A 26 15.775 -6.619 0.955 1.00 0.00 C ATOM 390 O GLY A 26 15.946 -7.166 -0.134 1.00 0.00 O ATOM 0 H GLY A 26 13.872 -5.500 2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.620 -7.643 2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.460 -8.169 1.624 1.00 0.00 H new ATOM 394 N LYS A 27 16.284 -5.428 1.254 1.00 0.00 N ATOM 395 CA LYS A 27 17.091 -4.679 0.297 1.00 0.00 C ATOM 396 C LYS A 27 16.225 -4.131 -0.833 1.00 0.00 C ATOM 397 O LYS A 27 15.996 -2.927 -0.923 1.00 0.00 O ATOM 398 CB LYS A 27 18.195 -5.569 -0.276 1.00 0.00 C ATOM 399 CG LYS A 27 19.321 -4.791 -0.938 1.00 0.00 C ATOM 400 CD LYS A 27 20.432 -5.713 -1.410 1.00 0.00 C ATOM 401 CE LYS A 27 21.799 -5.205 -0.978 1.00 0.00 C ATOM 402 NZ LYS A 27 22.230 -5.803 0.315 1.00 0.00 N ATOM 0 H LYS A 27 16.152 -4.961 2.151 1.00 0.00 H new ATOM 0 HA LYS A 27 17.546 -3.839 0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.609 -6.181 0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.758 -6.251 -1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.928 -4.230 -1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.725 -4.063 -0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 27 20.271 -6.714 -1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 27 20.400 -5.796 -2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 27 22.533 -5.439 -1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 27 21.770 -4.119 -0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 23.166 -5.431 0.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 21.543 -5.559 1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 22.283 -6.837 0.219 1.00 0.00 H new ATOM 416 N ASN A 28 15.748 -5.026 -1.693 1.00 0.00 N ATOM 417 CA ASN A 28 14.907 -4.632 -2.817 1.00 0.00 C ATOM 418 C ASN A 28 13.436 -4.609 -2.415 1.00 0.00 C ATOM 419 O ASN A 28 12.553 -4.872 -3.232 1.00 0.00 O ATOM 420 CB ASN A 28 15.112 -5.589 -3.993 1.00 0.00 C ATOM 421 CG ASN A 28 16.553 -5.631 -4.462 1.00 0.00 C ATOM 422 OD1 ASN A 28 17.158 -6.699 -4.550 1.00 0.00 O ATOM 423 ND2 ASN A 28 17.110 -4.464 -4.765 1.00 0.00 N ATOM 0 H ASN A 28 15.930 -6.028 -1.633 1.00 0.00 H new ATOM 0 HA ASN A 28 15.197 -3.626 -3.121 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.799 -6.591 -3.701 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.472 -5.284 -4.821 1.00 0.00 H new ATOM 0 HD21 ASN A 28 18.078 -4.429 -5.086 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.570 -3.603 -4.677 1.00 0.00 H new ATOM 430 N LEU A 29 13.179 -4.294 -1.150 1.00 0.00 N ATOM 431 CA LEU A 29 11.814 -4.235 -0.638 1.00 0.00 C ATOM 432 C LEU A 29 11.001 -3.174 -1.373 1.00 0.00 C ATOM 433 O LEU A 29 9.933 -3.461 -1.914 1.00 0.00 O ATOM 434 CB LEU A 29 11.823 -3.938 0.863 1.00 0.00 C ATOM 435 CG LEU A 29 10.456 -3.729 1.513 1.00 0.00 C ATOM 436 CD1 LEU A 29 9.995 -2.291 1.336 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.434 -4.694 0.931 1.00 0.00 C ATOM 0 H LEU A 29 13.898 -4.076 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 29 11.347 -5.205 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.324 -4.761 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.424 -3.045 1.033 1.00 0.00 H new ATOM 0 HG LEU A 29 10.549 -3.931 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.020 -2.161 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.715 -1.618 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.920 -2.061 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.467 -4.530 1.406 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.344 -4.525 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.758 -5.719 1.111 1.00 0.00 H new ATOM 449 N ARG A 30 11.515 -1.949 -1.388 1.00 0.00 N ATOM 450 CA ARG A 30 10.838 -0.845 -2.058 1.00 0.00 C ATOM 451 C ARG A 30 10.211 -1.307 -3.370 1.00 0.00 C ATOM 452 O ARG A 30 9.168 -0.801 -3.784 1.00 0.00 O ATOM 453 CB ARG A 30 11.819 0.299 -2.323 1.00 0.00 C ATOM 454 CG ARG A 30 11.239 1.411 -3.181 1.00 0.00 C ATOM 455 CD ARG A 30 12.247 1.906 -4.207 1.00 0.00 C ATOM 456 NE ARG A 30 12.700 0.836 -5.091 1.00 0.00 N ATOM 457 CZ ARG A 30 13.371 1.047 -6.217 1.00 0.00 C ATOM 458 NH1 ARG A 30 13.666 2.283 -6.595 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.747 0.020 -6.969 1.00 0.00 N ATOM 0 H ARG A 30 12.398 -1.696 -0.944 1.00 0.00 H new ATOM 0 HA ARG A 30 10.044 -0.488 -1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.142 0.718 -1.370 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.707 -0.101 -2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.346 1.050 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.929 2.240 -2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.798 2.701 -4.802 1.00 0.00 H new ATOM 0 HD3 ARG A 30 13.105 2.338 -3.692 1.00 0.00 H new ATOM 0 HE ARG A 30 12.489 -0.127 -4.829 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.377 3.075 -6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.182 2.442 -7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.520 -0.932 -6.682 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.262 0.183 -7.834 1.00 0.00 H new ATOM 473 N TYR A 31 10.854 -2.270 -4.020 1.00 0.00 N ATOM 474 CA TYR A 31 10.363 -2.798 -5.287 1.00 0.00 C ATOM 475 C TYR A 31 9.195 -3.754 -5.062 1.00 0.00 C ATOM 476 O TYR A 31 8.230 -3.761 -5.824 1.00 0.00 O ATOM 477 CB TYR A 31 11.487 -3.515 -6.036 1.00 0.00 C ATOM 478 CG TYR A 31 10.995 -4.452 -7.115 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.635 -5.760 -6.816 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.890 -4.030 -8.435 1.00 0.00 C ATOM 481 CE1 TYR A 31 10.186 -6.621 -7.799 1.00 0.00 C ATOM 482 CE2 TYR A 31 10.440 -4.883 -9.424 1.00 0.00 C ATOM 483 CZ TYR A 31 10.088 -6.177 -9.101 1.00 0.00 C ATOM 484 OH TYR A 31 9.641 -7.030 -10.084 1.00 0.00 O ATOM 0 H TYR A 31 11.717 -2.701 -3.690 1.00 0.00 H new ATOM 0 HA TYR A 31 10.013 -1.960 -5.889 1.00 0.00 H new ATOM 0 HB2 TYR A 31 12.145 -2.771 -6.485 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.086 -4.080 -5.321 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.707 -6.110 -5.797 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.165 -3.018 -8.692 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.913 -7.636 -7.549 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.364 -4.539 -10.445 1.00 0.00 H new ATOM 0 HH TYR A 31 9.630 -6.561 -10.944 1.00 0.00 H new ATOM 494 N GLN A 32 9.294 -4.560 -4.009 1.00 0.00 N ATOM 495 CA GLN A 32 8.246 -5.521 -3.683 1.00 0.00 C ATOM 496 C GLN A 32 6.941 -4.809 -3.345 1.00 0.00 C ATOM 497 O GLN A 32 5.856 -5.364 -3.522 1.00 0.00 O ATOM 498 CB GLN A 32 8.681 -6.402 -2.511 1.00 0.00 C ATOM 499 CG GLN A 32 10.037 -7.059 -2.711 1.00 0.00 C ATOM 500 CD GLN A 32 9.942 -8.566 -2.834 1.00 0.00 C ATOM 501 OE1 GLN A 32 9.183 -9.213 -2.113 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.714 -9.136 -3.753 1.00 0.00 N ATOM 0 H GLN A 32 10.088 -4.567 -3.368 1.00 0.00 H new ATOM 0 HA GLN A 32 8.078 -6.150 -4.557 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.710 -5.797 -1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.931 -7.177 -2.353 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.504 -6.654 -3.609 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.686 -6.807 -1.872 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.329 -8.562 -4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.692 -10.148 -3.882 1.00 0.00 H new ATOM 511 N LEU A 33 7.053 -3.578 -2.857 1.00 0.00 N ATOM 512 CA LEU A 33 5.881 -2.791 -2.493 1.00 0.00 C ATOM 513 C LEU A 33 5.331 -2.042 -3.704 1.00 0.00 C ATOM 514 O LEU A 33 4.116 -1.941 -3.884 1.00 0.00 O ATOM 515 CB LEU A 33 6.234 -1.799 -1.383 1.00 0.00 C ATOM 516 CG LEU A 33 6.502 -2.403 -0.004 1.00 0.00 C ATOM 517 CD1 LEU A 33 6.924 -1.322 0.979 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.271 -3.138 0.505 1.00 0.00 C ATOM 0 H LEU A 33 7.943 -3.104 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 33 5.112 -3.474 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.117 -1.240 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.418 -1.082 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 33 7.317 -3.121 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.110 -1.770 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.834 -0.840 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.131 -0.580 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.480 -3.561 1.487 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.436 -2.441 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.013 -3.939 -0.188 1.00 0.00 H new ATOM 530 N LEU A 34 6.231 -1.521 -4.529 1.00 0.00 N ATOM 531 CA LEU A 34 5.837 -0.783 -5.725 1.00 0.00 C ATOM 532 C LEU A 34 5.317 -1.730 -6.802 1.00 0.00 C ATOM 533 O LEU A 34 4.520 -1.339 -7.654 1.00 0.00 O ATOM 534 CB LEU A 34 7.019 0.022 -6.264 1.00 0.00 C ATOM 535 CG LEU A 34 7.535 1.144 -5.361 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.895 1.630 -5.839 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.541 2.294 -5.318 1.00 0.00 C ATOM 0 H LEU A 34 7.239 -1.595 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 34 5.034 -0.098 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.841 -0.666 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.731 0.457 -7.221 1.00 0.00 H new ATOM 0 HG LEU A 34 7.647 0.749 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.247 2.428 -5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.605 0.803 -5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.809 2.007 -6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.925 3.083 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.397 2.688 -6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.588 1.937 -4.928 1.00 0.00 H new ATOM 549 N GLN A 35 5.773 -2.978 -6.756 1.00 0.00 N ATOM 550 CA GLN A 35 5.354 -3.981 -7.727 1.00 0.00 C ATOM 551 C GLN A 35 3.899 -4.381 -7.502 1.00 0.00 C ATOM 552 O GLN A 35 3.283 -5.025 -8.352 1.00 0.00 O ATOM 553 CB GLN A 35 6.254 -5.214 -7.641 1.00 0.00 C ATOM 554 CG GLN A 35 5.848 -6.188 -6.547 1.00 0.00 C ATOM 555 CD GLN A 35 5.175 -7.432 -7.093 1.00 0.00 C ATOM 556 OE1 GLN A 35 4.090 -7.810 -6.651 1.00 0.00 O ATOM 557 NE2 GLN A 35 5.818 -8.077 -8.059 1.00 0.00 N ATOM 0 H GLN A 35 6.433 -3.318 -6.056 1.00 0.00 H new ATOM 0 HA GLN A 35 5.443 -3.546 -8.722 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.240 -5.731 -8.600 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.281 -4.893 -7.467 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.731 -6.478 -5.978 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.172 -5.688 -5.854 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.716 -7.728 -8.395 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.414 -8.921 -8.465 1.00 0.00 H new ATOM 566 N LEU A 36 3.356 -3.997 -6.352 1.00 0.00 N ATOM 567 CA LEU A 36 1.973 -4.317 -6.014 1.00 0.00 C ATOM 568 C LEU A 36 1.021 -3.262 -6.568 1.00 0.00 C ATOM 569 O LEU A 36 -0.190 -3.479 -6.639 1.00 0.00 O ATOM 570 CB LEU A 36 1.810 -4.423 -4.497 1.00 0.00 C ATOM 571 CG LEU A 36 2.727 -5.424 -3.792 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.693 -5.208 -2.287 1.00 0.00 C ATOM 573 CD2 LEU A 36 2.325 -6.850 -4.138 1.00 0.00 C ATOM 0 H LEU A 36 3.852 -3.464 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 36 1.725 -5.277 -6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.980 -3.437 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.776 -4.693 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 36 3.747 -5.262 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.351 -5.929 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.029 -4.197 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.675 -5.343 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.988 -7.549 -3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.298 -7.026 -3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.401 -6.998 -5.215 1.00 0.00 H new ATOM 585 N VAL A 37 1.574 -2.119 -6.959 1.00 0.00 N ATOM 586 CA VAL A 37 0.774 -1.031 -7.509 1.00 0.00 C ATOM 587 C VAL A 37 1.300 -0.596 -8.872 1.00 0.00 C ATOM 588 O VAL A 37 0.628 0.129 -9.604 1.00 0.00 O ATOM 589 CB VAL A 37 0.756 0.186 -6.565 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.400 -0.240 -5.149 1.00 0.00 C ATOM 591 CG2 VAL A 37 2.099 0.900 -6.593 1.00 0.00 C ATOM 0 H VAL A 37 2.573 -1.922 -6.905 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.242 -1.410 -7.619 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.008 0.881 -6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.392 0.634 -4.497 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.586 -0.704 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.139 -0.956 -4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.069 1.757 -5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.883 0.214 -6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.309 1.241 -7.607 1.00 0.00 H new ATOM 601 N GLU A 38 2.506 -1.044 -9.204 1.00 0.00 N ATOM 602 CA GLU A 38 3.124 -0.700 -10.480 1.00 0.00 C ATOM 603 C GLU A 38 2.192 -1.032 -11.642 1.00 0.00 C ATOM 604 O GLU A 38 1.782 -0.161 -12.411 1.00 0.00 O ATOM 605 CB GLU A 38 4.450 -1.444 -10.648 1.00 0.00 C ATOM 606 CG GLU A 38 5.658 -0.526 -10.723 1.00 0.00 C ATOM 607 CD GLU A 38 6.341 -0.570 -12.076 1.00 0.00 C ATOM 608 OE1 GLU A 38 5.677 -0.258 -13.086 1.00 0.00 O ATOM 609 OE2 GLU A 38 7.540 -0.915 -12.124 1.00 0.00 O ATOM 0 H GLU A 38 3.075 -1.646 -8.608 1.00 0.00 H new ATOM 0 HA GLU A 38 3.315 0.373 -10.484 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.579 -2.133 -9.813 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.406 -2.047 -11.555 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.346 0.497 -10.511 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.373 -0.808 -9.950 1.00 0.00 H new ATOM 616 N PRO A 39 1.848 -2.322 -11.775 1.00 0.00 N ATOM 617 CA PRO A 39 0.961 -2.800 -12.839 1.00 0.00 C ATOM 618 C PRO A 39 -0.478 -2.335 -12.647 1.00 0.00 C ATOM 619 O PRO A 39 -1.353 -2.636 -13.459 1.00 0.00 O ATOM 620 CB PRO A 39 1.051 -4.323 -12.720 1.00 0.00 C ATOM 621 CG PRO A 39 1.427 -4.569 -11.300 1.00 0.00 C ATOM 622 CD PRO A 39 2.299 -3.413 -10.894 1.00 0.00 C ATOM 0 HA PRO A 39 1.255 -2.417 -13.816 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.100 -4.796 -12.966 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.796 -4.730 -13.403 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.542 -4.630 -10.667 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.959 -5.514 -11.196 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.168 -3.160 -9.842 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.356 -3.636 -11.039 1.00 0.00 H new ATOM 630 N PHE A 40 -0.718 -1.598 -11.568 1.00 0.00 N ATOM 631 CA PHE A 40 -2.052 -1.090 -11.269 1.00 0.00 C ATOM 632 C PHE A 40 -2.177 0.377 -11.665 1.00 0.00 C ATOM 633 O PHE A 40 -3.267 0.948 -11.638 1.00 0.00 O ATOM 634 CB PHE A 40 -2.362 -1.257 -9.779 1.00 0.00 C ATOM 635 CG PHE A 40 -2.480 -2.690 -9.348 1.00 0.00 C ATOM 636 CD1 PHE A 40 -1.348 -3.438 -9.066 1.00 0.00 C ATOM 637 CD2 PHE A 40 -3.723 -3.291 -9.227 1.00 0.00 C ATOM 638 CE1 PHE A 40 -1.454 -4.758 -8.668 1.00 0.00 C ATOM 639 CE2 PHE A 40 -3.835 -4.610 -8.830 1.00 0.00 C ATOM 640 CZ PHE A 40 -2.699 -5.345 -8.552 1.00 0.00 C ATOM 0 H PHE A 40 -0.006 -1.339 -10.885 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.772 -1.667 -11.850 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.577 -0.774 -9.197 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.293 -0.739 -9.550 