USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 526 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 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 16 LYS NZ :NH3+ -174:sc= 0.459 (180deg=0) USER MOD Set 2.2: A 39 THR OG1 : rot 35:sc= 1.03 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00477) USER MOD Single : A 18 MET CE :methyl 142:sc= -2.3 (180deg=-5.32!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.38! C(o=-3.4!,f=-7!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -5.68! C(o=-5.7!,f=-5.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.942 X(o=-0.94,f=-0.72) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -140:sc= 1.05 USER MOD Single : A 63 SER OG : rot -129:sc= 0.199 USER MOD Single : A 67 HIS : no HD1:sc= -0.785 K(o=-0.79,f=-1.9) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.428 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -133:sc= 1.74 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 80 GLN : amide:sc= -0.0707 X(o=-0.071,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 15.073 0.448 -0.870 1.00 0.00 N ATOM 158 CA PHE A 14 13.848 -0.343 -0.858 1.00 0.00 C ATOM 159 C PHE A 14 14.147 -1.804 -0.531 1.00 0.00 C ATOM 160 O PHE A 14 15.304 -2.221 -0.510 1.00 0.00 O ATOM 161 CB PHE A 14 13.140 -0.246 -2.210 1.00 0.00 C ATOM 162 CG PHE A 14 12.442 1.065 -2.429 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.129 2.261 -2.300 1.00 0.00 C ATOM 164 CD2 PHE A 14 11.097 1.102 -2.763 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.490 3.470 -2.501 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.453 2.308 -2.965 1.00 0.00 C ATOM 167 CZ PHE A 14 11.149 3.493 -2.833 1.00 0.00 C ATOM 0 HA PHE A 14 13.194 0.058 -0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.870 -0.397 -3.005 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.412 -1.053 -2.289 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.177 2.249 -2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.547 0.179 -2.866 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.038 4.395 -2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.405 2.323 -3.226 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.646 4.436 -2.989 1.00 0.00 H new ATOM 177 N GLN A 15 13.094 -2.574 -0.275 1.00 0.00 N ATOM 178 CA GLN A 15 13.243 -3.987 0.053 1.00 0.00 C ATOM 179 C GLN A 15 12.159 -4.820 -0.623 1.00 0.00 C ATOM 180 O GLN A 15 11.163 -4.284 -1.110 1.00 0.00 O ATOM 181 CB GLN A 15 13.189 -4.189 1.568 1.00 0.00 C ATOM 182 CG GLN A 15 14.264 -3.425 2.323 1.00 0.00 C ATOM 183 CD GLN A 15 13.897 -3.180 3.773 1.00 0.00 C ATOM 184 OE1 GLN A 15 13.023 -2.368 4.076 1.00 0.00 O ATOM 185 NE2 GLN A 15 14.565 -3.884 4.680 1.00 0.00 N ATOM 0 H GLN A 15 12.129 -2.243 -0.288 1.00 0.00 H new ATOM 0 HA GLN A 15 14.213 -4.320 -0.316 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.210 -3.878 1.933 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.288 -5.252 1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.200 -3.982 2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.439 -2.469 1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 15 15.282 -4.547 4.385 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.361 -3.762 5.672 1.00 0.00 H new ATOM 194 N LYS A 16 12.359 -6.133 -0.649 1.00 0.00 N ATOM 195 CA LYS A 16 11.398 -7.041 -1.264 1.00 0.00 C ATOM 196 C LYS A 16 10.409 -7.569 -0.229 1.00 0.00 C ATOM 197 O LYS A 16 10.701 -7.598 0.966 1.00 0.00 O ATOM 198 CB LYS A 16 12.126 -8.210 -1.931 1.00 0.00 C ATOM 199 CG LYS A 16 12.653 -7.886 -3.318 1.00 0.00 C ATOM 200 CD LYS A 16 13.777 -8.826 -3.721 1.00 0.00 C ATOM 201 CE LYS A 16 15.062 -8.513 -2.969 1.00 0.00 C ATOM 202 NZ LYS A 16 15.911 -7.536 -3.705 1.00 0.00 N ATOM 0 H LYS A 16 13.178 -6.592 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 16 10.844 -6.486 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.958 -8.518 -1.298 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.446 -9.059 -1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.841 -7.956 -4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.012 -6.857 -3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.480 -9.856 -3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.953 -8.746 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.819 -8.113 -1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.623 -9.434 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.820 -7.426 -3.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.080 -7.882 -4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.426 -6.617 -3.746 1.00 0.00 H new ATOM 216 N LYS A 17 9.237 -7.986 -0.697 1.00 0.00 N ATOM 217 CA LYS A 17 8.205 -8.515 0.187 1.00 0.00 C ATOM 218 C LYS A 17 7.717 -7.443 1.156 1.00 0.00 C ATOM 219 O LYS A 17 7.257 -7.751 2.255 1.00 0.00 O ATOM 220 CB LYS A 17 8.740 -9.718 0.967 1.00 0.00 C ATOM 221 CG LYS A 17 9.592 -10.656 0.130 1.00 0.00 C ATOM 222 CD LYS A 17 9.948 -11.919 0.896 1.00 0.00 C ATOM 223 CE LYS A 17 10.600 -12.954 -0.009 1.00 0.00 C ATOM 224 NZ LYS A 17 9.600 -13.657 -0.858 1.00 0.00 N ATOM 0 H LYS A 17 8.978 -7.968 -1.683 1.00 0.00 H new ATOM 0 HA LYS A 17 7.363 -8.834 -0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.330 -9.360 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.899 -10.276 1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.055 -10.921 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.505 -10.145 -0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.625 -11.671 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.048 -12.341 1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.338 -12.466 -0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.136 -13.682 0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.077 -14.389 -1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.881 -14.101 -0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.142 -12.973 -1.494 1.00 0.00 H new ATOM 238 N MET A 18 7.818 -6.185 0.741 1.00 0.00 N ATOM 239 CA MET A 18 7.384 -5.068 1.572 1.00 0.00 C ATOM 240 C MET A 18 6.189 -4.357 0.946 1.00 0.00 C ATOM 241 O MET A 18 5.801 -4.651 -0.185 1.00 0.00 O ATOM 242 CB MET A 18 8.533 -4.079 1.775 1.00 0.00 C ATOM 243 CG MET A 18 8.691 -3.088 0.633 1.00 0.00 C ATOM 244 SD MET A 18 9.881 -1.785 1.003 1.00 0.00 S ATOM 245 CE MET A 18 9.582 -0.658 -0.356 1.00 0.00 C ATOM 0 H MET A 18 8.197 -5.913 -0.166 1.00 0.00 H new ATOM 0 HA MET A 18 7.081 -5.465 2.541 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.369 -3.529 2.702 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.463 -4.635 1.894 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.008 -3.621 -0.264 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.723 -2.638 0.411 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.655 0.369 0.001 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.324 -0.825 -1.137 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.585 -0.832 -0.760 1.00 0.00 H new ATOM 255 N LYS A 19 5.609 -3.419 1.687 1.00 0.00 N ATOM 256 CA LYS A 19 4.459 -2.664 1.205 1.00 0.00 C ATOM 257 C LYS A 19 4.839 -1.214 0.924 1.00 0.00 C ATOM 258 O LYS A 19 5.689 -0.641 1.607 1.00 0.00 O ATOM 259 CB LYS A 19 3.323 -2.715 2.230 1.00 0.00 C ATOM 260 CG LYS A 19 2.671 -4.082 2.347 1.00 0.00 C ATOM 261 CD LYS A 19 2.089 -4.538 1.019 1.00 0.00 C ATOM 262 CE LYS A 19 1.189 -5.752 1.192 1.00 0.00 C ATOM 263 NZ LYS A 19 1.960 -7.025 1.149 1.00 0.00 N ATOM 0 H LYS A 19 5.917 -3.163 2.625 1.00 0.00 H new ATOM 0 HA LYS A 19 4.121 -3.120 0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.711 -2.422 3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.564 -1.982 1.956 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.407 -4.809 2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.882 -4.047 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.520 -3.723 0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.898 -4.779 0.330 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.660 -5.680 2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.433 -5.759 0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.311 -7.828 1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.444 -7.107 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.664 -7.030 1.914 1.00 0.00 H new ATOM 277 N LEU A 20 4.204 -0.626 -0.084 1.00 0.00 N ATOM 278 CA LEU A 20 4.475 0.759 -0.454 1.00 0.00 C ATOM 279 C LEU A 20 3.371 1.308 -1.353 1.00 0.00 C ATOM 280 O LEU A 20 2.860 0.605 -2.223 1.00 0.00 O ATOM 281 CB LEU A 20 5.825 0.863 -1.164 1.00 0.00 C ATOM 282 CG LEU A 20 5.788 0.787 -2.691 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.655 2.178 -3.292 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.035 0.093 -3.221 1.00 0.00 C ATOM 0 H LEU A 20 3.499 -1.086 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 20 4.505 1.354 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.291 1.806 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.469 0.064 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 20 4.917 0.201 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.630 2.104 -4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.733 2.640 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.506 2.788 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.992 0.048 -4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.920 0.652 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.088 -0.918 -2.818 1.00 0.00 H new ATOM 296 N GLU A 21 3.011 2.569 -1.136 1.00 0.00 N ATOM 297 CA GLU A 21 1.969 3.212 -1.928 1.00 0.00 C ATOM 298 C GLU A 21 2.527 3.714 -3.257 1.00 0.00 C ATOM 299 O GLU A 21 3.390 4.591 -3.290 1.00 0.00 O ATOM 300 CB GLU A 21 1.351 4.376 -1.150 1.00 0.00 C ATOM 301 CG GLU A 21 0.625 3.947 0.113 1.00 0.00 C ATOM 302 CD GLU A 21 -0.032 5.109 0.832 1.00 0.00 C ATOM 303 OE1 GLU A 21 -0.190 6.179 0.210 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.390 4.946 2.018 1.00 0.00 O ATOM 0 H GLU A 21 3.425 3.165 -0.419 1.00 0.00 H new ATOM 0 HA GLU A 21 1.197 2.471 -2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.137 5.083 -0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.653 4.905 -1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.133 3.207 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.331 3.461 0.786 1.00 0.00 H new ATOM 311 N VAL A 22 2.028 3.149 -4.352 1.00 0.00 N ATOM 312 CA VAL A 22 2.475 3.538 -5.685 1.00 0.00 C ATOM 313 C VAL A 22 1.391 4.313 -6.424 1.00 0.00 C ATOM 314 O VAL A 22 0.209 3.974 -6.349 1.00 0.00 O ATOM 315 CB VAL A 22 2.875 2.309 -6.523 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.312 2.733 -7.917 1.00 0.00 C ATOM 317 CG2 VAL A 22 3.976 1.525 -5.826 1.00 0.00 C ATOM 0 H VAL A 22 1.314 2.420 -4.343 1.00 0.00 H new ATOM 0 HA VAL A 22 3.347 4.178 -5.552 1.00 0.00 H new ATOM 0 HB VAL A 22 2.005 1.660 -6.622 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.591 1.852 -8.495 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.491 3.248 -8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.168 3.403 -7.842 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.246 0.660 -6.432 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.850 2.163 -5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.622 1.189 -4.851 1.00 0.00 H new ATOM 327 N VAL A 23 1.799 5.356 -7.139 1.00 0.00 N ATOM 328 CA VAL A 23 0.863 6.180 -7.894 1.00 0.00 C ATOM 329 C VAL A 23 0.493 5.519 -9.217 1.00 0.00 C ATOM 330 O VAL A 23 1.341 5.340 -10.092 1.00 0.00 O ATOM 331 CB VAL A 23 1.445 7.578 -8.176 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.499 8.384 -9.053 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.730 8.309 -6.872 1.00 0.00 C ATOM 0 H VAL A 23 2.773 5.651 -7.211 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.032 6.285 -7.280 1.00 0.00 H new ATOM 0 HB VAL A 23 2.386 7.459 -8.713 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.927 9.368 -9.241 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.351 7.866 -10.000 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.460 8.496 -8.547 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.141 9.295 -7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.805 8.418 -6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.449 7.738 -6.285 1.00 0.00 H new ATOM 343 N ASP A 24 -0.778 5.159 -9.358 1.00 0.00 N ATOM 344 CA ASP A 24 -1.261 4.519 -10.576 1.00 0.00 C ATOM 345 C ASP A 24 -0.898 5.346 -11.805 1.00 0.00 C ATOM 346 O ASP A 24 -1.366 6.472 -11.970 1.00 0.00 O ATOM 347 CB ASP A 24 -2.776 4.322 -10.507 1.00 0.00 C ATOM 348 CG ASP A 24 -3.243 3.133 -11.324 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.384 2.338 -11.759 1.00 0.00 