USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -162:sc= -0.284 (180deg=-2) USER MOD Single : A 19 LYS NZ :NH3+ -116:sc= -1.14 (180deg=-3.03!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.138 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 139:sc= -2.32 (180deg=-6.73!) USER MOD Single : A 39 TYR OH : rot -105:sc= 0.244 USER MOD Single : A 52 ASN : amide:sc= -4.7 K(o=-4.7,f=-9.6!) USER MOD Single : A 55 MET CE :methyl -170:sc= -0.297 (180deg=-0.563) USER MOD Single : A 60 GLN :FLIP amide:sc= -2.89 F(o=-5.1!,f=-2.9) USER MOD Single : A 65 ASN : amide:sc= -2.39! C(o=-2.4!,f=-3.4!) USER MOD Single : A 72 MET CE :methyl -146:sc= -2 (180deg=-4.96!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -5.85! C(o=-5.9!,f=-7.1!) USER MOD Single : A 82 LYS NZ :NH3+ -114:sc= -0.333 (180deg=-1.78!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 13 9.552 -3.962 -3.486 1.00 0.00 N ATOM 149 CA PHE A 13 9.932 -3.261 -2.265 1.00 0.00 C ATOM 150 C PHE A 13 8.698 -2.778 -1.510 1.00 0.00 C ATOM 151 O PHE A 13 7.626 -2.607 -2.091 1.00 0.00 O ATOM 152 CB PHE A 13 10.840 -2.074 -2.595 1.00 0.00 C ATOM 153 CG PHE A 13 10.108 -0.910 -3.199 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.932 -0.822 -4.571 1.00 0.00 C ATOM 155 CD2 PHE A 13 9.598 0.097 -2.396 1.00 0.00 C ATOM 156 CE1 PHE A 13 9.259 0.248 -5.130 1.00 0.00 C ATOM 157 CE2 PHE A 13 8.924 1.169 -2.950 1.00 0.00 C ATOM 158 CZ PHE A 13 8.755 1.245 -4.318 1.00 0.00 C ATOM 0 HA PHE A 13 10.476 -3.959 -1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.341 -1.745 -1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.617 -2.402 -3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 13 10.325 -1.598 -5.211 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.728 0.044 -1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 13 9.127 0.304 -6.200 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.530 1.947 -2.313 1.00 0.00 H new ATOM 0 HZ PHE A 13 8.230 2.083 -4.752 1.00 0.00 H new ATOM 168 N THR A 14 8.856 -2.559 -0.208 1.00 0.00 N ATOM 169 CA THR A 14 7.756 -2.097 0.629 1.00 0.00 C ATOM 170 C THR A 14 7.857 -0.598 0.892 1.00 0.00 C ATOM 171 O THR A 14 8.942 -0.020 0.835 1.00 0.00 O ATOM 172 CB THR A 14 7.724 -2.842 1.976 1.00 0.00 C ATOM 173 OG1 THR A 14 8.963 -2.656 2.669 1.00 0.00 O ATOM 174 CG2 THR A 14 7.473 -4.328 1.767 1.00 0.00 C ATOM 0 H THR A 14 9.736 -2.694 0.290 1.00 0.00 H new ATOM 0 HA THR A 14 6.835 -2.306 0.085 1.00 0.00 H new ATOM 0 HB THR A 14 6.909 -2.432 2.573 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.933 -3.132 3.525 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.455 -4.833 2.733 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.515 -4.468 1.266 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.269 -4.749 1.153 1.00 0.00 H new ATOM 182 N VAL A 15 6.720 0.025 1.182 1.00 0.00 N ATOM 183 CA VAL A 15 6.681 1.456 1.456 1.00 0.00 C ATOM 184 C VAL A 15 6.370 1.726 2.924 1.00 0.00 C ATOM 185 O VAL A 15 5.571 1.021 3.541 1.00 0.00 O ATOM 186 CB VAL A 15 5.631 2.167 0.582 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.588 3.654 0.901 1.00 0.00 C ATOM 188 CG2 VAL A 15 5.923 1.938 -0.893 1.00 0.00 C ATOM 0 H VAL A 15 5.813 -0.439 1.233 1.00 0.00 H new ATOM 0 HA VAL A 15 7.669 1.850 1.218 1.00 0.00 H new ATOM 0 HB VAL A 15 4.652 1.744 0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.840 4.139 0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.327 3.794 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.566 4.096 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.171 2.447 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.910 2.333 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.897 0.870 -1.107 1.00 0.00 H new ATOM 198 N ASP A 16 7.007 2.752 3.479 1.00 0.00 N ATOM 199 CA ASP A 16 6.798 3.117 4.875 1.00 0.00 C ATOM 200 C ASP A 16 6.645 4.628 5.025 1.00 0.00 C ATOM 201 O ASP A 16 7.583 5.384 4.773 1.00 0.00 O ATOM 202 CB ASP A 16 7.962 2.622 5.734 1.00 0.00 C ATOM 203 CG ASP A 16 7.747 2.888 7.211 1.00 0.00 C ATOM 204 OD1 ASP A 16 7.324 4.011 7.556 1.00 0.00 O ATOM 205 OD2 ASP A 16 8.000 1.972 8.021 1.00 0.00 O ATOM 0 H ASP A 16 7.672 3.345 2.983 1.00 0.00 H new ATOM 0 HA ASP A 16 5.878 2.641 5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.096 1.552 5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.881 3.110 5.410 1.00 0.00 H new ATOM 210 N MET A 17 5.457 5.060 5.436 1.00 0.00 N ATOM 211 CA MET A 17 5.183 6.480 5.619 1.00 0.00 C ATOM 212 C MET A 17 4.141 6.696 6.712 1.00 0.00 C ATOM 213 O MET A 17 3.578 5.739 7.242 1.00 0.00 O ATOM 214 CB MET A 17 4.699 7.101 4.307 1.00 0.00 C ATOM 215 CG MET A 17 5.209 6.381 3.069 1.00 0.00 C ATOM 216 SD MET A 17 4.717 7.197 1.539 1.00 0.00 S ATOM 217 CE MET A 17 2.948 7.337 1.783 1.00 0.00 C ATOM 0 H MET A 17 4.670 4.447 5.648 1.00 0.00 H new ATOM 0 HA MET A 17 6.109 6.967 5.923 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.609 7.100 4.295 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.017 8.143 4.268 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.297 6.321 3.111 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.833 5.358 3.068 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.462 7.518 0.824 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.566 6.412 2.215 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.738 8.166 2.459 1.00 0.00 H new ATOM 227 N GLU A 18 3.890 7.959 7.043 1.00 0.00 N ATOM 228 CA GLU A 18 2.916 8.298 8.074 1.00 0.00 C ATOM 229 C GLU A 18 1.790 9.153 7.499 1.00 0.00 C ATOM 230 O GLU A 18 1.827 9.546 6.332 1.00 0.00 O ATOM 231 CB GLU A 18 3.597 9.040 9.226 1.00 0.00 C ATOM 232 CG GLU A 18 4.091 8.123 10.332 1.00 0.00 C ATOM 233 CD GLU A 18 5.300 8.682 11.057 1.00 0.00 C ATOM 234 OE1 GLU A 18 6.332 8.918 10.395 1.00 0.00 O ATOM 235 OE2 GLU A 18 5.213 8.885 12.286 1.00 0.00 O ATOM 0 H GLU A 18 4.347 8.763 6.613 1.00 0.00 H new ATOM 0 HA GLU A 18 2.487 7.370 8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.440 9.609 8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.896 9.760 9.648 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.286 7.958 11.049 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.344 7.151 9.907 1.00 0.00 H new ATOM 242 N LYS A 19 0.790 9.438 8.326 1.00 0.00 N ATOM 243 CA LYS A 19 -0.347 10.247 7.902 1.00 0.00 C ATOM 244 C LYS A 19 -0.040 11.734 8.046 1.00 0.00 C ATOM 245 O LYS A 19 0.856 12.124 8.793 1.00 0.00 O ATOM 246 CB LYS A 19 -1.587 9.890 8.724 1.00 0.00 C ATOM 247 CG LYS A 19 -2.881 10.430 8.138 1.00 0.00 C ATOM 248 CD LYS A 19 -4.088 9.661 8.649 1.00 0.00 C ATOM 249 CE LYS A 19 -4.166 8.272 8.032 1.00 0.00 C ATOM 250 NZ LYS A 19 -5.501 7.647 8.241 1.00 0.00 N ATOM 0 H LYS A 19 0.744 9.121 9.294 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.541 10.034 6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.659 8.805 8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.466 10.278 9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.985 11.484 8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.843 10.368 7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.034 9.576 9.734 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.998 10.215 8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.958 8.337 6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.395 7.637 8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.398 6.799 8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.132 8.326 8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.907 7.379 7.322 1.00 0.00 H new ATOM 330 N GLY A 25 -1.205 12.128 2.276 1.00 0.00 N ATOM 331 CA GLY A 25 -0.973 12.962 1.111 1.00 0.00 C ATOM 332 C GLY A 25 -0.787 12.151 -0.155 1.00 0.00 C ATOM 333 O GLY A 25 0.062 12.471 -0.987 1.00 0.00 O ATOM 0 HA2 GLY A 25 -1.814 13.643 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.088 13.576 1.278 1.00 0.00 H new ATOM 337 N PHE A 26 -1.581 11.096 -0.302 1.00 0.00 N ATOM 338 CA PHE A 26 -1.498 10.234 -1.476 1.00 0.00 C ATOM 339 C PHE A 26 -2.839 9.560 -1.751 1.00 0.00 C ATOM 340 O PHE A 26 -3.564 9.194 -0.826 1.00 0.00 O ATOM 341 CB PHE A 26 -0.412 9.174 -1.280 1.00 0.00 C ATOM 342 CG PHE A 26 -0.920 7.902 -0.662 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.823 7.099 -1.340 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.494 7.510 0.597 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.292 5.929 -0.773 1.00 0.00 C ATOM 346 CE2 PHE A 26 -0.959 6.341 1.169 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.859 5.549 0.482 1.00 0.00 C ATOM 0 H PHE A 26 -2.289 10.817 0.377 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.240 10.854 -2.335 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.039 8.945 -2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.376 9.585 -0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.164 7.391 -2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.210 8.125 1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.997 5.312 -1.311 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.620 6.047 2.151 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.223 4.634 0.926 1.00 0.00 H new ATOM 357 N SER A 27 -3.162 9.399 -3.031 1.00 0.00 N ATOM 358 CA SER A 27 -4.418 8.774 -3.429 1.00 0.00 C ATOM 359 C SER A 27 -4.160 7.508 -4.242 1.00 0.00 C ATOM 360 O SER A 27 -3.050 7.285 -4.727 1.00 0.00 O ATOM 361 CB SER A 27 -5.264 9.753 -4.245 1.00 0.00 C ATOM 362 OG SER A 27 -6.494 9.165 -4.631 1.00 0.00 O ATOM 0 H SER A 27 -2.572 9.693 -3.809 1.00 0.00 H new ATOM 0 HA SER A 27 -4.962 8.501 -2.525 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.455 10.651 -3.657 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.712 10.064 -5.132 1.00 0.00 H new ATOM 0 HG SER A 27 -7.017 9.811 -5.150 1.00 0.00 H new ATOM 368 N ILE A 28 -5.192 6.685 -4.386 1.00 0.00 N ATOM 369 CA ILE A 28 -5.079 5.442 -5.140 1.00 0.00 C ATOM 370 C ILE A 28 -6.117 5.380 -6.255 1.00 0.00 C ATOM 371 O ILE A 28 -7.034 6.199 -6.310 1.00 0.00 O ATOM 372 CB ILE A 28 -5.246 4.213 -4.228 1.00 0.00 C ATOM 373 CG1 ILE A 28 -6.074 4.575 -2.993 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.886 3.667 -3.819 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.633 3.373 -2.266 1.00 0.00 C ATOM 0 H ILE A 28 -6.117 6.856 -3.991 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.080 5.427 -5.576 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.775 3.438 -4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.453 5.149 -2.305 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.898 5.222 -3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.021 2.798 -3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.329 3.375 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.332 4.436 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.208 3.705 -1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.280 2.810 -2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.814 2.736 -1.933 1.00 0.00 H new ATOM 387 N ARG A 29 -5.966 4.401 -7.142 1.00 0.00 N ATOM 388 CA ARG A 29 -6.891 4.230 -8.256 1.00 0.00 C ATOM 389 C ARG A 29 -7.028 2.757 -8.628 1.00 0.00 C ATOM 390 O ARG A 29 -6.136 1.953 -8.359 1.00 0.00 O ATOM 391 CB ARG A 29 -6.415 5.032 -9.469 1.00 0.00 C ATOM 392 CG ARG A 29 -5.253 4.388 -10.207 1.00 0.00 C ATOM 393 CD ARG A 29 -5.259 4.753 -11.683 1.00 0.00 C ATOM 394 NE ARG A 29 -4.511 5.979 -11.946 1.00 0.00 N ATOM 395 CZ ARG A 29 -4.214 6.411 -13.167 1.00 0.00 C ATOM 396 NH1 ARG A 29 -4.600 5.719 -14.230 1.00 0.00 N ATOM 397 NH2 ARG A 29 -3.530 7.537 -13.326 1.00 0.00 N ATOM 0 H ARG A 29 -5.212 3.715 -7.111 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.868 4.600 -7.945 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.248 5.158 -10.160 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.119 6.029 -9.142 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.313 4.706 -9.756 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.307 3.305 -10.099 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.829 3.935 -12.261 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.288 4.876 -12.022 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.199 6.534 -11.149 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.126 4.853 -14.111 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.371 6.052 -15.166 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.232 8.072 -12.510 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.303 7.868 -14.264 1.00 0.00 H new ATOM 411 N GLY A 30 -8.152 2.410 -9.249 1.00 0.00 N ATOM 412 CA GLY A 30 -8.385 1.034 -9.647 1.00 0.00 C ATOM 413 C GLY A 30 -8.895 0.179 -8.505 1.00 0.00 C ATOM 414 O GLY A 30 -9.202 0.688 -7.427 1.00 0.00 O ATOM 0 H GLY A 30 -8.905 3.057 -9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.107 1.012 -10.463 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.458 0.608 -10.030 1.00 0.00 H new ATOM 418 N GLY A 31 -8.988 -1.127 -8.740 1.00 0.00 N ATOM 419 CA GLY A 31 -9.467 -2.034 -7.714 1.00 0.00 C ATOM 420 C GLY A 31 -10.409 -3.086 -8.263 1.00 0.00 C ATOM 421 O GLY A 31 -10.820 -3.016 -9.422 1.00 0.00 O ATOM 0 H GLY A 31 -8.740 -1.573 -9.623 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.616 -2.524 -7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.977 -1.463 -6.938 1.00 0.00 H new ATOM 425 N ARG A 32 -10.750 -4.065 -7.432 1.00 0.00 N ATOM 426 CA ARG A 32 -11.647 -5.139 -7.843 1.00 0.00 C ATOM 427 C ARG A 32 -12.966 -4.575 -8.365 1.00 0.00 C ATOM 428 O ARG A 32 -13.720 -5.267 -9.048 1.00 0.00 O ATOM 429 CB ARG A 32 -11.913 -6.086 -6.671 1.00 0.00 C ATOM 430 CG ARG A 32 -10.870 -7.181 -6.525 1.00 0.00 C ATOM 431 CD ARG A 32 -11.061 -8.275 -7.564 1.00 0.00 C ATOM 432 NE ARG A 32 -12.081 -9.240 -7.161 1.00 0.00 N ATOM 433 CZ ARG A 32 -12.163 -10.471 -7.654 1.00 0.00 C ATOM 434 NH1 ARG A 32 -11.290 -10.885 -8.562 1.00 0.00 N ATOM 435 NH2 ARG A 32 -13.120 -11.291 -7.238 1.00 0.00 N ATOM 0 H ARG A 32 -10.419 -4.137 -6.470 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.165 -5.694 -8.648 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.951 -5.507 -5.748 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.893 -6.545 -6.801 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.873 -6.751 -6.626 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.931 -7.612 -5.526 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.343 -7.826 -8.516 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.115 -8.793 -7.724 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.767 -8.953 -6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.553 -10.258 -8.884 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.356 -11.831 -8.939 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.793 -10.976 -6.539 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.182 -12.236 -7.617 1.00 0.00 H new ATOM 449 N GLU A 33 -13.236 -3.315 -8.038 1.00 0.00 N ATOM 450 CA GLU A 33 -14.464 -2.660 -8.473 1.00 0.00 C ATOM 451 C GLU A 33 -14.410 -2.339 -9.964 1.00 0.00 C ATOM 452 O GLU A 33 -15.432 -2.355 -10.651 1.00 0.00 O ATOM 453 CB GLU A 33 -14.696 -1.378 -7.672 1.00 0.00 C ATOM 454 CG GLU A 33 -16.111 -0.836 -7.786 1.00 0.00 C ATOM 455 CD GLU A 33 -17.087 -1.557 -6.877 1.00 0.00 C ATOM 456 OE1 GLU A 33 -17.059 -1.303 -5.655 1.00 0.00 O ATOM 457 OE2 GLU A 33 -17.879 -2.377 -7.389 1.00 0.00 O ATOM 0 H GLU A 33 -12.621 -2.728 -7.474 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.293 -3.345 -8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.473 -1.570 -6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.995 -0.615 -8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.110 0.226 -7.542 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.448 -0.925 -8.819 1.00 0.00 H new ATOM 464 N TYR A 34 -13.212 -2.047 -10.457 1.00 0.00 N ATOM 465 CA TYR A 34 -13.024 -1.718 -11.865 1.00 0.00 C ATOM 466 C TYR A 34 -12.297 -2.844 -12.595 1.00 0.00 C ATOM 467 O TYR A 34 -11.941 -2.713 -13.766 1.00 0.00 O ATOM 468 CB TYR A 34 -12.238 -0.414 -12.006 1.00 0.00 C ATOM 469 CG TYR A 34 -12.689 0.671 -11.054 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.894 1.334 -11.247 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.910 1.033 -9.962 1.00 0.00 C ATOM 472 CE1 TYR A 34 -14.311 2.326 -10.381 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.319 2.022 -9.089 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.520 2.666 -9.303 1.00 0.00 C ATOM 475 OH TYR A 34 -13.931 3.654 -8.437 1.00 0.00 O ATOM 0 H TYR A 34 -12.356 -2.031 -9.902 1.00 0.00 H new ATOM 0 HA TYR A 34 -14.008 -1.592 -12.316 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.180 -0.617 -11.837 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.334 -0.051 -13.029 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.516 1.069 -12.089 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.968 0.532 -9.793 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.250 2.832 -10.547 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.702 2.290 -8.244 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.261 3.770 -7.732 1.00 0.00 H new ATOM 485 N LYS A 35 -12.081 -3.952 -11.894 1.00 0.00 N ATOM 486 CA LYS A 35 -11.399 -5.103 -12.473 1.00 0.00 C ATOM 487 C LYS A 35 -9.955 -4.761 -12.823 1.00 0.00 C ATOM 488 O LYS A 35 -9.449 -5.159 -13.872 1.00 0.00 O ATOM 489 CB LYS A 35 -12.138 -5.584 -13.724 1.00 0.00 C ATOM 490 CG LYS A 35 -13.606 -5.891 -13.483 1.00 0.00 C ATOM 491 CD LYS A 35 -14.473 -4.658 -13.676 1.00 0.00 C ATOM 492 CE LYS A 35 -15.945 -5.024 -13.791 1.00 0.00 C ATOM 493 NZ LYS A 35 -16.792 -3.833 -14.076 1.00 0.00 N ATOM 0 H LYS A 35 -12.369 -4.077 -10.923 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.395 -5.902 -11.731 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.057 -4.822 -14.499 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.646 -6.479 -14.105 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.931 -6.676 -14.166 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.737 -6.274 -12.471 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.331 -3.977 -12.837 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.158 -4.127 -14.574 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.075 -5.760 -14.584 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.276 -5.492 -12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.788 -4.124 -14.