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.372 -2.985 -9.158 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.615 -2.722 -9.446 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.564 -5.329 -8.448 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.810 -5.066 -8.737 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.784 -6.377 -8.244 1.00 0.00 H new ATOM 650 N GLY A 41 -1.052 0.984 -12.032 1.00 0.00 N ATOM 651 CA GLY A 41 -1.057 2.380 -12.428 1.00 0.00 C ATOM 652 C GLY A 41 0.333 2.984 -12.438 1.00 0.00 C ATOM 653 O GLY A 41 1.319 2.288 -12.675 1.00 0.00 O ATOM 0 H GLY A 41 -0.137 0.533 -12.062 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.497 2.471 -13.421 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.691 2.946 -11.745 1.00 0.00 H new ATOM 657 N VAL A 42 0.411 4.286 -12.180 1.00 0.00 N ATOM 658 CA VAL A 42 1.691 4.985 -12.160 1.00 0.00 C ATOM 659 C VAL A 42 2.070 5.397 -10.742 1.00 0.00 C ATOM 660 O VAL A 42 1.205 5.708 -9.923 1.00 0.00 O ATOM 661 CB VAL A 42 1.660 6.238 -13.056 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.309 6.931 -12.959 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.785 7.190 -12.678 1.00 0.00 C ATOM 0 H VAL A 42 -0.396 4.877 -11.982 1.00 0.00 H new ATOM 0 HA VAL A 42 2.437 4.290 -12.545 1.00 0.00 H new ATOM 0 HB VAL A 42 1.809 5.928 -14.090 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.306 7.814 -13.599 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.475 6.246 -13.282 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.127 7.230 -11.927 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.749 8.070 -13.321 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.669 7.495 -11.638 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.744 6.688 -12.804 1.00 0.00 H new ATOM 673 N ILE A 43 3.368 5.396 -10.460 1.00 0.00 N ATOM 674 CA ILE A 43 3.863 5.771 -9.140 1.00 0.00 C ATOM 675 C ILE A 43 4.121 7.271 -9.056 1.00 0.00 C ATOM 676 O ILE A 43 4.886 7.825 -9.845 1.00 0.00 O ATOM 677 CB ILE A 43 5.160 5.017 -8.790 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.047 3.547 -9.196 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.458 5.139 -7.304 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.165 2.731 -8.277 1.00 0.00 C ATOM 0 H ILE A 43 4.096 5.140 -11.127 1.00 0.00 H new ATOM 0 HA ILE A 43 3.089 5.497 -8.423 1.00 0.00 H new ATOM 0 HB ILE A 43 5.984 5.465 -9.345 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.653 3.488 -10.211 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.044 3.106 -9.215 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.377 4.601 -7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.577 6.190 -7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.634 4.713 -6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.132 1.699 -8.626 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.570 2.759 -7.265 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.157 3.146 -8.276 1.00 0.00 H new ATOM 692 N SER A 44 3.479 7.923 -8.092 1.00 0.00 N ATOM 693 CA SER A 44 3.637 9.360 -7.905 1.00 0.00 C ATOM 694 C SER A 44 4.631 9.656 -6.784 1.00 0.00 C ATOM 695 O SER A 44 5.535 10.475 -6.943 1.00 0.00 O ATOM 696 CB SER A 44 2.288 10.007 -7.589 1.00 0.00 C ATOM 697 OG SER A 44 1.832 10.795 -8.675 1.00 0.00 O ATOM 0 H SER A 44 2.845 7.479 -7.428 1.00 0.00 H new ATOM 0 HA SER A 44 4.025 9.781 -8.833 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.554 9.233 -7.364 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.379 10.628 -6.698 1.00 0.00 H new ATOM 0 HG SER A 44 1.054 11.320 -8.394 1.00 0.00 H new ATOM 703 N ASN A 45 4.454 8.983 -5.652 1.00 0.00 N ATOM 704 CA ASN A 45 5.333 9.173 -4.505 1.00 0.00 C ATOM 705 C ASN A 45 5.019 8.163 -3.405 1.00 0.00 C ATOM 706 O ASN A 45 3.869 8.022 -2.987 1.00 0.00 O ATOM 707 CB ASN A 45 5.195 10.595 -3.960 1.00 0.00 C ATOM 708 CG ASN A 45 6.485 11.386 -4.073 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.326 11.354 -3.175 1.00 0.00 O ATOM 710 ND2 ASN A 45 6.645 12.101 -5.180 1.00 0.00 N ATOM 0 H ASN A 45 3.710 8.301 -5.505 1.00 0.00 H new ATOM 0 HA ASN A 45 6.359 9.016 -4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.405 11.114 -4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.889 10.552 -2.915 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.492 12.654 -5.312 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.921 12.098 -5.898 1.00 0.00 H new ATOM 717 N HIS A 46 6.049 7.462 -2.941 1.00 0.00 N ATOM 718 CA HIS A 46 5.884 6.464 -1.890 1.00 0.00 C ATOM 719 C HIS A 46 6.661 6.861 -0.638 1.00 0.00 C ATOM 720 O HIS A 46 7.587 7.671 -0.700 1.00 0.00 O ATOM 721 CB HIS A 46 6.349 5.093 -2.379 1.00 0.00 C ATOM 722 CG HIS A 46 7.834 4.907 -2.320 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.729 5.838 -2.804 1.00 0.00 N ATOM 724 CD2 HIS A 46 8.580 3.891 -1.827 1.00 0.00 C ATOM 725 CE1 HIS A 46 9.961 5.402 -2.613 1.00 0.00 C ATOM 726 NE2 HIS A 46 9.899 4.223 -2.022 1.00 0.00 N ATOM 0 H HIS A 46 7.007 7.567 -3.276 1.00 0.00 H new ATOM 0 HA HIS A 46 4.825 6.410 -1.638 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.870 4.320 -1.777 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.014 4.950 -3.406 1.00 0.00 H new ATOM 0 HD1 HIS A 46 8.479 6.725 -3.241 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.208 2.988 -1.366 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.866 5.922 -2.893 1.00 0.00 H new ATOM 734 N LEU A 47 6.278 6.287 0.497 1.00 0.00 N ATOM 735 CA LEU A 47 6.938 6.581 1.764 1.00 0.00 C ATOM 736 C LEU A 47 7.136 5.309 2.583 1.00 0.00 C ATOM 737 O LEU A 47 6.181 4.582 2.858 1.00 0.00 O ATOM 738 CB LEU A 47 6.120 7.595 2.566 1.00 0.00 C ATOM 739 CG LEU A 47 6.641 7.922 3.965 1.00 0.00 C ATOM 740 CD1 LEU A 47 5.908 9.125 4.540 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.497 6.717 4.883 1.00 0.00 C ATOM 0 H LEU A 47 5.514 5.615 0.566 1.00 0.00 H new ATOM 0 HA LEU A 47 7.917 7.006 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.066 8.522 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.101 7.218 2.658 1.00 0.00 H new ATOM 0 HG LEU A 47 7.700 8.170 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.292 9.343 5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.064 9.989 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.842 8.906 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.873 6.968 5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.446 6.437 4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.069 5.882 4.479 1.00 0.00 H new ATOM 753 N ILE A 48 8.380 5.049 2.971 1.00 0.00 N ATOM 754 CA ILE A 48 8.702 3.867 3.761 1.00 0.00 C ATOM 755 C ILE A 48 9.482 4.240 5.016 1.00 0.00 C ATOM 756 O ILE A 48 10.565 4.824 4.937 1.00 0.00 O ATOM 757 CB ILE A 48 9.522 2.850 2.945 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.145 2.931 1.463 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.299 1.442 3.477 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.860 1.913 0.602 1.00 0.00 C ATOM 0 H ILE A 48 9.181 5.641 2.751 1.00 0.00 H new ATOM 0 HA ILE A 48 7.754 3.412 4.047 1.00 0.00 H new ATOM 0 HB ILE A 48 10.580 3.093 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.069 2.789 1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.371 3.931 1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.885 0.734 2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.610 1.394 4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.242 1.188 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.545 2.028 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.937 2.068 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.614 0.908 0.946 1.00 0.00 H new ATOM 772 N LEU A 49 8.927 3.902 6.175 1.00 0.00 N ATOM 773 CA LEU A 49 9.572 4.200 7.449 1.00 