O ATOM 350 OD2 ASP A 24 -4.468 2.997 -11.526 1.00 0.00 O ATOM 0 H ASP A 24 -1.492 5.300 -8.644 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.779 3.545 -10.661 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.075 4.185 -9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.273 5.223 -10.865 1.00 0.00 H new ATOM 355 N LYS A 25 -0.058 4.780 -12.666 1.00 0.00 N ATOM 356 CA LYS A 25 0.369 5.463 -13.881 1.00 0.00 C ATOM 357 C LYS A 25 -0.833 5.982 -14.664 1.00 0.00 C ATOM 358 O LYS A 25 -0.948 7.181 -14.921 1.00 0.00 O ATOM 359 CB LYS A 25 1.194 4.519 -14.758 1.00 0.00 C ATOM 360 CG LYS A 25 2.086 3.578 -13.968 1.00 0.00 C ATOM 361 CD LYS A 25 2.860 4.318 -12.889 1.00 0.00 C ATOM 362 CE LYS A 25 4.050 5.066 -13.471 1.00 0.00 C ATOM 363 NZ LYS A 25 4.427 6.242 -12.639 1.00 0.00 N ATOM 0 H LYS A 25 0.341 3.849 -12.544 1.00 0.00 H new ATOM 0 HA LYS A 25 0.987 6.313 -13.592 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.519 3.930 -15.379 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.812 5.111 -15.433 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.478 2.797 -13.511 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.784 3.084 -14.644 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.199 5.021 -12.383 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.207 3.609 -12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.901 4.389 -13.550 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.812 5.398 -14.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.242 6.725 -13.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.624 6.900 -12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.679 5.923 -11.682 1.00 0.00 H new ATOM 377 N ARG A 26 -1.726 5.073 -15.040 1.00 0.00 N ATOM 378 CA ARG A 26 -2.919 5.439 -15.793 1.00 0.00 C ATOM 379 C ARG A 26 -3.729 6.497 -15.049 1.00 0.00 C ATOM 380 O ARG A 26 -4.396 7.328 -15.663 1.00 0.00 O ATOM 381 CB ARG A 26 -3.786 4.205 -16.050 1.00 0.00 C ATOM 382 CG ARG A 26 -4.065 3.387 -14.800 1.00 0.00 C ATOM 383 CD ARG A 26 -4.245 1.913 -15.127 1.00 0.00 C ATOM 384 NE ARG A 26 -5.392 1.683 -16.003 1.00 0.00 N ATOM 385 CZ ARG A 26 -5.632 0.526 -16.609 1.00 0.00 C ATOM 386 NH1 ARG A 26 -4.811 -0.501 -16.436 1.00 0.00 N ATOM 387 NH2 ARG A 26 -6.697 0.394 -17.391 1.00 0.00 N ATOM 0 H ARG A 26 -1.646 4.077 -14.835 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.600 5.855 -16.749 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.734 4.521 -16.486 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.292 3.571 -16.786 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.243 3.506 -14.095 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.963 3.764 -14.310 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.342 1.535 -15.606 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.376 1.350 -14.203 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.043 2.453 -16.157 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.992 -0.404 -15.836 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.999 -1.388 -16.903 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.331 1.181 -17.526 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.881 -0.495 -17.856 1.00 0.00 H new ATOM 401 N ASN A 27 -3.666 6.457 -13.722 1.00 0.00 N ATOM 402 CA ASN A 27 -4.394 7.412 -12.893 1.00 0.00 C ATOM 403 C ASN A 27 -3.485 8.006 -11.822 1.00 0.00 C ATOM 404 O ASN A 27 -3.330 7.459 -10.730 1.00 0.00 O ATOM 405 CB ASN A 27 -5.598 6.734 -12.237 1.00 0.00 C ATOM 406 CG ASN A 27 -6.251 5.710 -13.146 1.00 0.00 C ATOM 407 OD1 ASN A 27 -6.154 5.798 -14.370 1.00 0.00 O ATOM 408 ND2 ASN A 27 -6.922 4.732 -12.548 1.00 0.00 N ATOM 0 H ASN A 27 -3.119 5.774 -13.198 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.745 8.220 -13.535 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.280 6.247 -11.315 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.332 7.491 -11.961 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.383 4.014 -13.107 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.976 4.699 -11.530 1.00 0.00 H new ATOM 415 N PRO A 28 -2.869 9.155 -12.140 1.00 0.00 N ATOM 416 CA PRO A 28 -1.966 9.850 -11.218 1.00 0.00 C ATOM 417 C PRO A 28 -2.705 10.460 -10.032 1.00 0.00 C ATOM 418 O PRO A 28 -2.088 11.006 -9.118 1.00 0.00 O ATOM 419 CB PRO A 28 -1.349 10.949 -12.086 1.00 0.00 C ATOM 420 CG PRO A 28 -2.353 11.192 -13.160 1.00 0.00 C ATOM 421 CD PRO A 28 -3.007 9.863 -13.423 1.00 0.00 C ATOM 0 HA PRO A 28 -1.233 9.173 -10.778 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.162 11.853 -11.507 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.392 10.634 -12.502 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.088 11.934 -12.847 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.875 11.577 -14.061 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.053 9.979 -13.707 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.514 9.326 -14.233 1.00 0.00 H new ATOM 429 N MET A 29 -4.031 10.364 -10.053 1.00 0.00 N ATOM 430 CA MET A 29 -4.854 10.905 -8.978 1.00 0.00 C ATOM 431 C MET A 29 -5.350 9.793 -8.060 1.00 0.00 C ATOM 432 O MET A 29 -6.232 10.008 -7.228 1.00 0.00 O ATOM 433 CB MET A 29 -6.043 11.675 -9.556 1.00 0.00 C ATOM 434 CG MET A 29 -5.644 12.931 -10.313 1.00 0.00 C ATOM 435 SD MET A 29 -6.972 13.565 -11.355 1.00 0.00 S ATOM 436 CE MET A 29 -6.630 12.712 -12.893 1.00 0.00 C ATOM 0 H MET A 29 -4.558 9.916 -10.803 1.00 0.00 H new ATOM 0 HA MET A 29 -4.239 11.588 -8.391 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.600 11.019 -10.225 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.717 11.949 -8.744 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.347 13.701 -9.601 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.773 12.716 -10.932 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.369 13.000 -13.641 1.00 0.00 H new ATOM 0 HE2 MET A 29 -5.634 12.981 -13.244 1.00 0.00 H new ATOM 0 HE3 MET A 29 -6.679 11.635 -12.731 1.00 0.00 H new ATOM 446 N PHE A 30 -4.779 8.603 -8.217 1.00 0.00 N ATOM 447 CA PHE A 30 -5.165 7.456 -7.403 1.00 0.00 C ATOM 448 C PHE A 30 -3.934 6.698 -6.914 1.00 0.00 C ATOM 449 O PHE A 30 -3.031 6.391 -7.693 1.00 0.00 O ATOM 450 CB PHE A 30 -6.071 6.518 -8.203 1.00 0.00 C ATOM 451 CG PHE A 30 -7.481 7.018 -8.338 1.00 0.00 C ATOM 452 CD1 PHE A 30 -8.439 6.693 -7.392 1.00 0.00 C ATOM 453 CD2 PHE A 30 -7.848 7.814 -9.412 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.738 7.152 -7.514 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.144 8.276 -9.538 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.090 7.943 -8.589 1.00 0.00 C ATOM 0 H PHE A 30 -4.047 8.408 -8.900 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.712 7.825 -6.535 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.647 6.377 -9.197 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.085 5.541 -7.721 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.169 6.074 -6.549 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.113 8.076 -10.158 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.476 6.892 -6.769 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.417 8.897 -10.378 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.104 8.301 -8.688 1.00 0.00 H new ATOM 466 N ILE A 31 -3.906 6.401 -5.619 1.00 0.00 N ATOM 467 CA ILE A 31 -2.788 5.678 -5.026 1.00 0.00 C ATOM 468 C ILE A 31 -3.272 4.469 -4.233 1.00 0.00 C ATOM 469 O ILE A 31 -4.248 4.554 -3.487 1.00 0.00 O ATOM 470 CB ILE A 31 -1.959 6.587 -4.099 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.383 7.766 -4.886 1.00 0.00 C ATOM 472 CG2 ILE A 31 -0.844 5.792 -3.436 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.064 8.969 -4.026 1.00 0.00 C ATOM 0 H ILE A 31 -4.644 6.650 -4.961 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.159 5.340 -5.849 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.613 6.979 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.475 7.443 -5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.095 8.060 -5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.267 6.448 -2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.275 4.983 -2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.190 5.375 -4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.660 9.766 -4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.973 9.318 -3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.329 8.692 -3.271 1.00 0.00 H new ATOM 485 N ARG A 32 -2.583 3.345 -4.398 1.00 0.00 N ATOM 486 CA ARG A 32 -2.943 2.118 -3.698 1.00 0.00 C ATOM 487 C ARG A 32 -1.699 1.402 -3.181 1.00 0.00 C ATOM 488 O ARG A 32 -0.579 1.706 -3.593 1.00 0.00 O ATOM 489 CB ARG A 32 -3.732 1.190 -4.623 1.00 0.00 C ATOM 490 CG ARG A 32 -5.135 1.686 -4.931 1.00 0.00 C ATOM 491 CD ARG A 32 -6.090 0.530 -5.188 1.00 0.00 C ATOM 492 NE ARG A 32 -7.486 0.962 -5.182 1.00 0.00 N ATOM 493 CZ ARG A 32 -8.085 1.526 -6.224 1.00 0.00 C ATOM 494 NH1 ARG A 32 -7.415 1.724 -7.351 1.00 0.00 N ATOM 495 NH2 ARG A 32 -9.358 1.892 -6.142 1.00 0.00 N ATOM 0 H ARG A 32 -1.772 3.259 -5.011 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.567 2.386 -2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.184 1.071 -5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.797 0.203 -4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.502 2.284 -4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.108 2.338 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.856 0.073 -6.150 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.944 -0.237 -4.427 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.030 0.823 -4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.437 1.443 -7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.878 2.158 -8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.878 1.740 -5.278 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.817 2.325 -6.943 1.00 0.00 H new ATOM 509 N VAL A 33 -1.903 0.450 -2.276 1.00 0.00 N ATOM 510 CA VAL A 33 -0.798 -0.310 -1.703 1.00 0.00 C ATOM 511 C VAL A 33 -0.121 -1.176 -2.760 1.00 0.00 C ATOM 512 O VAL A 33 -0.777 -1.709 -3.654 1.00 0.00 O ATOM 513 CB VAL A 33 -1.275 -1.208 -0.547 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.122 -2.040 -0.006 1.00 0.00 C ATOM 515 CG2 VAL A 33 -1.901 -0.369 0.557 1.00 0.00 C ATOM 0 H VAL A 33 -2.823 0.187 -1.924 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.081 0.415 -1.318 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.035 -1.889 -0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.478 -2.668 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.277 -2.670 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.663 -1.379 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.232 -1.020 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.164 0.338 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.756 0.178 0.158 1.00 0.00 H new ATOM 525 N ALA A 34 1.196 -1.312 -2.649 1.00 0.00 N ATOM 526 CA ALA A 34 1.963 -2.116 -3.593 1.00 0.00 C ATOM 527 C ALA A 34 2.858 -3.113 -2.865 1.00 0.00 C ATOM 528 O ALA A 34 2.977 -3.077 -1.640 1.00 0.00 O ATOM 529 CB ALA A 34 2.795 -1.218 -4.497 1.00 0.00 C ATOM 0 H ALA A 34 1.754 -0.876 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 34 1.260 -2.680 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.363 -1.832 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.136 -0.550 -5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.483 -0.629 -3.891 1.00 0.00 H new ATOM 535 N THR A 35 3.486 -4.003 -3.627 1.00 0.00 N ATOM 536 CA THR A 35 4.369 -5.012 -3.054 1.00 0.00 C ATOM 537 C THR A 35 5.630 -5.179 -3.894 1.00 0.00 C ATOM 538 O THR A 35 5.575 -5.656 -5.027 1.00 0.00 O ATOM 539 CB THR A 35 3.662 -6.375 -2.935 1.00 0.00 C ATOM 540 OG1 THR A 35 2.466 -6.240 -2.158 1.00 0.00 O ATOM 541 CG2 THR A 35 4.577 -7.405 -2.291 1.00 0.00 C ATOM 0 H THR A 35 3.400 -4.046 -4.642 1.00 0.00 H new ATOM 0 HA THR A 35 4.642 -4.664 -2.058 1.00 0.00 H new ATOM 0 HB THR A 35 3.407 -6.716 -3.938 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.021 -7.110 -2.088 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.056 -8.359 -2.218 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.473 -7.527 -2.900 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.859 -7.068 -1.293 1.00 0.00 H new ATOM 549 N VAL A 36 6.767 -4.782 -3.330 1.00 0.00 N ATOM 550 CA VAL A 36 8.044 -4.890 -4.027 1.00 0.00 C ATOM 551 C VAL A 36 8.436 -6.348 -4.232 1.00 0.00 C ATOM 552 O VAL A 36 8.871 -7.022 -3.298 1.00 0.00 O ATOM 553 CB VAL A 36 9.166 -4.171 -3.255 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.431 -4.098 -4.097 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.716 -2.780 -2.833 1.00 0.00 C ATOM 0 H VAL A 36 6.830 -4.383 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 36 7.917 -4.412 -4.998 1.00 0.00 H new ATOM 0 HB VAL A 36 9.389 -4.744 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.213 -3.587 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.762 -5.107 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.225 -3.548 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.521 -2.287 -2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.464 -2.195 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.840 -2.861 -2.190 1.00 0.00 H new ATOM 565 N ALA A 37 8.281 -6.830 -5.461 1.00 0.00 N ATOM 566 CA ALA A 37 8.621 -8.209 -5.790 1.00 0.00 C ATOM 567 C ALA A 37 10.126 -8.372 -5.979 1.00 0.00 C ATOM 568 O ALA A 37 10.721 -9.335 -5.495 1.00 0.00 O ATOM 569 CB ALA A 37 7.879 -8.651 -7.042 1.00 0.00 C ATOM 0 H ALA A 37 7.922 -6.286 -6.245 1.00 0.00 H new ATOM 0 HA ALA A 37 8.315 -8.842 -4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.142 -9.683 -7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.805 -8.580 -6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.158 -8.007 -7.876 1.00 0.00 H new ATOM 575 N ASP A 38 10.735 -7.426 -6.685 1.00 0.00 N ATOM 576 CA ASP A 38 12.170 -7.465 -6.938 1.00 0.00 C ATOM 577 C ASP A 38 12.742 -6.055 -7.046 1.00 0.00 C ATOM 578 O ASP A 38 12.100 -5.152 -7.584 1.00 0.00 O ATOM 579 CB ASP A 38 12.463 -8.247 -8.219 1.00 0.00 C ATOM 580 CG ASP A 38 13.822 -8.920 -8.189 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.227 -9.390 -7.106 1.00 0.00 O ATOM 582 OD2 ASP A 38 14.480 -8.975 -9.249 1.00 0.00 O ATOM 0 H ASP A 38 10.257 -6.622 -7.092 1.00 0.00 H new ATOM 0 HA ASP A 38 12.648 -7.968 -6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.690 -9.002 -8.365 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.414 -7.571 -9.073 1.00 0.00 H new ATOM 587 N THR A 39 13.953 -5.872 -6.530 1.00 0.00 N ATOM 588 CA THR A 39 14.611 -4.571 -6.566 1.00 0.00 C ATOM 589 C THR A 39 15.827 -4.596 -7.485 1.00 0.00 C ATOM 590 O THR A 39 16.797 -5.309 -7.228 1.00 0.00 O ATOM 591 CB THR A 39 15.053 -4.126 -5.160 1.00 0.00 C ATOM 592 OG1 THR A 39 16.024 -5.040 -4.639 1.00 0.00 O ATOM 593 CG2 THR A 39 13.862 -4.052 -4.216 1.00 0.00 C ATOM 0 H THR A 39 14.499 -6.608 -6.082 1.00 0.00 H new ATOM 0 HA THR A 39 13.882 -3.858 -6.952 1.00 0.00 H new ATOM 0 HB THR A 39 15.495 -3.133 -5.240 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.587 -5.371 -5.370 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.199 -3.736 -3.229 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.138 -3.333 -4.600 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.395 -5.034 -4.142 1.00 0.00 H new ATOM 601 N ASP A 40 15.769 -3.812 -8.556 1.00 0.00 N ATOM 602 CA ASP A 40 16.868 -3.742 -9.512 1.00 0.00 C ATOM 603 C ASP A 40 17.902 -2.708 -9.078 1.00 0.00 C ATOM 604 O ASP A 40 17.783 -2.108 -8.009 1.00 0.00 O ATOM 605 CB ASP A 40 16.338 -3.398 -10.905 1.00 0.00 C ATOM 606 CG ASP A 40 17.213 -3.955 -12.011 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.496 -5.171 -11.988 1.00 0.00 O ATOM 608 OD2 ASP A 40 17.614 -3.175 -12.900 1.00 0.00 O ATOM 0 H ASP A 40 14.973 -3.216 -8.784 1.00 0.00 H new ATOM 0 HA ASP A 40 17.351 -4.719 -9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.327 -3.791 -11.013 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.272 -2.315 -11.008 1.00 0.00 H new ATOM 613 N ASP A 41 18.915 -2.506 -9.913 1.00 0.00 N ATOM 614 CA ASP A 41 19.971 -1.544 -9.615 1.00 0.00 C ATOM 615 C ASP A 41 19.383 -0.239 -9.086 1.00 0.00 C ATOM 616 O ASP A 41 19.666 0.169 -7.959 1.00 0.00 O ATOM 617 CB ASP A 41 20.808 -1.271 -10.865 1.00 0.00 C ATOM 618 CG ASP A 41 22.102 -0.547 -10.548 1.00 0.00 C ATOM 619 OD1 ASP A 41 22.132 0.204 -9.551 1.00 0.00 O ATOM 620 OD2 ASP A 41 23.084 -0.730 -11.298 1.00 0.00 O ATOM 0 H ASP A 41 19.028 -2.995 -10.801 1.00 0.00 H new ATOM 0 HA ASP A 41 20.612 -1.972 -8.844 1.00 0.00 H new ATOM 0 HB2 ASP A 41 21.035 -2.215 -11.360 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.224 -0.675 -11.567 1.00 0.00 H new ATOM 625 N HIS A 42 18.566 0.412 -9.907 1.00 0.00 N ATOM 626 CA HIS A 42 17.939 1.672 -9.522 1.00 0.00 C ATOM 627 C HIS A 42 16.433 1.624 -9.760 1.00 0.00 C ATOM 628 O HIS A 42 15.800 2.652 -10.000 1.00 0.00 O ATOM 629 CB HIS A 42 18.555 2.832 -10.304 1.00 0.00 C ATOM 630 CG HIS A 42 19.989 2.611 -10.674 1.00 0.00 C ATOM 631 ND1 HIS A 42 21.040 3.187 -9.991 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.545 1.871 -11.661 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.180 2.812 -10.543 1.00 0.00 C ATOM 634 NE2 HIS A 42 21.907 2.012 -11.558 1.00 0.00 N ATOM 0 H HIS A 42 18.322 0.088 -10.843 1.00 0.00 H new ATOM 0 HA HIS A 42 18.116 1.828 -8.458 1.00 0.00 H new ATOM 0 HB2 HIS A 42 17.975 2.995 -11.212 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.478 3.742 -9.709 1.00 0.00 H new ATOM 0 HD2 HIS A 42 20.016 1.279 -12.394 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.167 3.109 -10.220 1.00 0.00 H new ATOM 0 HE2 HIS A 42 22.596 1.571 -12.167 1.00 0.00 H new ATOM 643 N ARG A 43 15.866 0.424 -9.693 1.00 0.00 N ATOM 644 CA ARG A 43 14.435 0.243 -9.903 1.00 0.00 C ATOM 645 C ARG A 43 13.875 -0.813 -8.955 1.00 0.00 C ATOM 646 O ARG A 43 14.626 -1.516 -8.278 1.00 0.00 O ATOM 647 CB ARG A 43 14.158 -0.160 -11.353 1.00 0.00 C ATOM 648 CG ARG A 43 14.725 0.812 -12.374 1.00 0.00 C ATOM 649 CD ARG A 43 14.049 0.655 -13.728 1.00 0.00 C ATOM 650 NE ARG A 43 14.735 -0.319 -14.573 1.00 0.00 N ATOM 651 CZ ARG A 43 15.950 -0.129 -15.076 1.00 0.00 C ATOM 652 NH1 ARG A 43 16.609 0.992 -14.820 1.00 0.00 N ATOM 653 NH2 ARG A 43 16.507 -1.063 -15.836 1.00 0.00 N ATOM 0 H ARG A 43 16.376 -0.437 -9.495 1.00 0.00 H new ATOM 0 HA ARG A 43 13.940 1.192 -9.695 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.579 -1.149 -11.533 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.081 -0.240 -11.499 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.594 1.834 -12.017 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.797 0.646 -12.480 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.015 0.344 -13.583 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.023 1.620 -14.234 1.00 0.00 H new ATOM 0 HE ARG A 43 14.255 -1.193 -14.789 