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.688 -3.141 -13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.493 -3.401 -14.973 1.00 0.00 H new ATOM 507 N MET A 36 -9.295 -4.022 -11.937 1.00 0.00 N ATOM 508 CA MET A 36 -7.907 -3.629 -12.152 1.00 0.00 C ATOM 509 C MET A 36 -7.160 -3.523 -10.827 1.00 0.00 C ATOM 510 O MET A 36 -7.773 -3.490 -9.759 1.00 0.00 O ATOM 511 CB MET A 36 -7.843 -2.293 -12.895 1.00 0.00 C ATOM 512 CG MET A 36 -8.502 -1.147 -12.144 1.00 0.00 C ATOM 513 SD MET A 36 -9.071 0.166 -13.240 1.00 0.00 S ATOM 514 CE MET A 36 -8.034 1.525 -12.708 1.00 0.00 C ATOM 0 H MET A 36 -9.699 -3.683 -11.064 1.00 0.00 H new ATOM 0 HA MET A 36 -7.428 -4.398 -12.758 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.799 -2.041 -13.083 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.324 -2.404 -13.867 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.348 -1.531 -11.573 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.794 -0.734 -11.426 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.694 2.086 -13.579 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.605 2.183 -12.053 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.171 1.135 -12.168 1.00 0.00 H new ATOM 524 N ASP A 37 -5.835 -3.471 -10.902 1.00 0.00 N ATOM 525 CA ASP A 37 -5.004 -3.369 -9.708 1.00 0.00 C ATOM 526 C ASP A 37 -5.103 -1.976 -9.095 1.00 0.00 C ATOM 527 O ASP A 37 -5.679 -1.064 -9.690 1.00 0.00 O ATOM 528 CB ASP A 37 -3.547 -3.690 -10.045 1.00 0.00 C ATOM 529 CG ASP A 37 -3.412 -4.928 -10.909 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.462 -4.794 -12.149 1.00 0.00 O ATOM 531 OD2 ASP A 37 -3.257 -6.032 -10.345 1.00 0.00 O ATOM 0 H ASP A 37 -5.313 -3.498 -11.778 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.367 -4.094 -8.979 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.101 -2.840 -10.561 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.986 -3.832 -9.121 1.00 0.00 H new ATOM 536 N LEU A 38 -4.538 -1.818 -7.903 1.00 0.00 N ATOM 537 CA LEU A 38 -4.562 -0.535 -7.209 1.00 0.00 C ATOM 538 C LEU A 38 -3.281 0.250 -7.470 1.00 0.00 C ATOM 539 O LEU A 38 -2.187 -0.192 -7.117 1.00 0.00 O ATOM 540 CB LEU A 38 -4.745 -0.750 -5.705 1.00 0.00 C ATOM 541 CG LEU A 38 -6.129 -1.220 -5.258 1.00 0.00 C ATOM 542 CD1 LEU A 38 -6.024 -2.068 -4.000 1.00 0.00 C ATOM 543 CD2 LEU A 38 -7.048 -0.029 -5.026 1.00 0.00 C ATOM 0 H LEU A 38 -4.058 -2.562 -7.397 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.404 0.042 -7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.009 -1.482 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.519 0.186 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.557 -1.834 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.019 -2.394 -3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.402 -2.940 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.576 -1.479 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.029 -0.383 -4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.625 0.612 -4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.149 0.538 -5.951 1.00 0.00 H new ATOM 555 N TYR A 39 -3.424 1.417 -8.088 1.00 0.00 N ATOM 556 CA TYR A 39 -2.278 2.264 -8.396 1.00 0.00 C ATOM 557 C TYR A 39 -2.375 3.599 -7.664 1.00 0.00 C ATOM 558 O TYR A 39 -3.420 3.944 -7.111 1.00 0.00 O ATOM 559 CB TYR A 39 -2.185 2.503 -9.905 1.00 0.00 C ATOM 560 CG TYR A 39 -2.528 1.285 -10.732 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.847 0.881 -10.897 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.532 0.537 -11.349 1.00 0.00 C ATOM 563 CE1 TYR A 39 -4.165 -0.231 -11.652 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.841 -0.575 -12.107 1.00 0.00 C ATOM 565 CZ TYR A 39 -3.158 -0.956 -12.255 1.00 0.00 C ATOM 566 OH TYR A 39 -3.469 -2.065 -13.008 1.00 0.00 O ATOM 0 H TYR A 39 -4.322 1.798 -8.386 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.378 1.750 -8.060 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.856 3.318 -10.178 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.174 2.827 -10.152 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.638 1.447 -10.427 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.499 0.831 -11.234 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.196 -0.531 -11.770 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.055 -1.144 -12.582 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.245 -2.875 -12.505 1.00 0.00 H new ATOM 576 N VAL A 40 -1.277 4.348 -7.665 1.00 0.00 N ATOM 577 CA VAL A 40 -1.236 5.646 -7.003 1.00 0.00 C ATOM 578 C VAL A 40 -1.821 6.736 -7.894 1.00 0.00 C ATOM 579 O VAL A 40 -1.153 7.238 -8.799 1.00 0.00 O ATOM 580 CB VAL A 40 0.203 6.034 -6.615 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.232 7.415 -5.978 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.801 4.993 -5.679 1.00 0.00 C ATOM 0 H VAL A 40 -0.404 4.078 -8.117 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.837 5.558 -6.098 1.00 0.00 H new ATOM 0 HB VAL A 40 0.808 6.066 -7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.257 7.671 -5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.153 8.150 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.387 7.415 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.818 5.283 -5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.196 4.927 -4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.818 4.023 -6.176 1.00 0.00 H new ATOM 592 N LEU A 41 -3.072 7.099 -7.632 1.00 0.00 N ATOM 593 CA LEU A 41 -3.748 8.131 -8.410 1.00 0.00 C ATOM 594 C LEU A 41 -2.875 9.375 -8.539 1.00 0.00 C ATOM 595 O LEU A 41 -2.444 9.732 -9.636 1.00 0.00 O ATOM 596 CB LEU A 41 -5.083 8.496 -7.759 1.00 0.00 C ATOM 597 CG LEU A 41 -6.009 9.393 -8.582 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.500 10.826 -8.584 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.134 8.867 -10.004 1.00 0.00 C ATOM 0 H LEU A 41 -3.639 6.694 -6.887 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.934 7.735 -9.408 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.615 7.574 -7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.878 8.993 -6.811 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.998 9.381 -8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.171 11.450 -9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.463 11.200 -7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.501 10.857 -9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.796 9.517 -10.576 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.150 8.849 -10.473 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.545 7.858 -9.984 1.00 0.00 H new ATOM 611 N ARG A 42 -2.618 10.031 -7.412 1.00 0.00 N ATOM 612 CA ARG A 42 -1.796 11.234 -7.399 1.00 0.00 C ATOM 613 C ARG A 42 -1.006 11.340 -6.098 1.00 0.00 C ATOM 614 O ARG A 42 -1.079 10.457 -5.242 1.00 0.00 O ATOM 615 CB ARG A 42 -2.670 12.477 -7.580 1.00 0.00 C ATOM 616 CG ARG A 42 -3.715 12.650 -6.490 1.00 0.00 C ATOM 617 CD ARG A 42 -3.183 13.484 -5.336 1.00 0.00 C ATOM 618 NE ARG A 42 -3.118 14.904 -5.671 1.00 0.00 N ATOM 619 CZ ARG A 42 -2.826 15.855 -4.790 1.00 0.00 C ATOM 620 NH1 ARG A 42 -2.573 15.538 -3.527 1.00 0.00 N ATOM 621 NH2 ARG A 42 -2.787 17.125 -5.171 1.00 0.00 N ATOM 0 H ARG A 42 -2.968 9.749 -6.496 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.091 11.170 -8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.031 13.360 -7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.171 12.421 -8.546 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.602 13.128 -6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.023 11.672 -6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.823 13.346 -4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.189 13.131 -5.061 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.307 15.181 -6.634 