0.00 C ATOM 774 C LEU A 49 10.456 3.040 7.896 1.00 0.00 C ATOM 775 O LEU A 49 10.124 1.875 7.682 1.00 0.00 O ATOM 776 CB LEU A 49 8.519 4.495 8.519 1.00 0.00 C ATOM 777 CG LEU A 49 7.325 5.337 8.070 1.00 0.00 C ATOM 778 CD1 LEU A 49 6.105 5.032 8.926 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.664 6.820 8.131 1.00 0.00 C ATOM 0 H LEU A 49 8.031 3.421 6.259 1.00 0.00 H new ATOM 0 HA LEU A 49 10.200 5.080 7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.145 3.546 8.904 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.007 5.006 9.349 1.00 0.00 H new ATOM 0 HG LEU A 49 7.092 5.080 7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.265 5.641 8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.849 3.977 8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.326 5.260 9.969 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.802 7.404 7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.924 7.092 9.154 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.509 7.027 7.475 1.00 0.00 H new ATOM 791 N ASN A 50 11.583 3.368 8.520 1.00 0.00 N ATOM 792 CA ASN A 50 12.515 2.354 9.000 1.00 0.00 C ATOM 793 C ASN A 50 12.230 1.999 10.456 1.00 0.00 C ATOM 794 O ASN A 50 12.692 0.974 10.958 1.00 0.00 O ATOM 795 CB ASN A 50 13.957 2.847 8.855 1.00 0.00 C ATOM 796 CG ASN A 50 14.216 3.486 7.504 1.00 0.00 C ATOM 797 OD1 ASN A 50 14.218 2.809 6.476 1.00 0.00 O ATOM 798 ND2 ASN A 50 14.438 4.794 7.501 1.00 0.00 N ATOM 0 H ASN A 50 11.873 4.328 8.705 1.00 0.00 H new ATOM 0 HA ASN A 50 12.382 1.458 8.394 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.172 3.569 9.643 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.640 2.009 8.995 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.620 5.278 6.622 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.427 5.315 8.378 1.00 0.00 H new ATOM 805 N LYS A 51 11.467 2.853 11.129 1.00 0.00 N ATOM 806 CA LYS A 51 11.118 2.630 12.526 1.00 0.00 C ATOM 807 C LYS A 51 10.248 1.387 12.679 1.00 0.00 C ATOM 808 O LYS A 51 10.452 0.582 13.588 1.00 0.00 O ATOM 809 CB LYS A 51 10.387 3.850 13.093 1.00 0.00 C ATOM 810 CG LYS A 51 11.312 4.869 13.736 1.00 0.00 C ATOM 811 CD LYS A 51 11.353 4.709 15.246 1.00 0.00 C ATOM 812 CE LYS A 51 11.826 5.982 15.929 1.00 0.00 C ATOM 813 NZ LYS A 51 11.626 5.928 17.404 1.00 0.00 N ATOM 0 H LYS A 51 11.078 3.707 10.729 1.00 0.00 H new ATOM 0 HA LYS A 51 12.042 2.476 13.084 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.829 4.334 12.291 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.659 3.516 13.832 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.317 4.757 13.330 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.977 5.875 13.485 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.361 4.446 15.612 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.018 3.886 15.508 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.882 6.140 15.711 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.285 6.836 15.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.961 6.814 17.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.615 5.803 17.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.162 5.129 17.798 1.00 0.00 H new ATOM 827 N ILE A 52 9.278 1.235 11.783 1.00 0.00 N ATOM 828 CA ILE A 52 8.379 0.089 11.817 1.00 0.00 C ATOM 829 C ILE A 52 8.051 -0.393 10.409 1.00 0.00 C ATOM 830 O ILE A 52 8.595 0.109 9.427 1.00 0.00 O ATOM 831 CB ILE A 52 7.067 0.424 12.552 1.00 0.00 C ATOM 832 CG1 ILE A 52 6.113 1.174 11.621 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.354 1.247 13.800 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.664 2.492 11.124 1.00 0.00 C ATOM 0 H ILE A 52 9.095 1.892 11.024 1.00 0.00 H new ATOM 0 HA ILE A 52 8.897 -0.703 12.358 1.00 0.00 H new ATOM 0 HB ILE A 52 6.590 -0.508 12.857 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.881 0.541 10.765 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.175 1.356 12.146 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.417 1.476 14.308 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.001 0.680 14.469 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.850 2.176 13.517 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.934 2.968 10.469 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.869 3.144 11.973 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.586 2.315 10.571 1.00 0.00 H new ATOM 846 N ASN A 53 7.154 -1.370 10.318 1.00 0.00 N ATOM 847 CA ASN A 53 6.751 -1.921 9.029 1.00 0.00 C ATOM 848 C ASN A 53 5.527 -1.190 8.484 1.00 0.00 C ATOM 849 O ASN A 53 4.511 -1.809 8.174 1.00 0.00 O ATOM 850 CB ASN A 53 6.449 -3.415 9.161 1.00 0.00 C ATOM 851 CG ASN A 53 7.633 -4.200 9.693 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.726 -3.657 9.863 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.422 -5.483 9.958 1.00 0.00 N ATOM 0 H ASN A 53 6.693 -1.796 11.122 1.00 0.00 H new ATOM 0 HA ASN A 53 7.576 -1.784 8.330 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.597 -3.553 9.826 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.161 -3.812 8.188 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.182 -6.061 10.318 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.500 -5.891 9.802 1.00 0.00 H new ATOM 860 N GLU A 54 5.635 0.130 8.371 1.00 0.00 N ATOM 861 CA GLU A 54 4.537 0.945 7.863 1.00 0.00 C ATOM 862 C GLU A 54 4.963 1.714 6.616 1.00 0.00 C ATOM 863 O GLU A 54 5.865 2.549 6.666 1.00 0.00 O ATOM 864 CB GLU A 54 4.058 1.920 8.939 1.00 0.00 C ATOM 865 CG GLU A 54 3.140 1.287 9.970 1.00 0.00 C ATOM 866 CD GLU A 54 2.180 2.285 10.590 1.00 0.00 C ATOM 867 OE1 GLU A 54 1.828 3.271 9.910 1.00 0.00 O ATOM 868 OE2 GLU A 54 1.781 2.078 11.755 1.00 0.00 O ATOM 0 H GLU A 54 6.471 0.658 8.624 1.00 0.00 H new ATOM 0 HA GLU A 54 3.716 0.279 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.925 2.341 9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.536 2.748 8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.571 0.485 9.500 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.742 0.832 10.756 1.00 0.00 H new ATOM 875 N ALA A 55 4.305 1.426 5.498 1.00 0.00 N ATOM 876 CA ALA A 55 4.613 2.091 4.238 1.00 0.00 C ATOM 877 C ALA A 55 3.342 2.577 3.549 1.00 0.00 C ATOM 878 O ALA A 55 2.260 2.033 3.765 1.00 0.00 O ATOM 879 CB ALA A 55 5.387 1.154 3.321 1.00 0.00 C ATOM 0 H ALA A 55 3.555 0.737 5.439 1.00 0.00 H new ATOM 0 HA ALA A 55 5.232 2.961 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.610 1.664 2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.318 0.859 3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.787 0.267 3.117 1.00 0.00 H new ATOM 885 N PHE A 56 3.482 3.605 2.719 1.00 0.00 N ATOM 886 CA PHE A 56 2.344 4.166 1.999 1.00 0.00 C ATOM 887 C PHE A 56 2.762 4.651 0.614 1.00 0.00 C ATOM 888 O PHE A 56 3.710 5.425 0.475 1.00 0.00 O ATOM 889 CB PHE A 56 1.732 5.322 2.792 1.00 0.00 C ATOM 890 CG PHE A 56 1.871 5.169 4.280 1.00 0.00 C ATOM 891 CD1 PHE A 56 2.996 5.641 4.937 1.00 0.00 C ATOM 892 CD2 PHE A 56 0.877 4.552 5.022 1.00 0.00 C ATOM 893 CE1 PHE A 56 3.127 5.500 6.305 1.00 0.00 C ATOM 894 CE2 PHE A 56 1.001 4.409 6.391 1.00 0.00 C ATOM 895 CZ PHE A 56 2.128 4.884 7.033 1.00 0.00 C ATOM 0 H PHE A 56 4.371 4.067 2.528 1.00 0.00 H new ATOM 0 HA PHE A 56 1.598 3.380 1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.207 6.254 2.485 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.675 5.405 2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.780 6.125 4.373 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.006 4.178 4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.010 5.871 6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.218 3.927 6.958 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.228 4.774 8.103 