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.184 1.712 -14.235 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.542 1.135 -15.207 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.002 -1.927 -16.034 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.440 -0.917 -16.222 1.00 0.00 H new ATOM 667 N VAL A 44 12.551 -0.919 -8.910 1.00 0.00 N ATOM 668 CA VAL A 44 11.890 -1.889 -8.045 1.00 0.00 C ATOM 669 C VAL A 44 10.522 -2.276 -8.597 1.00 0.00 C ATOM 670 O VAL A 44 9.637 -1.432 -8.740 1.00 0.00 O ATOM 671 CB VAL A 44 11.718 -1.341 -6.616 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.072 -1.172 -5.943 1.00 0.00 C ATOM 673 CG2 VAL A 44 10.957 -0.025 -6.638 1.00 0.00 C ATOM 0 H VAL A 44 11.915 -0.345 -9.463 1.00 0.00 H new ATOM 0 HA VAL A 44 12.529 -2.772 -8.014 1.00 0.00 H new ATOM 0 HB VAL A 44 11.138 -2.060 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.931 -0.784 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.577 -2.137 -5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.680 -0.474 -6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.845 0.347 -5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.508 0.704 -7.232 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.972 -0.182 -7.078 1.00 0.00 H new ATOM 683 N LYS A 45 10.356 -3.557 -8.905 1.00 0.00 N ATOM 684 CA LYS A 45 9.095 -4.058 -9.440 1.00 0.00 C ATOM 685 C LYS A 45 7.988 -3.973 -8.394 1.00 0.00 C ATOM 686 O LYS A 45 7.980 -4.728 -7.421 1.00 0.00 O ATOM 687 CB LYS A 45 9.256 -5.505 -9.911 1.00 0.00 C ATOM 688 CG LYS A 45 8.185 -5.949 -10.892 1.00 0.00 C ATOM 689 CD LYS A 45 8.616 -7.182 -11.669 1.00 0.00 C ATOM 690 CE LYS A 45 7.835 -7.324 -12.966 1.00 0.00 C ATOM 691 NZ LYS A 45 8.402 -8.388 -13.841 1.00 0.00 N ATOM 0 H LYS A 45 11.079 -4.268 -8.794 1.00 0.00 H new ATOM 0 HA LYS A 45 8.817 -3.435 -10.290 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.234 -5.619 -10.378 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.238 -6.165 -9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.262 -6.162 -10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.968 -5.138 -11.587 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.682 -7.120 -11.890 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.468 -8.070 -11.055 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.794 -7.556 -12.740 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.841 -6.374 -13.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.842 -8.454 -14.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.387 -8.154 -14.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.373 -9.300 -13.342 1.00 0.00 H new ATOM 705 N VAL A 46 7.054 -3.051 -8.601 1.00 0.00 N ATOM 706 CA VAL A 46 5.940 -2.869 -7.678 1.00 0.00 C ATOM 707 C VAL A 46 4.685 -3.570 -8.186 1.00 0.00 C ATOM 708 O VAL A 46 4.147 -3.220 -9.237 1.00 0.00 O ATOM 709 CB VAL A 46 5.629 -1.377 -7.460 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.701 -0.728 -6.598 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.500 -0.660 -8.796 1.00 0.00 C ATOM 0 H VAL A 46 7.046 -2.418 -9.401 1.00 0.00 H new ATOM 0 HA VAL A 46 6.241 -3.312 -6.728 1.00 0.00 H new ATOM 0 HB VAL A 46 4.677 -1.295 -6.936 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.464 0.326 -6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.740 -1.226 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.669 -0.819 -7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.280 0.394 -8.624 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.435 -0.750 -9.349 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.692 -1.109 -9.374 1.00 0.00 H new ATOM 721 N HIS A 47 4.222 -4.562 -7.432 1.00 0.00 N ATOM 722 CA HIS A 47 3.028 -5.313 -7.805 1.00 0.00 C ATOM 723 C HIS A 47 1.837 -4.903 -6.942 1.00 0.00 C ATOM 724 O HIS A 47 1.944 -4.818 -5.719 1.00 0.00 O ATOM 725 CB HIS A 47 3.280 -6.814 -7.667 1.00 0.00 C ATOM 726 CG HIS A 47 2.032 -7.639 -7.730 1.00 0.00 C ATOM 727 ND1 HIS A 47 1.663 -8.364 -8.844 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.065 -7.854 -6.806 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.523 -8.987 -8.604 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.139 -8.694 -7.374 1.00 0.00 N ATOM 0 H HIS A 47 4.655 -4.865 -6.559 1.00 0.00 H new ATOM 0 HA HIS A 47 2.796 -5.086 -8.846 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.958 -7.134 -8.458 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.784 -7.004 -6.719 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.029 -7.442 -5.808 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.005 -9.627 -9.295 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.708 -9.036 -6.920 1.00 0.00 H new ATOM 739 N PHE A 48 0.704 -4.651 -7.589 1.00 0.00 N ATOM 740 CA PHE A 48 -0.506 -4.249 -6.881 1.00 0.00 C ATOM 741 C PHE A 48 -1.301 -5.469 -6.427 1.00 0.00 C ATOM 742 O PHE A 48 -1.557 -6.384 -7.210 1.00 0.00 O ATOM 743 CB PHE A 48 -1.376 -3.364 -7.776 1.00 0.00 C ATOM 744 CG PHE A 48 -0.857 -1.961 -7.917 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.402 -1.723 -8.443 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.630 -0.880 -7.524 1.00 0.00 C ATOM 747 CE1 PHE A 48 0.882 -0.433 -8.574 1.00 0.00 C ATOM 748 CE2 PHE A 48 -1.156 0.412 -7.653 1.00 0.00 C ATOM 749 CZ PHE A 48 0.102 0.635 -8.178 1.00 0.00 C ATOM 0 H PHE A 48 0.598 -4.718 -8.601 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.209 -3.682 -5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.446 -3.818 -8.764 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.386 -3.330 -7.368 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.016 -2.555 -8.755 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.614 -1.049 -7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.866 -0.261 -8.985 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.768 1.246 -7.344 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.475 1.644 -8.279 1.00 0.00 H new ATOM 759 N ASP A 49 -1.689 -5.476 -5.156 1.00 0.00 N ATOM 760 CA ASP A 49 -2.455 -6.583 -4.596 1.00 0.00 C ATOM 761 C ASP A 49 -3.929 -6.470 -4.975 1.00 0.00 C ATOM 762 O ASP A 49 -4.488 -5.375 -5.014 1.00 0.00 O ATOM 763 CB ASP A 49 -2.308 -6.614 -3.074 1.00 0.00 C ATOM 764 CG ASP A 49 -2.615 -7.980 -2.491 1.00 0.00 C ATOM 765 OD1 ASP A 49 -1.827 -8.919 -2.732 