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.602 14.563 -3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.349 16.270 -2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.981 17.373 -6.141 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.563 17.854 -4.494 1.00 0.00 H new ATOM 635 N LEU A 43 -0.253 12.424 -5.955 1.00 0.00 N ATOM 636 CA LEU A 43 0.551 12.646 -4.758 1.00 0.00 C ATOM 637 C LEU A 43 0.402 14.079 -4.259 1.00 0.00 C ATOM 638 O LEU A 43 0.221 15.006 -5.049 1.00 0.00 O ATOM 639 CB LEU A 43 2.023 12.344 -5.045 1.00 0.00 C ATOM 640 CG LEU A 43 2.487 10.919 -4.742 1.00 0.00 C ATOM 641 CD1 LEU A 43 3.968 10.762 -5.052 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.205 10.563 -3.289 1.00 0.00 C ATOM 0 H LEU A 43 -0.182 13.164 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 43 0.193 11.972 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.217 12.552 -6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.635 13.035 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 43 1.928 10.233 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.280 9.741 -4.830 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.143 10.974 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.543 11.458 -4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.542 9.545 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.737 11.254 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.134 10.634 -3.098 1.00 0.00 H new ATOM 654 N ALA A 44 0.483 14.254 -2.945 1.00 0.00 N ATOM 655 CA ALA A 44 0.361 15.576 -2.341 1.00 0.00 C ATOM 656 C ALA A 44 1.717 16.270 -2.262 1.00 0.00 C ATOM 657 O ALA A 44 2.644 15.769 -1.626 1.00 0.00 O ATOM 658 CB ALA A 44 -0.261 15.468 -0.957 1.00 0.00 C ATOM 0 H ALA A 44 0.633 13.497 -2.277 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.290 16.179 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.346 16.462 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.252 15.021 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.369 14.844 -0.323 1.00 0.00 H new ATOM 664 N GLU A 45 1.824 17.424 -2.912 1.00 0.00 N ATOM 665 CA GLU A 45 3.068 18.185 -2.915 1.00 0.00 C ATOM 666 C GLU A 45 3.460 18.593 -1.498 1.00 0.00 C ATOM 667 O GLU A 45 4.633 18.831 -1.211 1.00 0.00 O ATOM 668 CB GLU A 45 2.929 19.429 -3.795 1.00 0.00 C ATOM 669 CG GLU A 45 2.003 20.485 -3.215 1.00 0.00 C ATOM 670 CD GLU A 45 1.692 21.594 -4.202 1.00 0.00 C ATOM 671 OE1 GLU A 45 2.578 22.442 -4.439 1.00 0.00 O ATOM 672 OE2 GLU A 45 0.563 21.614 -4.735 1.00 0.00 O ATOM 0 H GLU A 45 1.066 17.852 -3.443 1.00 0.00 H new ATOM 0 HA GLU A 45 3.853 17.547 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.915 19.867 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.557 19.131 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.073 20.013 -2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.461 20.915 -2.324 1.00 0.00 H new ATOM 679 N ASP A 46 2.469 18.673 -0.616 1.00 0.00 N ATOM 680 CA ASP A 46 2.710 19.052 0.771 1.00 0.00 C ATOM 681 C ASP A 46 2.361 17.905 1.716 1.00 0.00 C ATOM 682 O ASP A 46 2.070 18.123 2.891 1.00 0.00 O ATOM 683 CB ASP A 46 1.892 20.293 1.132 1.00 0.00 C ATOM 684 CG ASP A 46 2.515 21.088 2.263 1.00 0.00 C ATOM 685 OD1 ASP A 46 3.743 21.314 2.223 1.00 0.00 O ATOM 686 OD2 ASP A 46 1.775 21.485 3.187 1.00 0.00 O ATOM 0 H ASP A 46 1.492 18.480 -0.837 1.00 0.00 H new ATOM 0 HA ASP A 46 3.770 19.280 0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.797 20.930 0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.884 19.990 1.417 1.00 0.00 H new ATOM 691 N GLY A 47 2.391 16.684 1.192 1.00 0.00 N ATOM 692 CA GLY A 47 2.074 15.521 2.001 1.00 0.00 C ATOM 693 C GLY A 47 3.308 14.730 2.386 1.00 0.00 C ATOM 694 O GLY A 47 4.401 14.949 1.863 1.00 0.00 O ATOM 0 H GLY A 47 2.629 16.479 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.555 15.841 2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.389 14.875 1.451 1.00 0.00 H new ATOM 698 N PRO A 48 3.142 13.785 3.324 1.00 0.00 N ATOM 699 CA PRO A 48 4.240 12.940 3.800 1.00 0.00 C ATOM 700 C PRO A 48 4.708 11.946 2.743 1.00 0.00 C ATOM 701 O PRO A 48 5.860 11.513 2.750 1.00 0.00 O ATOM 702 CB PRO A 48 3.629 12.202 4.994 1.00 0.00 C ATOM 703 CG PRO A 48 2.164 12.189 4.721 1.00 0.00 C ATOM 704 CD PRO A 48 1.867 13.469 3.991 1.00 0.00 C ATOM 0 HA PRO A 48 5.125 13.526 4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.025 11.190 5.079 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.853 12.712 5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.887 11.323 4.119 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.595 12.128 5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.058 13.343 3.272 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.564 14.261 4.676 1.00 0.00 H new ATOM 712 N ALA A 49 3.806 11.589 1.834 1.00 0.00 N ATOM 713 CA ALA A 49 4.128 10.648 0.768 1.00 0.00 C ATOM 714 C ALA A 49 5.175 11.226 -0.178 1.00 0.00 C ATOM 715 O ALA A 49 6.303 10.738 -0.243 1.00 0.00 O ATOM 716 CB ALA A 49 2.870 10.271 -0.001 1.00 0.00 C ATOM 0 H ALA A 49 2.847 11.937 1.815 1.00 0.00 H new ATOM 0 HA ALA A 49 4.545 9.750 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.125 9.568 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.154 9.808 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.429 11.167 -0.438 1.00 0.00 H new ATOM 722 N ILE A 50 4.793 12.268 -0.909 1.00 0.00 N ATOM 723 CA ILE A 50 5.700 12.912 -1.851 1.00 0.00 C ATOM 724 C ILE A 50 7.078 13.120 -1.233 1.00 0.00 C ATOM 725 O ILE A 50 8.073 13.268 -1.943 1.00 0.00 O ATOM 726 CB ILE A 50 5.150 14.271 -2.322 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.648 14.587 -3.734 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.557 15.371 -1.353 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.757 15.548 -4.488 1.00 0.00 C ATOM 0 H ILE A 50 3.863 12.684 -0.867 1.00 0.00 H new ATOM 0 HA ILE A 50 5.787 12.247 -2.710 1.00 0.00 H new ATOM 0 HB ILE A 50 4.062 14.217 -2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.651 15.008 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.727 13.658 -4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.161 16.326 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.158 15.150 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.644 15.427 -1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.171 15.726 -5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.759 15.121 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.698 16.491 -3.945 1.00 0.00 H new ATOM 741 N ARG A 51 7.130 13.128 0.095 1.00 0.00 N ATOM 742 CA ARG A 51 8.386 13.318 0.810 1.00 0.00 C ATOM 743 C ARG A 51 9.102 11.985 1.013 1.00 0.00 C ATOM 744 O ARG A 51 10.331 11.923 1.010 1.00 0.00 O ATOM 745 CB ARG A 51 8.132 13.984 2.163 1.00 0.00 C ATOM 746 CG ARG A 51 7.600 15.403 2.054 1.00 0.00 C ATOM 747 CD ARG A 51 6.974 15.866 3.360 1.00 0.00 C ATOM 748 NE ARG A 51 7.978 16.113 4.391 1.00 0.00 N ATOM 749 CZ ARG A 51 8.826 17.135 4.360 1.00 0.00 C ATOM 750 NH1 ARG A 51 8.790 18.001 3.356 1.00 0.00 N ATOM 751 NH2 ARG A 51 9.712 17.294 5.335 1.00 0.00 N ATOM 0 H ARG A 51 6.316 13.005 0.698 1.00 0.00 H new ATOM 0 HA ARG A 51 9.023 13.966 0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.421 13.381 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.061 13.996 2.732 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.412 16.077 1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.859 15.455 1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.402 16.777 3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.271 15.112 3.712 1.00 0.00 H new ATOM 0 HE ARG A 51 8.031 15.466 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.110 17.883 2.605 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.442 18.785 3.335 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.742 16.631 6.110 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.363 18.079 5.310 1.00 0.00 H new ATOM 765 N ASN A 52 8.324 10.922 1.188 1.00 0.00 N ATOM 766 CA ASN A 52 8.884 9.591 1.394 1.00 0.00 C ATOM 767 C ASN A 52 9.804 9.204 0.240 1.00 0.00 C ATOM 768 O ASN A 52 10.980 8.904 0.443 1.00 0.00 O ATOM 769 CB ASN A 52 7.763 8.560 1.535 1.00 0.00 C ATOM 770 CG ASN A 52 8.119 7.229 0.901 1.00 0.00 C ATOM 771 OD1 ASN A 52 9.109 6.598 1.271 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.310 6.795 -0.058 1.00 0.00 N ATOM 0 H ASN A 52 7.305 10.956 1.191 1.00 0.00 H new ATOM 0 HA ASN A 52 9.470 9.608 2.313 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.543 8.409 2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.855 8.948 1.073 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.498 5.905 -0.520 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.500 