1.00 0.00 H new ATOM 905 N ILE A 57 2.050 4.189 -0.408 1.00 0.00 N ATOM 906 CA ILE A 57 2.346 4.575 -1.782 1.00 0.00 C ATOM 907 C ILE A 57 1.281 5.520 -2.329 1.00 0.00 C ATOM 908 O ILE A 57 0.087 5.310 -2.124 1.00 0.00 O ATOM 909 CB ILE A 57 2.446 3.344 -2.703 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.704 2.537 -2.377 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.451 3.775 -4.163 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.628 1.093 -2.821 1.00 0.00 C ATOM 0 H ILE A 57 1.264 3.547 -0.310 1.00 0.00 H new ATOM 0 HA ILE A 57 3.309 5.086 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 57 1.576 2.710 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.563 3.010 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.878 2.569 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.522 2.895 -4.802 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.530 4.312 -4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.305 4.427 -4.347 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.554 0.582 -2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.790 0.604 -2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.485 1.051 -3.901 1.00 0.00 H new ATOM 924 N GLU A 58 1.725 6.561 -3.028 1.00 0.00 N ATOM 925 CA GLU A 58 0.809 7.538 -3.606 1.00 0.00 C ATOM 926 C GLU A 58 0.748 7.395 -5.124 1.00 0.00 C ATOM 927 O GLU A 58 1.756 7.553 -5.813 1.00 0.00 O ATOM 928 CB GLU A 58 1.242 8.958 -3.233 1.00 0.00 C ATOM 929 CG GLU A 58 0.198 10.015 -3.551 1.00 0.00 C ATOM 930 CD GLU A 58 -0.124 10.894 -2.358 1.00 0.00 C ATOM 931 OE1 GLU A 58 0.017 10.415 -1.214 1.00 0.00 O ATOM 932 OE2 GLU A 58 -0.515 12.061 -2.570 1.00 0.00 O ATOM 0 H GLU A 58 2.711 6.749 -3.207 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.185 7.351 -3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.468 8.992 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.164 9.199 -3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.555 10.638 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.714 9.528 -3.895 1.00 0.00 H new ATOM 939 N MET A 59 -0.441 7.094 -5.636 1.00 0.00 N ATOM 940 CA MET A 59 -0.633 6.931 -7.073 1.00 0.00 C ATOM 941 C MET A 59 -1.011 8.257 -7.725 1.00 0.00 C ATOM 942 O MET A 59 -1.433 9.194 -7.048 1.00 0.00 O ATOM 943 CB MET A 59 -1.715 5.885 -7.348 1.00 0.00 C ATOM 944 CG MET A 59 -1.510 4.583 -6.590 1.00 0.00 C ATOM 945 SD MET A 59 -0.014 3.714 -7.096 1.00 0.00 S ATOM 946 CE MET A 59 -0.559 2.969 -8.632 1.00 0.00 C ATOM 0 H MET A 59 -1.285 6.958 -5.079 1.00 0.00 H new ATOM 0 HA MET A 59 0.308 6.591 -7.505 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.687 6.301 -7.082 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.740 5.673 -8.417 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.460 4.793 -5.522 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.373 3.936 -6.747 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.269 2.425 -9.086 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.379 2.280 -8.431 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.898 3.748 -9.314 1.00 0.00 H new ATOM 956 N ALA A 60 -0.859 8.327 -9.044 1.00 0.00 N ATOM 957 CA ALA A 60 -1.188 9.538 -9.786 1.00 0.00 C ATOM 958 C ALA A 60 -2.697 9.739 -9.870 1.00 0.00 C ATOM 959 O ALA A 60 -3.180 10.867 -9.972 1.00 0.00 O ATOM 960 CB ALA A 60 -0.583 9.481 -11.181 1.00 0.00 C ATOM 0 H ALA A 60 -0.511 7.560 -9.620 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.765 10.388 -9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.836 10.391 -11.725 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.501 9.394 -11.104 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.980 8.617 -11.715 1.00 0.00 H new ATOM 966 N THR A 61 -3.439 8.636 -9.827 1.00 0.00 N ATOM 967 CA THR A 61 -4.893 8.691 -9.901 1.00 0.00 C ATOM 968 C THR A 61 -5.530 7.677 -8.957 1.00 0.00 C ATOM 969 O THR A 61 -5.159 6.503 -8.947 1.00 0.00 O ATOM 970 CB THR A 61 -5.395 8.426 -11.333 1.00 0.00 C ATOM 971 OG1 THR A 61 -5.019 7.108 -11.748 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.825 9.449 -12.304 1.00 0.00 C ATOM 0 H THR A 61 -3.056 7.694 -9.741 1.00 0.00 H new ATOM 0 HA THR A 61 -5.186 9.698 -9.602 1.00 0.00 H new ATOM 0 HB THR A 61 -6.482 8.512 -11.335 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.343 6.947 -12.659 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.193 9.242 -13.309 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.136 10.449 -12.003 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.737 9.390 -12.297 1.00 0.00 H new ATOM 980 N THR A 62 -6.492 8.137 -8.163 1.00 0.00 N ATOM 981 CA THR A 62 -7.180 7.270 -7.214 1.00 0.00 C ATOM 982 C THR A 62 -7.630 5.975 -7.879 1.00 0.00 C ATOM 983 O THR A 62 -7.853 4.968 -7.208 1.00 0.00 O ATOM 984 CB THR A 62 -8.407 7.972 -6.600 1.00 0.00 C ATOM 985 OG1 THR A 62 -9.222 7.018 -5.911 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.228 8.666 -7.675 1.00 0.00 C ATOM 0 H THR A 62 -6.812 9.105 -8.158 1.00 0.00 H new ATOM 0 HA THR A 62 -6.468 7.040 -6.422 1.00 0.00 H new ATOM 0 HB THR A 62 -8.053 8.724 -5.895 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.567 7.418 -5.086 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.088 9.154 -7.217 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.613 9.412 -8.178 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.572 7.930 -8.402 1.00 0.00 H new ATOM 994 N GLU A 63 -7.759 6.008 -9.202 1.00 0.00 N ATOM 995 CA GLU A 63 -8.183 4.835 -9.957 1.00 0.00 C ATOM 996 C GLU A 63 -7.214 3.675 -9.750 1.00 0.00 C ATOM 997 O GLU A 63 -7.620 2.514 -9.696 1.00 0.00 O ATOM 998 CB GLU A 63 -8.285 5.169 -11.446 1.00 0.00 C ATOM 999 CG GLU A 63 -9.497 6.013 -11.800 1.00 0.00 C ATOM 1000 CD GLU A 63 -9.129 7.275 -12.558 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -8.497 7.161 -13.627 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -9.474 8.375 -12.078 1.00 0.00 O ATOM 0 H GLU A 63 -7.576 6.834 -9.772 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.165 4.535 -9.591 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.383 5.698 -11.754 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.321 4.241 -12.016 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.185 5.420 -12.402 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.026 6.284 -10.886 1.00 0.00 H new ATOM 1009 N ASP A 64 -5.930 3.998 -9.633 1.00 0.00 N ATOM 1010 CA ASP A 64 -4.902 2.985 -9.431 1.00 0.00 C ATOM 1011 C ASP A 64 -4.955 2.432 -8.010 1.00 0.00 C ATOM 1012 O ASP A 64 -5.253 1.256 -7.802 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.517 3.569 -9.713 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.524 4.541 -10.876 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.399 4.406 -11.757 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -2.655 5.437 -10.906 1.00 0.00 O ATOM 0 H ASP A 64 -5.577 4.954 -9.675 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.091 2.168 -10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.152 4.077 -8.821 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.820 2.758 -9.925 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.663 3.287 -7.036 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.679 2.885 -5.636 1.00 0.00 C ATOM 1023 C ALA A 65 -5.890 2.010 -5.329 1.00 0.00 C ATOM 1024 O ALA A 65 -5.751 0.905 -4.806 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.671 4.111 -4.734 1.00 0.00 C ATOM 0 H ALA A 65 -4.412 4.263 -7.191 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.781 2.299 -5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.683 3.795 -3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.772 4.698 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.552 4.719 -4.939 1.00 0.00 H new ATOM 1031 N GLN