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.642 -8.110 -1.794 1.00 0.00 O ATOM 0 H ASP A 49 -1.485 -4.727 -4.494 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.062 -7.511 -5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.292 -6.327 -2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.976 -5.875 -2.632 1.00 0.00 H new ATOM 771 N GLY A 50 -4.552 -7.611 -5.255 1.00 0.00 N ATOM 772 CA GLY A 50 -5.954 -7.618 -5.629 1.00 0.00 C ATOM 773 C GLY A 50 -6.163 -7.332 -7.103 1.00 0.00 C ATOM 774 O GLY A 50 -7.127 -7.806 -7.703 1.00 0.00 O ATOM 0 H GLY A 50 -4.111 -8.530 -5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.387 -8.588 -5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.488 -6.874 -5.038 1.00 0.00 H new ATOM 778 N TRP A 51 -5.259 -6.552 -7.686 1.00 0.00 N ATOM 779 CA TRP A 51 -5.350 -6.202 -9.098 1.00 0.00 C ATOM 780 C TRP A 51 -5.149 -7.431 -9.978 1.00 0.00 C ATOM 781 O TRP A 51 -4.709 -8.478 -9.506 1.00 0.00 O ATOM 782 CB TRP A 51 -4.312 -5.134 -9.448 1.00 0.00 C ATOM 783 CG TRP A 51 -4.575 -3.813 -8.791 1.00 0.00 C ATOM 784 CD1 TRP A 51 -5.188 -3.602 -7.589 1.00 0.00 C ATOM 785 CD2 TRP A 51 -4.235 -2.519 -9.302 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.249 -2.256 -7.322 1.00 0.00 N ATOM 787 CE2 TRP A 51 -4.670 -1.570 -8.357 1.00 0.00 C ATOM 788 CE3 TRP A 51 -3.603 -2.070 -10.465 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -4.494 -0.201 -8.541 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -3.429 -0.711 -10.647 1.00 0.00 C ATOM 791 CH2 TRP A 51 -3.873 0.210 -9.689 1.00 0.00 C ATOM 0 H TRP A 51 -4.456 -6.151 -7.203 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.348 -5.804 -9.284 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -3.324 -5.488 -9.154 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -4.293 -4.997 -10.529 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -5.569 -4.379 -6.943 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -5.659 -1.835 -6.488 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -3.257 -2.773 -11.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -4.835 0.511 -7.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.943 -0.353 -11.542 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -3.722 1.266 -9.860 1.00 0.00 H new ATOM 841 N TYR A 55 0.058 -6.178 -15.073 1.00 0.00 N ATOM 842 CA TYR A 55 0.121 -4.835 -14.510 1.00 0.00 C ATOM 843 C TYR A 55 1.525 -4.523 -14.001 1.00 0.00 C ATOM 844 O TYR A 55 2.095 -3.478 -14.317 1.00 0.00 O ATOM 845 CB TYR A 55 -0.890 -4.688 -13.372 1.00 0.00 C ATOM 846 CG TYR A 55 -2.328 -4.661 -13.840 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.016 -5.839 -14.104 1.00 0.00 C ATOM 848 CD2 TYR A 55 -2.999 -3.457 -14.018 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.329 -5.818 -14.532 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.312 -3.427 -14.444 1.00 0.00 C ATOM 851 CZ TYR A 55 -4.973 -4.610 -14.701 1.00 0.00 C ATOM 852 OH TYR A 55 -6.282 -4.586 -15.126 1.00 0.00 O ATOM 0 HA TYR A 55 -0.126 -4.126 -15.300 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.760 -5.514 -12.672 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.677 -3.770 -12.825 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.516 -6.787 -13.972 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.484 -2.528 -13.820 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.849 -6.743 -14.733 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.819 -2.482 -14.575 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.587 -3.657 -15.193 1.00 0.00 H new ATOM 862 N ASP A 56 2.077 -5.437 -13.211 1.00 0.00 N ATOM 863 CA ASP A 56 3.415 -5.262 -12.658 1.00 0.00 C ATOM 864 C ASP A 56 4.315 -4.517 -13.639 1.00 0.00 C ATOM 865 O ASP A 56 4.400 -4.874 -14.814 1.00 0.00 O ATOM 866 CB ASP A 56 4.029 -6.620 -12.314 1.00 0.00 C ATOM 867 CG ASP A 56 3.526 -7.729 -13.217 1.00 0.00 C ATOM 868 OD1 ASP A 56 3.561 -7.550 -14.452 1.00 0.00 O ATOM 869 OD2 ASP A 56 3.098 -8.776 -12.688 1.00 0.00 O ATOM 0 H ASP A 56 1.619 -6.307 -12.939 1.00 0.00 H new ATOM 0 HA ASP A 56 3.331 -4.669 -11.747 1.00 0.00 H new ATOM 0 HB2 ASP A 56 5.114 -6.555 -12.393 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.799 -6.867 -11.278 1.00 0.00 H new ATOM 874 N TYR A 57 4.985 -3.480 -13.148 1.00 0.00 N ATOM 875 CA TYR A 57 5.876 -2.682 -13.982 1.00 0.00 C ATOM 876 C TYR A 57 7.106 -2.238 -13.195 1.00 0.00 C ATOM 877 O TYR A 57 7.041 -2.037 -11.983 1.00 0.00 O ATOM 878 CB TYR A 57 5.138 -1.459 -14.529 1.00 0.00 C ATOM 879 CG TYR A 57 4.339 -0.716 -13.482 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.973 0.014 -12.484 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.950 -0.744 -13.491 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.246 0.694 -11.526 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.215 -0.066 -12.538 1.00 0.00 C ATOM 884 CZ TYR A 57 2.868 0.651 -11.557 1.00 0.00 C ATOM 885 OH TYR A 57 2.141 1.328 -10.604 1.00 0.00 O ATOM 0 H TYR A 57 4.928 -3.173 -12.177 1.00 0.00 H new ATOM 0 HA TYR A 57 6.205 -3.302 -14.816 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.863 -0.776 -14.973 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.468 -1.777 -15.328 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.052 0.050 -12.457 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.436 -1.306 -14.257 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.754 1.256 -10.757 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.136 -0.097 -12.561 1.00 0.00 H new ATOM 0 HH TYR A 57 1.374 0.783 -10.329 1.00 0.00 H new ATOM 895 N TRP A 58 8.224 -2.087 -13.895 1.00 0.00 N ATOM 896 CA TRP A 58 9.470 -1.666 -13.263 1.00 0.00 C ATOM 897 C TRP A 58 9.490 -0.156 -13.052 1.00 0.00 C ATOM 898 O TRP A 58 9.674 0.609 -13.999 1.00 0.00 O ATOM 899 CB TRP A 58 10.667 -2.091 -14.116 1.00 0.00 C ATOM 900 CG TRP A 58 11.136 -3.485 -13.829 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.976 -4.583 -14.625 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.839 -3.930 -12.665 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.538 -5.684 -14.025 1.00 0.00 N ATOM 904 CE2 TRP A 58 12.075 -5.310 -12.822 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.295 -3.297 -11.505 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.744 -6.065 -11.862 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.959 -4.047 -10.554 1.00 0.00 C ATOM 908 CH2 TRP A 58 13.179 -5.419 -10.737 1.00 0.00 C ATOM 0 H TRP A 58 8.294 -2.249 -14.900 1.00 0.00 H new ATOM 0 HA TRP A 58 9.537 -2.151 -12.289 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.398 -2.016 -15.170 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.490 -1.396 -13.946 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.481 -4.586 -15.585 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.553 -6.627 -14.413 1.00 0.00 H new ATOM 0 HE3 TRP A 58 12.131 -2.240 -11.