7.351 -0.333 1.00 0.00 H new ATOM 779 N GLY A 53 9.260 9.214 -0.973 1.00 0.00 N ATOM 780 CA GLY A 53 10.045 8.863 -2.142 1.00 0.00 C ATOM 781 C GLY A 53 9.866 7.413 -2.546 1.00 0.00 C ATOM 782 O GLY A 53 9.542 7.118 -3.697 1.00 0.00 O ATOM 0 H GLY A 53 8.289 9.459 -1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.760 9.507 -2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.099 9.053 -1.939 1.00 0.00 H new ATOM 786 N ARG A 54 10.079 6.505 -1.599 1.00 0.00 N ATOM 787 CA ARG A 54 9.942 5.078 -1.864 1.00 0.00 C ATOM 788 C ARG A 54 8.793 4.813 -2.832 1.00 0.00 C ATOM 789 O ARG A 54 8.819 3.844 -3.590 1.00 0.00 O ATOM 790 CB ARG A 54 9.710 4.316 -0.558 1.00 0.00 C ATOM 791 CG ARG A 54 10.950 4.209 0.314 1.00 0.00 C ATOM 792 CD ARG A 54 10.901 2.977 1.204 1.00 0.00 C ATOM 793 NE ARG A 54 11.502 1.812 0.558 1.00 0.00 N ATOM 794 CZ ARG A 54 11.850 0.709 1.210 1.00 0.00 C ATOM 795 NH1 ARG A 54 11.658 0.620 2.519 1.00 0.00 N ATOM 796 NH2 ARG A 54 12.391 -0.309 0.553 1.00 0.00 N ATOM 0 H ARG A 54 10.347 6.732 -0.641 1.00 0.00 H new ATOM 0 HA ARG A 54 10.867 4.728 -2.322 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.921 4.812 0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.353 3.313 -0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.838 4.168 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.040 5.102 0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.423 3.183 2.138 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.865 2.756 1.460 1.00 0.00 H new ATOM 0 HE ARG A 54 11.663 1.848 -0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.242 1.400 3.028 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.926 -0.229 3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.540 -0.245 -0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.658 -1.156 1.055 1.00 0.00 H new ATOM 810 N MET A 55 7.787 5.680 -2.800 1.00 0.00 N ATOM 811 CA MET A 55 6.629 5.539 -3.675 1.00 0.00 C ATOM 812 C MET A 55 6.431 6.792 -4.521 1.00 0.00 C ATOM 813 O MET A 55 6.964 7.856 -4.205 1.00 0.00 O ATOM 814 CB MET A 55 5.370 5.263 -2.850 1.00 0.00 C ATOM 815 CG MET A 55 4.705 6.521 -2.317 1.00 0.00 C ATOM 816 SD MET A 55 3.515 7.222 -3.476 1.00 0.00 S ATOM 817 CE MET A 55 1.983 6.974 -2.581 1.00 0.00 C ATOM 0 H MET A 55 7.750 6.487 -2.178 1.00 0.00 H new ATOM 0 HA MET A 55 6.810 4.696 -4.342 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.655 4.717 -3.465 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.629 4.616 -2.012 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.200 6.291 -1.379 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.470 7.265 -2.093 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.140 7.191 -3.236 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.923 5.940 -2.243 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.954 7.640 -1.719 1.00 0.00 H new ATOM 827 N ARG A 56 5.664 6.659 -5.598 1.00 0.00 N ATOM 828 CA ARG A 56 5.398 7.781 -6.491 1.00 0.00 C ATOM 829 C ARG A 56 4.095 7.570 -7.255 1.00 0.00 C ATOM 830 O ARG A 56 3.373 6.602 -7.018 1.00 0.00 O ATOM 831 CB ARG A 56 6.556 7.963 -7.474 1.00 0.00 C ATOM 832 CG ARG A 56 7.638 8.905 -6.974 1.00 0.00 C ATOM 833 CD ARG A 56 8.748 8.150 -6.259 1.00 0.00 C ATOM 834 NE ARG A 56 9.825 7.770 -7.169 1.00 0.00 N ATOM 835 CZ ARG A 56 10.634 6.737 -6.960 1.00 0.00 C ATOM 836 NH1 ARG A 56 10.487 5.984 -5.879 1.00 0.00 N ATOM 837 NH2 ARG A 56 11.592 6.456 -7.834 1.00 0.00 N ATOM 0 H ARG A 56 5.216 5.785 -5.874 1.00 0.00 H new ATOM 0 HA ARG A 56 5.301 8.681 -5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.001 6.990 -7.682 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.164 8.342 -8.418 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.056 9.459 -7.814 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.199 9.637 -6.296 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.151 8.771 -5.459 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.336 7.256 -5.792 1.00 0.00 H new ATOM 0 HE ARG A 56 9.964 8.328 -8.011 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.751 6.197 -5.205 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.109 5.192 -5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.708 7.033 -8.667 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.213 5.663 -7.673 1.00 0.00 H new ATOM 851 N VAL A 57 3.799 8.484 -8.174 1.00 0.00 N ATOM 852 CA VAL A 57 2.584 8.399 -8.974 1.00 0.00 C ATOM 853 C VAL A 57 2.803 7.545 -10.218 1.00 0.00 C ATOM 854 O VAL A 57 3.812 7.681 -10.908 1.00 0.00 O ATOM 855 CB VAL A 57 2.095 9.795 -9.404 1.00 0.00 C ATOM 856 CG1 VAL A 57 0.772 9.693 -10.148 1.00 0.00 C ATOM 857 CG2 VAL A 57 1.967 10.709 -8.195 1.00 0.00 C ATOM 0 H VAL A 57 4.385 9.292 -8.383 1.00 0.00 H new ATOM 0 HA VAL A 57 1.825 7.934 -8.346 1.00 0.00 H new ATOM 0 HB VAL A 57 2.832 10.226 -10.081 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.443 10.689 -10.443 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.901 9.075 -11.037 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.023 9.241 -9.498 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.621 11.691 -8.516 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.251 10.284 -7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.938 10.808 -7.709 1.00 0.00 H new ATOM 867 N GLY A 58 1.849 6.662 -10.499 1.00 0.00 N ATOM 868 CA GLY A 58 1.957 5.798 -11.660 1.00 0.00 C ATOM 869 C GLY A 58 2.449 4.409 -11.305 1.00 0.00 C ATOM 870 O GLY A 58 2.726 3.597 -12.188 1.00 0.00 O ATOM 0 H GLY A 58 1.004 6.530 -9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.984 5.722 -12.145 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.638 6.248 -12.382 1.00 0.00 H new ATOM 874 N ASP A 59 2.559 4.135 -10.010 1.00 0.00 N ATOM 875 CA ASP A 59 3.022 2.834 -9.540 1.00 0.00 C ATOM 876 C ASP A 59 1.849 1.879 -9.343 1.00 0.00 C ATOM 877 O ASP A 59 0.710 2.309 -9.165 1.00 0.00 O ATOM 878 CB ASP A 59 3.797 2.987 -8.230 1.00 0.00 C ATOM 879 CG ASP A 59 5.023 3.866 -8.382 1.00 0.00 C ATOM 880 OD1 ASP A 59 5.788 3.654 -9.346 1.00 0.00 O ATOM 881 OD2 ASP A 59 5.218 4.764 -7.537 1.00 0.00 O ATOM 0 H ASP A 59 2.334 4.796 -9.267 1.00 0.00 H new ATOM 0 HA ASP A 59 3.684 2.416 -10.298 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.141 3.412 -7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.101 2.003 -7.874 1.00 0.00 H new ATOM 886 N GLN A 60 2.137 0.582 -9.379 1.00 0.00 N ATOM 887 CA GLN A 60 1.106 -0.434 -9.206 1.00 0.00 C ATOM 888 C GLN A 60 1.254 -1.137 -7.861 1.00 0.00 C ATOM 889 O GLN A 60 2.194 -1.905 -7.651 1.00 0.00 O ATOM 890 CB GLN A 60 1.173 -1.458 -10.341 1.00 0.00 C ATOM 891 CG GLN A 60 -0.061 -2.341 -10.439 1.00 0.00 C ATOM 892 CD GLN A 60 0.061 -3.607 -9.615 1.00 0.00 C ATOM 893 OE1 GLN A 60 -0.762 -3.721 -8.579 1.00 0.00 O flip ATOM 894 NE2 GLN A 60 0.885 -4.474 -9.906 1.00 0.00 N flip ATOM 0 H GLN A 60 3.075 0.210 -9.526 1.00 0.00 H new ATOM 0 HA GLN A 60 0.136 0.062 -9.231 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.309 -0.932 -11.286 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.050 -2.089 -10.198 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.933 -1.778 -10.106 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.232 -2.606 -11.482 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.498 -4.345 -10.711 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.955 -5.321 -9.342 1.00 0.00 H new ATOM 903 N ILE A 61 0.321 -0.871 -6.954 1.00 0.00 N ATOM 904 CA ILE A 61 0.348 -1.479 -5.629 1.00 0.00 C ATOM 905 C ILE A 61 -0.254 -2.880 -5.655 1.00 0.00 C ATOM 906 O ILE A 61 -1.295 -3.108 -6.272 1.00 0.00 O ATOM 907 CB ILE A 61 -0.417 -0.623 -4.602 1.00 0.00 C ATOM 908 CG1 ILE A 61 0.003 0.844 -4.713 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.172 -1.144 -3.193 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.081 1.816 -4.304 1.00 0.00 C ATOM 0 H ILE A 61 -0.463 -0.238 -7.112 1.00 0.00 H new ATOM 0 HA ILE A 61 1.395 -1.541 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.484 -0.693 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.882 1.010 -4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.297 1.052 -5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.719 -0.530 -2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.515 -2.176 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.894 -1.100 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.713 2.837 -4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.953 1.678 -4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.359 1.635 -3.266 1.00 0.00 H new ATOM 922 N ILE A 62 0.408 -3.814 -4.981 1.00 0.00 N ATOM 923 CA ILE A 62 -0.063 -5.192 -4.924 1.00 0.00 C ATOM 924 C ILE A 62 -0.411 -5.596 -3.496 1.00 0.00 C ATOM 925 O ILE