A 66 -7.076 2.511 -5.660 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.310 1.774 -5.418 1.00 0.00 C ATOM 1033 C GLN A 66 -8.246 0.385 -6.045 1.00 0.00 C ATOM 1034 O GLN A 66 -8.746 -0.587 -5.478 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.507 2.544 -5.978 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.853 3.793 -5.182 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.303 4.206 -5.347 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -12.212 3.384 -5.231 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.525 5.487 -5.618 1.00 0.00 N ATOM 0 H GLN A 66 -7.208 3.424 -6.096 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.431 1.662 -4.341 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.296 2.827 -7.009 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.375 1.885 -5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.647 3.615 -4.126 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.207 4.612 -5.499 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.741 6.133 -5.705 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.480 5.825 -5.739 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.628 0.298 -7.219 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.498 -0.971 -7.922 1.00 0.00 C ATOM 1050 C ALA A 67 -6.571 -1.922 -7.171 1.00 0.00 C ATOM 1051 O ALA A 67 -6.858 -3.112 -7.043 1.00 0.00 O ATOM 1052 CB ALA A 67 -6.987 -0.742 -9.336 1.00 0.00 C ATOM 0 H ALA A 67 -7.210 1.093 -7.703 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.485 -1.431 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.895 -1.699 -9.849 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.687 -0.106 -9.877 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.012 -0.256 -9.296 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.459 -1.389 -6.676 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.491 -2.189 -5.938 1.00 0.00 C ATOM 1060 C ALA A 68 -5.128 -2.818 -4.702 1.00 0.00 C ATOM 1061 O ALA A 68 -4.839 -3.964 -4.358 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.293 -1.338 -5.541 1.00 0.00 C ATOM 0 H ALA A 68 -5.206 -0.406 -6.773 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.150 -2.993 -6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.579 -1.950 -4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.816 -0.941 -6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.626 -0.513 -4.911 1.00 0.00 H new ATOM 1068 N VAL A 69 -5.994 -2.059 -4.037 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.672 -2.541 -2.841 1.00 0.00 C ATOM 1070 C VAL A 69 -7.652 -3.659 -3.176 1.00 0.00 C ATOM 1071 O VAL A 69 -7.725 -4.667 -2.474 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.430 -1.406 -2.128 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.173 -1.939 -0.914 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.471 -0.293 -1.730 1.00 0.00 C ATOM 0 H VAL A 69 -6.242 -1.107 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.900 -2.926 -2.175 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.164 -0.993 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.702 -1.122 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.889 -2.698 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.461 -2.380 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.023 0.501 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.712 -0.690 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.989 0.109 -2.622 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.404 -3.474 -4.256 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.380 -4.468 -4.688 1.00 0.00 C ATOM 1086 C ASP A 70 -8.703 -5.806 -4.972 1.00 0.00 C ATOM 1087 O ASP A 70 -9.371 -6.827 -5.142 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.118 -3.981 -5.935 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.613 -4.218 -5.853 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.162 -4.159 -4.733 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.234 -4.465 -6.908 1.00 0.00 O ATOM 0 H ASP A 70 -8.356 -2.645 -4.848 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.100 -4.609 -3.882 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.929 -2.916 -6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.720 -4.492 -6.812 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.376 -5.793 -5.023 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.609 -7.005 -5.290 1.00 0.00 C ATOM 1098 C TYR A 71 -6.334 -7.770 -4.000 1.00 0.00 C ATOM 1099 O TYR A 71 -6.152 -8.988 -4.012 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.291 -6.656 -5.981 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.588 -7.852 -6.582 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -5.255 -8.715 -7.444 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -3.257 -8.122 -6.287 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -4.617 -9.810 -7.995 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -2.611 -9.214 -6.834 1.00 0.00 C ATOM 1106 CZ TYR A 71 -3.295 -10.055 -7.687 1.00 0.00 C ATOM 1107 OH TYR A 71 -2.656 -11.144 -8.233 1.00 0.00 O ATOM 0 H TYR A 71 -6.809 -4.957 -4.883 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.199 -7.642 -5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.485 -5.926 -6.767 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.627 -6.179 -5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.290 -8.526 -7.687 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.718 -7.467 -5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.150 -10.470 -8.663 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.576 -9.408 -6.595 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.729 -11.172 -7.916 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.303 -7.046 -2.885 1.00 0.00 N ATOM 1118 CA TYR A 72 -6.048 -7.656 -1.585 1.00 0.00 C ATOM 1119 C TYR A 72 -7.324 -8.256 -1.004 1.00 0.00 C ATOM 1120 O TYR A 72 -7.278 -9.197 -0.211 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.470 -6.621 -0.618 1.00 0.00 C ATOM 1122 CG TYR A 72 -5.870 -6.850 0.822 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -5.133 -7.696 1.641 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -6.984 -6.220 1.363 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -5.494 -7.909 2.958 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -7.352 -6.426 2.678 1.00 0.00 C ATOM 1127 CZ TYR A 72 -6.604 -7.270 3.472 1.00 0.00 C ATOM 1128 OH TYR A 72 -6.968 -7.479 4.783 1.00 0.00 O ATOM 0 H TYR A 72 -6.451 -6.037 -2.856 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.323 -8.458 -1.724 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.383 -6.635 -0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.797 -5.627 -0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.263 -8.196 1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.572 -5.558 0.745 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.911 -8.571 3.581 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.221 -5.929 3.083 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.770 -6.955 4.987 1.00 0.00 H new ATOM 1138 N THR A 73 -8.466 -7.704 -1.406 1.00 0.00 N ATOM 1139 CA THR A 73 -9.756 -8.182 -0.925 1.00 0.00 C ATOM 1140 C THR A 73 -10.185 -9.443 -1.666 1.00 0.00 C ATOM 1141 O THR A 73 -10.993 -10.226 -1.165 1.00 0.00 O ATOM 1142 CB THR A 73 -10.849 -7.109 -1.087 1.00 0.00 C ATOM 1143 OG1 THR A 73 -12.104 -7.613 -0.618 1.00 0.00 O ATOM 1144 CG2 THR A 73 -10.979 -6.685 -2.542 1.00 0.00 C ATOM 0 H THR A 73 -8.523 -6.926 -2.063 1.00 0.00 H new ATOM 0 HA THR A 73 -9.634 -8.409 0.134 1.00 0.00 H new ATOM 0 HB THR A 73 -10.564 -6.239 -0.495 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.793 -6.924 -0.723 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.757 -5.927 -2.632 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.030 -6.274 -2.887 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.243 -7.550 -3.151 1.00 0.00 H new ATOM 1152 N THR A 74 -9.639 -9.636 -2.863 1.00 0.00 N ATOM 1153 CA THR A 74 -9.965 -10.804 -3.673 1.00 0.00 C ATOM 1154 C THR A 74 -8.804 -11.789 -3.711 1.00 0.00 C ATOM 1155 O THR A 74 -9.000 -13.002 -3.621 1.00 0.00 O ATOM 1156 CB THR A 74 -10.331 -10.402 -5.114 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.140 -10.186 -5.880 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.182 -9.140 -5.126 1.00 0.00 C ATOM 0 H THR A 74 -8.969 -8.998 -3.293 1.00 0.00 H new ATOM 0 HA THR A 74 -10.826 -11.282 -3.207 1.00 0.00 H new ATOM 0 HB THR A 74 -10.907 -11.214 -5.558 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.381 -9.932 -6.795 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.427 -8.876 -6.155 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.101 -9.316 -4.567 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.628 -8.323 -4.665 1.00 0.00 H new ATOM 1166 N THR A 75 -7.591 -11.261 -3.844 1.00 0.00 N ATOM 1167 CA THR A 75 -6.396 -12.095 -3.895 1.00 0.00 C ATOM 1168 C THR A 75 -5.425 -11.732 -2.778 1.00 0.00 C ATOM 1169 O THR A 75 -5.213 -10.560 -2.464 1.00 0.00 O ATOM 1170 CB THR A 75 -5.677 -11.964 -5.250 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.529 -12.423 -6.305 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.381 -12.762 -5.255 1.00 0.00 C ATOM 0 H THR A 75 -7.410 -10.260 -3.918 1.00 0.00 H new ATOM 0 HA THR A 75 -6.724 -13.126 -3.766 1.00 0.00 H new ATOM 0 HB THR A 75 -5.439 -10.912 -5.408 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.064 -12.334 -7.163 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.891 -12.654 -6.223 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.722 -12.390 -4.471 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.601 -13.814 -5.075 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.817 -12.758 -2.164 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.855 -12.570 -1.074 1.00 0.00 C ATOM 1182 C PRO A 76 -2.546 -11.954 -1.554 1.00 0.00 C ATOM 1183 O PRO A 76 -1.864 -12.515 -2.412 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.621 -13.992 -0.559 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.926 -14.871 -1.723 1.00 0.00 C ATOM 1186 CD PRO A 76 -5.020 -14.180 -2.487 1.00 0.00 C ATOM 0 HA PRO A 76 -4.229 -11.883 -0.315 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.594 -14.126 -0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.269 -14.218 0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.044 -15.013 -2.347 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.245 -15.860 -1.393 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.940 -14.364 -3.558 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.006 -14.525 -2.177 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.200 -10.799 -0.996 1.00 0.00 N ATOM 1195 CA ALA A 77 -0.970 -10.109 -1.367 1.00 0.00 C ATOM 1196 C ALA A 77 0.207 -10.596 -0.528 1.00 0.00 C ATOM 1197 O ALA A 77 0.459 -10.082 0.564 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.143 -8.606 -1.215 1.00 0.00 C ATOM 0 H ALA A 77 -2.754 -10.321 -0.285 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.756 -10.335 -2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.217 -8.103 -1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.951 -8.265 -1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.384 -8.371 -0.178 1.00 0.00 H new ATOM 1204 N LEU A 78 0.924 -11.589 -1.043 1.00 0.00 N ATOM 1205 CA LEU A 78 2.074 -12.146 -0.340 1.00 0.00 C ATOM 1206 C LEU A 78 3.347 -11.384 -0.692 1.00 0.00 C ATOM 1207 O LEU A 78 3.865 -11.497 -1.802 1.00 0.00 O ATOM 1208 CB LEU A 78 2.240 -13.626 -0.687 1.00 0.00 C ATOM 1209 CG LEU A 78 1.102 -14.549 -0.250 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.440 -15.999 -0.564 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.814 -14.376 1.234 1.00 0.00 C ATOM 0 H LEU A 78 0.729 -12.025 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 78 1.897 -12.048 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.359 -13.714 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.165 -13.983 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 78 0.206 -14.277 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.619 -16.641 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.595 -16.112 -1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.349 -16.284 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.001 -15.041 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.707 -14.620 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.527 -13.343 1.431 1.00 0.00 H new ATOM 1223 N VAL A 79 3.849 -10.607 0.265 1.00 0.00 N ATOM 1224 CA VAL A 79 5.064 -9.828 0.057 1.00 0.00 C ATOM 1225 C VAL A 79 6.292 -10.583 0.554 1.00 0.00 C ATOM 1226 O VAL A 79 6.356 -10.989 1.715 1.00 0.00 O ATOM 1227 CB VAL A 79 4.987 -8.467 0.774 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.331 -7.759 0.721 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.895 -7.603 0.160 1.00 0.00 C ATOM 0 H VAL A 79 3.433 -10.501 1.190 1.00 0.00 H new ATOM 0 HA VAL A 79 5.153 -9.661 -1.016 1.00 0.00 H new ATOM 0 HB VAL A 79 4.736 -8.641 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.257 -6.799 1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.086 -8.374 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.615 -7.595 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.854 -6.645 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.113 -7.436 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.934 -8.109 0.256 1.00 0.00 H new ATOM 1239 N PHE A 80 7.265 -10.767 -0.332 1.00 0.00 N ATOM 1240 CA PHE A 80 8.492 -11.474 0.016 1.00 0.00 C ATOM 1241 C PHE A 80 8.205 -12.940 0.331 1.00 0.00 C ATOM 1242 O PHE A 80 9.095 -13.684 0.737 1.00 0.00 O ATOM 1243 CB PHE A 80 9.167 -10.806 1.216 1.00 0.00 C ATOM 1244 CG PHE A 80 10.261 -9.851 0.833 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.236 -10.224 -0.079 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.315 -8.582 1.386 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.244 -9.347 -0.433 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.321 -7.700 1.035 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.287 -8.084 0.125 1.00 0.00 C ATOM 0 H PHE A 80 7.228 -10.436 -1.296 1.00 0.00 H new ATOM 0 HA PHE A 80 9.163 -11.430 -0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.414 -10.271 1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.580 -11.577 1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.208 -11.210 -0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.563 -8.278 2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.997 -9.649 -1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.351 -6.713 1.472 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.075 -7.398 -0.150 1.00 0.00 H new ATOM 1259 N GLY A 81 6.954 -13.346 0.139 1.00 0.00 N ATOM 1260 CA GLY A 81 6.570 -14.720 0.407 1.00 0.00 C ATOM 1261 C GLY A 81 5.548 -14.830 1.521 1.00 0.00 C ATOM 1262 O GLY A 81 4.894 -15.861 1.674 1.00 0.00 O ATOM 0 H GLY A 81 6.199 -12.748 -0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.162 -15.164 -0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.456 -15.296 0.673 1.00 0.00 H new ATOM 1266 N LYS A 82 5.411 -13.764 2.303 1.00 0.00 N ATOM 1267 CA LYS A 82 4.461 -13.744 3.409 1.00 0.00 C ATOM 1268 C LYS A 82 3.345 -12.737 3.151 1.00 0.00 C ATOM 1269 O LYS A 82 3.541 -11.710 2.501 1.00 0.00 O ATOM 1270 CB LYS A 82 5.178 -13.401 4.717 1.00 0.00 C ATOM 1271 CG LYS A 82 6.089 -12.190 4.613 1.00 0.00 C ATOM 1272 CD LYS A 82 7.535 -12.598 4.387 1.00 0.00 C ATOM 1273 CE LYS A 82 8.487 -11.442 4.653 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.868 -11.918 4.947 1.00 0.00 N ATOM 0 H LYS A 82 5.946 -12.903 2.191 1.00 0.00 H new ATOM 0 HA LYS A 82 4.018 -14.737 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.434 -13.220 5.492 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.767 -14.261 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.757 -11.553 3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.015 -11.599 5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.785 -13.434 5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.660 -12.946 3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.507 -10.781 3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.119 -10.854 5.