A 62 -1.244 -6.474 -3.274 1.00 0.00 O ATOM 926 CB ILE A 62 0.989 -6.170 -5.481 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.393 -5.579 -5.336 1.00 0.00 C ATOM 928 CG2 ILE A 62 0.693 -6.494 -6.937 1.00 0.00 C ATOM 929 CD1 ILE A 62 2.742 -4.579 -6.415 1.00 0.00 C ATOM 0 H ILE A 62 1.272 -3.642 -4.467 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.959 -5.245 -5.542 1.00 0.00 H new ATOM 0 HB ILE A 62 0.943 -7.095 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.476 -5.095 -4.363 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.123 -6.389 -5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.445 -7.186 -7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.293 -6.952 -7.015 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.715 -5.577 -7.526 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.751 -4.202 -6.249 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.692 -5.064 -7.390 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.035 -3.750 -6.385 1.00 0.00 H new ATOM 941 N GLU A 63 0.233 -4.948 -2.530 1.00 0.00 N ATOM 942 CA GLU A 63 -0.009 -5.240 -1.122 1.00 0.00 C ATOM 943 C GLU A 63 -0.259 -3.956 -0.336 1.00 0.00 C ATOM 944 O GLU A 63 0.453 -2.965 -0.502 1.00 0.00 O ATOM 945 CB GLU A 63 1.179 -5.995 -0.523 1.00 0.00 C ATOM 946 CG GLU A 63 0.794 -6.942 0.601 1.00 0.00 C ATOM 947 CD GLU A 63 0.369 -8.306 0.094 1.00 0.00 C ATOM 948 OE1 GLU A 63 0.406 -8.521 -1.136 1.00 0.00 O ATOM 949 OE2 GLU A 63 -0.001 -9.160 0.928 1.00 0.00 O ATOM 0 H GLU A 63 0.926 -4.218 -2.697 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.899 -5.866 -1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.673 -6.562 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.905 -5.274 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.639 -7.058 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.020 -6.503 1.178 1.00 0.00 H new ATOM 956 N ILE A 64 -1.275 -3.982 0.520 1.00 0.00 N ATOM 957 CA ILE A 64 -1.619 -2.821 1.332 1.00 0.00 C ATOM 958 C ILE A 64 -1.823 -3.213 2.792 1.00 0.00 C ATOM 959 O ILE A 64 -2.646 -4.071 3.105 1.00 0.00 O ATOM 960 CB ILE A 64 -2.894 -2.129 0.815 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.589 -1.335 -0.457 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.476 -1.220 1.887 1.00 0.00 C ATOM 963 CD1 ILE A 64 -3.825 -0.806 -1.150 1.00 0.00 C ATOM 0 H ILE A 64 -1.874 -4.794 0.669 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.783 -2.125 1.258 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.633 -2.894 0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.937 -0.498 -0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.038 -1.971 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.377 -0.738 1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.726 -1.810 2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.743 -0.459 2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.533 -0.254 -2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.468 -1.639 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.366 -0.143 -0.474 1.00 0.00 H new ATOM 975 N ASN A 65 -1.069 -2.575 3.681 1.00 0.00 N ATOM 976 CA ASN A 65 -1.168 -2.855 5.109 1.00 0.00 C ATOM 977 C ASN A 65 -1.145 -4.358 5.371 1.00 0.00 C ATOM 978 O ASN A 65 -1.788 -4.847 6.298 1.00 0.00 O ATOM 979 CB ASN A 65 -2.449 -2.246 5.682 1.00 0.00 C ATOM 980 CG ASN A 65 -2.271 -0.793 6.079 1.00 0.00 C ATOM 981 OD1 ASN A 65 -1.165 -0.356 6.397 1.00 0.00 O ATOM 982 ND2 ASN A 65 -3.363 -0.038 6.063 1.00 0.00 N ATOM 0 H ASN A 65 -0.383 -1.861 3.438 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.307 -2.404 5.603 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.247 -2.323 4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.764 -2.822 6.552 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.306 0.947 6.321 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.259 -0.443 5.792 1.00 0.00 H new ATOM 1072 N MET A 72 -9.242 -6.853 -3.665 1.00 0.00 N ATOM 1073 CA MET A 72 -9.799 -5.721 -2.934 1.00 0.00 C ATOM 1074 C MET A 72 -10.201 -4.602 -3.889 1.00 0.00 C ATOM 1075 O MET A 72 -9.560 -4.389 -4.918 1.00 0.00 O ATOM 1076 CB MET A 72 -8.787 -5.197 -1.913 1.00 0.00 C ATOM 1077 CG MET A 72 -7.985 -6.295 -1.233 1.00 0.00 C ATOM 1078 SD MET A 72 -7.345 -5.793 0.376 1.00 0.00 S ATOM 1079 CE MET A 72 -6.624 -4.204 -0.027 1.00 0.00 C ATOM 0 HA MET A 72 -10.690 -6.064 -2.408 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.101 -4.513 -2.412 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.315 -4.621 -1.153 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.614 -7.176 -1.110 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.154 -6.584 -1.876 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.736 -4.042 0.583 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.348 -4.187 -1.081 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.349 -3.415 0.171 1.00 0.00 H new ATOM 1089 N THR A 73 -11.268 -3.888 -3.542 1.00 0.00 N ATOM 1090 CA THR A 73 -11.756 -2.792 -4.369 1.00 0.00 C ATOM 1091 C THR A 73 -11.139 -1.465 -3.944 1.00 0.00 C ATOM 1092 O THR A 73 -10.532 -1.364 -2.877 1.00 0.00 O ATOM 1093 CB THR A 73 -13.291 -2.676 -4.299 1.00 0.00 C ATOM 1094 OG1 THR A 73 -13.711 -2.538 -2.937 1.00 0.00 O ATOM 1095 CG2 THR A 73 -13.954 -3.898 -4.918 1.00 0.00 C ATOM 0 H THR A 73 -11.810 -4.050 -2.693 1.00 0.00 H new ATOM 0 HA THR A 73 -11.461 -3.015 -5.394 1.00 0.00 H new ATOM 0 HB THR A 73 -13.593 -1.793 -4.862 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.688 -2.463 -2.902 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.037 -3.794 -4.857 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.656 -3.984 -5.963 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.645 -4.793 -4.378 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.296 -0.447 -4.785 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.755 0.875 -4.494 1.00 0.00 C ATOM 1105 C HIS A 74 -11.225 1.368 -3.129 1.00 0.00 C ATOM 1106 O HIS A 74 -10.577 2.207 -2.505 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.171 1.869 -5.579 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.308 3.092 -5.634 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.453 4.073 -6.592 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.285 3.490 -4.842 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.556 5.021 -6.388 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.835 4.692 -5.332 1.00 0.00 N ATOM 0 H HIS A 74 -11.793 -0.513 -5.673 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.668 0.799 -4.478 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.142 1.370 -6.548 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.204 2.171 -5.407 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.895 2.961 -3.985 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.433 5.913 -6.984 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.068 5.241 -4.943 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.355 0.839 -2.672 1.00 0.00 N ATOM 1122 CA ALA A 75 -12.911 1.224 -1.380 1.00 0.00 C ATOM 1123 C ALA A 75 -12.109 0.616 -0.235 1.00 0.00 C ATOM 1124 O ALA A 75 -11.693 1.319 0.686 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.370 0.804 -1.287 1.00 0.00 C ATOM 0 H ALA A 75 -12.904 0.143 -3.177 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.851 2.309 -1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.772 1.098 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.940 1.291 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.445 -0.278 -1.398 1.00 0.00 H new ATOM 1131 N ARG A 76 -11.896 -0.694 -0.298 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.145 -1.397 0.736 1.00 0.00 C ATOM 1133 C ARG A 76 -9.836 -0.676 1.042 1.00 0.00 C ATOM 1134 O ARG A 76 -9.558 -0.335 2.192 1.00 0.00 O ATOM 1135 CB ARG A 76 -10.858 -2.835 0.299 1.00 0.00 C ATOM 1136 CG ARG A 76 -10.041 -3.626 1.308 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.565 -3.433 2.722 1.00 0.00 C ATOM 1138 NE ARG A 76 -10.328 -4.608 3.558 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.956 -4.831 4.707 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.854 -3.964 5.154 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -10.686 -5.923 5.411 1.00 0.00 N ATOM 0 H ARG A 76 -12.233 -1.290 -1.054 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.751 -1.414 1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.804 -3.349 0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.327 -2.818 -0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.068 -4.685 1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.998 -3.313 1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.083 -2.565 3.172 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.634 -3.222 2.687 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.643 -5.294 3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.064 -3.124 4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.335 -4.137 6.037 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.996 -6.592 5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.169 -6.093 6.293 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.036 -0.446 0.006 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.758 0.235 0.164 1.00 0.00 C ATOM 1157 C ALA A 77 -7.930 1.562 0.897 1.00 0.00 C ATOM 1158 O ALA A 77 -7.219 1.845 1.862 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.108 0.461 -1.193 1.00 0.00 C ATOM 0 H ALA A 77 -9.251 -0.722 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.108 -0.401 0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.154 0.971 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.941 -0.499 -1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.763 1.074 -1.813 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.876 2.370 0.433 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.141 3.666 1.045 1.00 0.00 C ATOM 1167 C ILE A 78 -9.549 3.511 2.506 1.00 0.00 C ATOM 1168 O ILE A 78 -9.500 4.467 3.279 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.247 4.429 0.292 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.898 4.544 -1.193 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.449 5.808 0.902 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.105 5.786 -1.533 1.00 0.00 C ATOM 0 H ILE A 78 -9.472 2.150 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.214 4.237 0.988 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.179 3.872 0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.327 3.665 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.819 4.540 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.234 6.335 0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.738 5.704 1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.520 6.374 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.893 5.801 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.682 6.671 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.167 5.782 -0.978 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.951 2.300 2.877 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.367 2.019 4.246 1.00 0.00 C ATOM 1186 C GLU A 79 -9.207 1.457 5.063 1.00 0.00 C ATOM 1187 O GLU A 79 -9.100 1.708 6.264 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.537 1.033 4.255 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.539 0.102 5.455 1.00 0.00 C ATOM 1190 CD GLU A 79 -12.937 -0.313 5.870 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -13.838 0.551 5.867 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -13.129 -1.503 6.198 1.00 0.00 O ATOM 0 H GLU A 79 -9.998 1.498 2.249 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.688 2.956 4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.472 1.592 4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.506 0.437 3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.955 -0.788 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.047 0.595 6.293 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.342 0.694 4.403 1.00 0.00 N ATOM 1200 CA LEU A 80 -7.190 0.095 5.067 1.00 0.00 C ATOM 1201 C LEU A 80 -6.166 1.159 5.448 1.00 0.00 C ATOM 1202 O LEU A 80 -5.559 1.097 6.517 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.541 -0.952 4.160 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.399 -2.172 3.823 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.564 -3.235 3.126 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -8.042 -2.736 5.081 1.00 0.00 C ATOM 0 H LEU A 80 -8.417 0.476 3.409 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.539 -0.389 5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.252 -0.467 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.624 -1.298 4.637 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.192 -1.859 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.191 -4.096 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.152 -2.827 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.750 -3.545 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.649 -3.604 4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.265 -3.034 5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.674 -1.975 5.539 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.981 2.136 4.566 1.00 0.00 N ATOM 1219 CA ILE A 81 -5.033 3.216 4.812 1.00 0.00 C ATOM 1220 C ILE A 81 -5.379 3.971 6.091 1.00 0.00 C ATOM 1221 O ILE A 81 -4.496 4.467 6.791 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.995 4.210 3.636 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.755 3.468 2.320 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.916 5.259 3.863 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.360 4.159 1.118 1.00 0.00 C ATOM 0 H ILE A 81 -6.474 2.202 3.676 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.051 2.756 4.920 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.959 4.715 3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.682 3.359 2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.170 2.463 2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.902 5.954 3.023 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.127 5.805 4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.945 4.770 3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.151 3.577 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.438 4.244 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.927 5.154 1.014 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.671 4.055 6.390 1.00 0.00 N ATOM 1238 CA LYS A 82 -7.136 4.747 7.586 1.00 0.00 C ATOM 1239 C LYS A 82 -7.385 3.761 8.723 1.00 0.00 C ATOM 1240 O LYS A 82 -7.516 4.155 9.882 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.418 5.527 7.284 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.254 4.915 6.173 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.505 5.734 5.902 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.173 7.048 5.212 1.00 0.00 C ATOM 1245 NZ LYS A 82 -9.940 8.145 6.192 1.00 0.00 N ATOM 0 H LYS A 82 -7.415 3.652 5.820 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.358 5.445 7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.020 5.585 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.156 6.549 7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.658 4.847 5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.536 3.898 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.190 5.158 5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.020 5.935 6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.285 6.919 4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.989 7.324 4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.688 8.861 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.954 7.757 7.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.015 8.584 6.009 1.00 0.00 H new ATOM 1259 N SER A 83 -7.449 2.477 8.384 1.00 0.00 N ATOM 1260 CA SER A 83 -7.684 1.435 9.376 1.00 0.00 C ATOM 1261 C SER A 83 -6.405 1.117 10.145 1.00 0.00 C ATOM 1262 O SER A 83 -6.447 0.758 11.321 1.00 0.00 O ATOM 1263 CB SER A 83 -8.215 0.169 8.701 1.00 0.00 C ATOM 1264 OG SER A 83 -8.508 -0.835 9.657 1.00 0.00 O ATOM 0 H SER A 83 -7.341 2.134 7.430 1.00 0.00 H new ATOM 0 HA SER A 83 -8.429 1.802 10.082 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.114 0.406 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.477 -0.205 7.991 1.00 0.00 H new ATOM 0 HG SER A 83 -8.847 -1.633 9.200 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.268 1.253 9.470 1.00 0.00 N ATOM 1271 CA GLY A 84 -3.992 0.977 10.104 1.00 0.00 C ATOM 1272 C GLY A 84 -3.624 2.016 11.145 1.00 0.00 C ATOM 1273 O GLY A 84 -3.009 1.696 12.161 1.00 0.00 O ATOM 0 H GLY A 84 -5.208 1.549 8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.028 -0.006 10.574 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.213 0.938 9.343 1.00 0.00 H new ATOM 1277 N GLY A 85 -4.001 3.265 10.890 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.697 4.336 11.821 1.00 0.00 C ATOM 1279 C GLY A 85 -2.998 5.504 11.153 1.00 0.00 C ATOM 1280 O GLY A 85 -3.473 6.027 10.146 1.00 0.00 O ATOM 0 H GLY A 85 -4.511 3.554 10.056 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.621 4.685 12.283 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.067 3.949 12.622 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.867 5.915 11.717 1.00 0.00 N ATOM 1285 CA ARG A 86 -1.102 7.030 11.172 1.00 0.00 C ATOM 1286 C ARG A 86 0.024 6.529 10.272 1.00 0.00 