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.487 -11.101 5.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.853 -12.528 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.229 -12.458 4.135 1.00 0.00 H new ATOM 1288 N PRO A 83 2.145 -13.035 3.672 1.00 0.00 N ATOM 1289 CA PRO A 83 0.975 -12.168 3.511 1.00 0.00 C ATOM 1290 C PRO A 83 1.103 -10.870 4.300 1.00 0.00 C ATOM 1291 O PRO A 83 1.741 -10.831 5.353 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.174 -13.016 4.062 1.00 0.00 C ATOM 1293 CG PRO A 83 0.474 -13.956 5.019 1.00 0.00 C ATOM 1294 CD PRO A 83 1.840 -14.243 4.457 1.00 0.00 C ATOM 0 HA PRO A 83 0.837 -11.859 2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.920 -12.396 4.560 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.687 -13.554 3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.546 -13.513 6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.107 -14.873 5.120 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.574 -14.405 5.247 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.839 -15.138 3.834 1.00 0.00 H new ATOM 1302 N VAL A 84 0.494 -9.806 3.785 1.00 0.00 N ATOM 1303 CA VAL A 84 0.540 -8.506 4.443 1.00 0.00 C ATOM 1304 C VAL A 84 -0.829 -7.832 4.424 1.00 0.00 C ATOM 1305 O VAL A 84 -1.827 -8.444 4.045 1.00 0.00 O ATOM 1306 CB VAL A 84 1.567 -7.574 3.774 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.946 -8.216 3.769 1.00 0.00 C ATOM 1308 CG2 VAL A 84 1.128 -7.223 2.360 1.00 0.00 C ATOM 0 H VAL A 84 -0.037 -9.819 2.914 1.00 0.00 H new ATOM 0 HA VAL A 84 0.841 -8.684 5.475 1.00 0.00 H new ATOM 0 HB VAL A 84 1.624 -6.651 4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.659 -7.543 3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.260 -8.411 4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.908 -9.155 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.866 -6.564 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.041 -8.135 1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.162 -6.719 2.393 1.00 0.00 H new ATOM 1318 N ARG A 85 -0.866 -6.570 4.835 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.111 -5.813 4.866 1.00 0.00 C ATOM 1320 C ARG A 85 -2.090 -4.687 3.836 1.00 0.00 C ATOM 1321 O ARG A 85 -1.070 -4.025 3.646 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.348 -5.235 6.263 1.00 0.00 C ATOM 1323 CG ARG A 85 -3.022 -6.207 7.218 1.00 0.00 C ATOM 1324 CD ARG A 85 -3.434 -5.521 8.511 1.00 0.00 C ATOM 1325 NE ARG A 85 -2.806 -6.134 9.679 1.00 0.00 N ATOM 1326 CZ ARG A 85 -2.987 -5.701 10.922 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -3.772 -4.659 11.158 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -2.381 -6.312 11.933 1.00 0.00 N ATOM 0 H ARG A 85 -0.048 -6.049 5.151 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.925 -6.494 4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.392 -4.927 6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.962 -4.339 6.177 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.900 -6.640 6.739 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.343 -7.030 7.442 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.162 -4.466 8.465 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.518 -5.566 8.616 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.196 -6.938 9.532 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.239 -4.187 10.384 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.909 -4.329 12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.776 -7.114 11.756 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.520 -5.979 12.887 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.222 -4.476 3.173 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.334 -3.432 2.163 1.00 0.00 C ATOM 1344 C VAL A 86 -4.616 -2.627 2.343 1.00 0.00 C ATOM 1345 O VAL A 86 -5.718 -3.176 2.302 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.308 -4.021 0.740 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.500 -2.924 -0.297 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -2.006 -4.771 0.499 1.00 0.00 C ATOM 0 H VAL A 86 -4.076 -5.015 3.318 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.474 -2.775 2.293 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.132 -4.727 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.479 -3.360 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.460 -2.434 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.699 -2.191 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.004 -5.181 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.165 -4.087 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.915 -5.583 1.220 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.467 -1.321 2.542 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.613 -0.439 2.728 1.00 0.00 C ATOM 1360 C HIS A 87 -5.526 0.767 1.798 1.00 0.00 C ATOM 1361 O HIS A 87 -4.512 0.979 1.131 1.00 0.00 O ATOM 1362 CB HIS A 87 -5.693 0.028 4.182 1.00 0.00 C ATOM 1363 CG HIS A 87 -5.855 -1.092 5.163 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.241 -1.106 6.398 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -6.568 -2.241 5.086 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -5.568 -2.214 7.037 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -6.373 -2.920 6.263 1.00 0.00 N ATOM 0 H HIS A 87 -3.563 -0.850 2.579 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.516 -0.999 2.484 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.789 0.586 4.426 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.531 0.717 4.288 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.176 -2.563 4.254 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.234 -2.496 8.025 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.783 -3.823 6.501 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.596 1.555 1.758 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.642 2.740 0.908 1.00 0.00 C ATOM 1377 C LEU A 88 -6.904 3.994 1.736 1.00 0.00 C ATOM 1378 O LEU A 88 -8.044 4.439 1.862 1.00 0.00 O ATOM 1379 CB LEU A 88 -7.726 2.584 -0.160 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.454 3.273 -1.498 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -7.558 4.783 -1.351 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -6.083 2.880 -2.031 1.00 0.00 C ATOM 0 H LEU A 88 -7.442 1.395 2.304 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.673 2.845 0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.875 1.520 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.662 2.971 0.242 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.208 2.945 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.361 5.257 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.560 5.048 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.827 5.129 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.906 3.379 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.316 3.179 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.044 1.800 -2.175 1.00 0.00 H new