C ATOM 1287 O ARG A 86 0.571 7.284 9.467 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.525 7.882 12.303 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.412 9.052 12.698 1.00 0.00 C ATOM 1290 CD ARG A 86 -1.137 9.502 14.125 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.774 10.781 14.427 1.00 0.00 N ATOM 1292 CZ ARG A 86 -1.286 11.955 14.041 1.00 0.00 C ATOM 1293 NH1 ARG A 86 -0.161 12.011 13.341 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -1.923 13.075 14.355 1.00 0.00 N ATOM 0 H ARG A 86 -1.460 5.492 12.551 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.777 7.642 10.574 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.362 7.250 13.176 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.450 8.263 11.999 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.245 9.884 12.014 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.459 8.765 12.601 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.498 8.744 14.820 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.061 9.588 14.277 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.641 10.773 14.964 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.332 11.152 13.098 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.212 12.913 13.046 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.788 13.036 14.893 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.547 13.976 14.058 1.00 0.00 H new ATOM 1308 N ARG A 87 0.365 5.253 10.415 1.00 0.00 N ATOM 1309 CA ARG A 87 1.427 4.652 9.616 1.00 0.00 C ATOM 1310 C ARG A 87 0.859 3.624 8.642 1.00 0.00 C ATOM 1311 O ARG A 87 0.125 2.718 9.037 1.00 0.00 O ATOM 1312 CB ARG A 87 2.465 3.990 10.525 1.00 0.00 C ATOM 1313 CG ARG A 87 2.901 4.865 11.689 1.00 0.00 C ATOM 1314 CD ARG A 87 3.605 4.052 12.764 1.00 0.00 C ATOM 1315 NE ARG A 87 4.978 3.722 12.389 1.00 0.00 N ATOM 1316 CZ ARG A 87 5.956 4.618 12.317 1.00 0.00 C ATOM 1317 NH1 ARG A 87 5.713 5.892 12.593 1.00 0.00 N ATOM 1318 NH2 ARG A 87 7.179 4.241 11.970 1.00 0.00 N ATOM 0 H ARG A 87 -0.078 4.615 11.076 1.00 0.00 H new ATOM 0 HA ARG A 87 1.908 5.444 9.042 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.053 3.059 10.915 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.340 3.727 9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.568 5.647 11.327 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.031 5.362 12.118 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.609 4.613 13.698 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.048 3.133 12.947 1.00 0.00 H new ATOM 0 HE ARG A 87 5.198 2.750 12.170 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.774 6.186 12.861 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.465 6.578 12.537 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.370 3.262 11.758 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.929 4.930 11.915 1.00 0.00 H new ATOM 1332 N VAL A 88 1.203 3.772 7.367 1.00 0.00 N ATOM 1333 CA VAL A 88 0.729 2.856 6.336 1.00 0.00 C ATOM 1334 C VAL A 88 1.894 2.226 5.582 1.00 0.00 C ATOM 1335 O VAL A 88 2.887 2.891 5.286 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.192 3.573 5.330 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.579 4.636 4.563 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.823 2.568 4.377 1.00 0.00 C ATOM 0 H VAL A 88 1.808 4.517 7.023 1.00 0.00 H new ATOM 0 HA VAL A 88 0.164 2.074 6.843 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.991 4.067 5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.088 5.131 3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.979 5.371 5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.400 4.169 4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.470 3.091 3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.039 2.044 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.412 1.848 4.945 1.00 0.00 H new ATOM 1348 N ARG A 89 1.766 0.940 5.273 1.00 0.00 N ATOM 1349 CA ARG A 89 2.809 0.219 4.554 1.00 0.00 C ATOM 1350 C ARG A 89 2.214 -0.610 3.420 1.00 0.00 C ATOM 1351 O ARG A 89 1.365 -1.473 3.647 1.00 0.00 O ATOM 1352 CB ARG A 89 3.585 -0.688 5.511 1.00 0.00 C ATOM 1353 CG ARG A 89 4.506 -1.671 4.807 1.00 0.00 C ATOM 1354 CD ARG A 89 4.655 -2.960 5.598 1.00 0.00 C ATOM 1355 NE ARG A 89 3.664 -3.960 5.208 1.00 0.00 N ATOM 1356 CZ ARG A 89 3.774 -5.253 5.492 1.00 0.00 C ATOM 1357 NH1 ARG A 89 4.825 -5.701 6.164 1.00 0.00 N ATOM 1358 NH2 ARG A 89 2.830 -6.101 5.103 1.00 0.00 N ATOM 0 H ARG A 89 0.950 0.376 5.510 1.00 0.00 H new ATOM 0 HA ARG A 89 3.492 0.952 4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.176 -0.069 6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.877 -1.243 6.126 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.111 -1.895 3.816 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.486 -1.215 4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.656 -3.364 5.447 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.554 -2.746 6.662 1.00 0.00 H new ATOM 0 HE ARG A 89 2.843 -3.648 4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.552 -5.052 6.465 1.00 0.00 H new ATOM 0 HH12 ARG A 89 4.906 -6.694 6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 89 2.020 -5.760 4.586 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.915 -7.094 5.321 1.00 0.00 H new ATOM 1372 N LEU A 90 2.664 -0.342 2.199 1.00 0.00 N ATOM 1373 CA LEU A 90 2.176 -1.063 1.028 1.00 0.00 C ATOM 1374 C LEU A 90 3.327 -1.433 0.098 1.00 0.00 C ATOM 1375 O LEU A 90 4.328 -0.721 0.017 1.00 0.00 O ATOM 1376 CB LEU A 90 1.149 -0.217 0.275 1.00 0.00 C ATOM 1377 CG LEU A 90 1.279 1.298 0.437 1.00 0.00 C ATOM 1378 CD1 LEU A 90 0.870 2.009 -0.843 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.440 1.784 1.611 1.00 0.00 C ATOM 0 H LEU A 90 3.366 0.369 1.994 1.00 0.00 H new ATOM 0 HA LEU A 90 1.700 -1.982 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.219 -0.456 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.153 -0.513 0.604 1.00 0.00 H new ATOM 0 HG LEU A 90 2.324 1.533 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.969 3.086 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.513 1.685 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.166 1.767 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.545 2.864 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.607 1.536 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.781 1.300 2.527 1.00 0.00 H new ATOM 1391 N LEU A 91 3.177 -2.551 -0.604 1.00 0.00 N ATOM 1392 CA LEU A 91 4.202 -3.015 -1.532 1.00 0.00 C ATOM 1393 C LEU A 91 4.080 -2.308 -2.878 1.00 0.00 C ATOM 1394 O LEU A 91 3.001 -2.262 -3.471 1.00 0.00 O ATOM 1395 CB LEU A 91 4.095 -4.529 -1.726 1.00 0.00 C ATOM 1396 CG LEU A 91 5.340 -5.225 -2.275 1.00 0.00 C ATOM 1397 CD1 LEU A 91 5.105 -6.723 -2.396 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.732 -4.635 -3.621 1.00 0.00 C ATOM 0 H LEU A 91 2.355 -3.153 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 91 5.177 -2.777 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.844 -4.981 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.263 -4.731 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 91 6.161 -5.062 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.002 -7.202 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.874 -7.136 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.270 -6.907 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.620 -5.143 -3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.913 -4.766 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.944 -3.572 -3.505 1.00 0.00 H new ATOM 1410 N LEU A 92 5.191 -1.760 -3.356 1.00 0.00 N ATOM 1411 CA LEU A 92 5.210 -1.057 -4.634 1.00 0.00 C ATOM 1412 C LEU A 92 6.503 -1.339 -5.392 1.00 0.00 C ATOM 1413 O LEU A 92 7.543 -1.606 -4.790 1.00 0.00 O ATOM 1414 CB LEU A 92 5.053 0.448 -4.412 1.00 0.00 C ATOM 1415 CG LEU A 92 4.523 1.250 -5.601 1.00 0.00 C ATOM 1416 CD1 LEU A 92 3.040 0.984 -5.806 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.776 2.737 -5.398 1.00 0.00 C ATOM 0 H LEU A 92 6.091 -1.789 -2.878 1.00 0.00 H new ATOM 0 HA LEU A 92 4.374 -1.419 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.382 0.602 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.023 0.856 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 92 5.056 0.930 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.681 1.563 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.884 -0.078 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.491 1.275 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.392 3.292 -6.254 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.270 3.072 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.847 2.914 -5.302 1.00 0.00 H new