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.913 -7.123 -12.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.315 -3.568 -9.654 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.702 -5.977 -9.975 1.00 0.00 H new ATOM 919 N ILE A 59 9.300 0.265 -11.807 1.00 0.00 N ATOM 920 CA ILE A 59 9.298 1.684 -11.473 1.00 0.00 C ATOM 921 C ILE A 59 10.566 2.073 -10.721 1.00 0.00 C ATOM 922 O ILE A 59 11.005 1.365 -9.814 1.00 0.00 O ATOM 923 CB ILE A 59 8.073 2.060 -10.619 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.825 3.569 -10.679 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.270 1.607 -9.180 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.517 3.992 -10.049 1.00 0.00 C ATOM 0 H ILE A 59 9.145 -0.356 -11.013 1.00 0.00 H new ATOM 0 HA ILE A 59 9.255 2.230 -12.416 1.00 0.00 H new ATOM 0 HB ILE A 59 7.198 1.551 -11.023 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.644 4.084 -10.177 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.838 3.890 -11.721 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.395 1.880 -8.590 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.402 0.525 -9.154 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.154 2.090 -8.764 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.408 5.074 -10.128 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.690 3.505 -10.566 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.509 3.702 -8.998 1.00 0.00 H new ATOM 938 N ASP A 60 11.150 3.204 -11.102 1.00 0.00 N ATOM 939 CA ASP A 60 12.367 3.690 -10.462 1.00 0.00 C ATOM 940 C ASP A 60 12.140 3.925 -8.971 1.00 0.00 C ATOM 941 O ASP A 60 11.234 4.660 -8.580 1.00 0.00 O ATOM 942 CB ASP A 60 12.837 4.984 -11.129 1.00 0.00 C ATOM 943 CG ASP A 60 13.255 4.773 -12.571 1.00 0.00 C ATOM 944 OD1 ASP A 60 12.776 3.801 -13.191 1.00 0.00 O ATOM 945 OD2 ASP A 60 14.062 5.580 -13.079 1.00 0.00 O ATOM 0 H ASP A 60 10.800 3.801 -11.851 1.00 0.00 H new ATOM 0 HA ASP A 60 13.139 2.929 -10.578 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.035 5.721 -11.090 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.676 5.395 -10.567 1.00 0.00 H new ATOM 950 N ALA A 61 12.969 3.295 -8.146 1.00 0.00 N ATOM 951 CA ALA A 61 12.860 3.435 -6.699 1.00 0.00 C ATOM 952 C ALA A 61 13.063 4.885 -6.272 1.00 0.00 C ATOM 953 O ALA A 61 12.652 5.285 -5.182 1.00 0.00 O ATOM 954 CB ALA A 61 13.866 2.531 -6.003 1.00 0.00 C ATOM 0 H ALA A 61 13.724 2.682 -8.455 1.00 0.00 H new ATOM 0 HA ALA A 61 11.855 3.134 -6.404 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.773 2.646 -4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.672 1.493 -6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.875 2.804 -6.311 1.00 0.00 H new ATOM 960 N ASP A 62 13.701 5.667 -7.135 1.00 0.00 N ATOM 961 CA ASP A 62 13.959 7.073 -6.847 1.00 0.00 C ATOM 962 C ASP A 62 12.886 7.962 -7.469 1.00 0.00 C ATOM 963 O ASP A 62 12.985 9.188 -7.435 1.00 0.00 O ATOM 964 CB ASP A 62 15.339 7.478 -7.368 1.00 0.00 C ATOM 965 CG ASP A 62 16.384 6.405 -7.133 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.866 6.288 -5.987 1.00 0.00 O ATOM 967 OD2 ASP A 62 16.721 5.684 -8.095 1.00 0.00 O ATOM 0 H ASP A 62 14.049 5.351 -8.040 1.00 0.00 H new ATOM 0 HA ASP A 62 13.934 7.207 -5.766 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.273 7.690 -8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.653 8.400 -6.879 1.00 0.00 H new ATOM 972 N SER A 63 11.862 7.334 -8.037 1.00 0.00 N ATOM 973 CA SER A 63 10.772 8.067 -8.671 1.00 0.00 C ATOM 974 C SER A 63 9.935 8.804 -7.631 1.00 0.00 C ATOM 975 O SER A 63 9.602 8.270 -6.573 1.00 0.00 O ATOM 976 CB SER A 63 9.885 7.112 -9.473 1.00 0.00 C ATOM 977 OG SER A 63 8.944 7.826 -10.256 1.00 0.00 O ATOM 0 H SER A 63 11.764 6.319 -8.071 1.00 0.00 H new ATOM 0 HA SER A 63 11.207 8.802 -9.348 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.505 6.492 -10.120 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.362 6.440 -8.793 1.00 0.00 H new ATOM 0 HG SER A 63 8.047 7.462 -10.102 1.00 0.00 H new ATOM 983 N PRO A 64 9.586 10.062 -7.936 1.00 0.00 N ATOM 984 CA PRO A 64 8.783 10.901 -7.042 1.00 0.00 C ATOM 985 C PRO A 64 7.339 10.422 -6.938 1.00 0.00 C ATOM 986 O PRO A 64 6.575 10.899 -6.099 1.00 0.00 O ATOM 987 CB PRO A 64 8.842 12.281 -7.701 1.00 0.00 C ATOM 988 CG PRO A 64 9.096 12.002 -9.142 1.00 0.00 C ATOM 989 CD PRO A 64 9.948 10.763 -9.180 1.00 0.00 C ATOM 0 HA PRO A 64 9.162 10.885 -6.020 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.909 12.826 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.635 12.892 -7.270 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.161 11.849 -9.681 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.605 12.840 -9.618 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.735 10.156 -10.060 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.010 11.006 -9.210 1.00 0.00 H new ATOM 997 N ASP A 65 6.972 9.475 -7.795 1.00 0.00 N ATOM 998 CA ASP A 65 5.620 8.930 -7.799 1.00 0.00 C ATOM 999 C ASP A 65 5.450 7.891 -6.695 1.00 0.00 C ATOM 1000 O ASP A 65 4.363 7.736 -6.137 1.00 0.00 O ATOM 1001 CB ASP A 65 5.303 8.305 -9.158 1.00 0.00 C ATOM 1002 CG ASP A 65 5.970 9.040 -10.304 1.00 0.00 C ATOM 1003 OD1 ASP A 65 5.851 10.282 -10.361 1.00 0.00 O ATOM 1004 OD2 ASP A 65 6.613 8.374 -11.142 1.00 0.00 O ATOM 0 H ASP A 65 7.592 9.069 -8.496 1.00 0.00 H new ATOM 0 HA ASP A 65 4.924 9.748 -7.613 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.627 7.264 -9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.224 8.303 -9.311 1.00 0.00 H new ATOM 1009 N ILE A 66 6.530 7.181 -6.386 1.00 0.00 N ATOM 1010 CA ILE A 66 6.500 6.157 -5.349 1.00 0.00 C ATOM 1011 C ILE A 66 6.399 6.782 -3.962 1.00 0.00 C ATOM 1012 O ILE A 66 7.152 7.697 -3.625 1.00 0.00 O ATOM 1013 CB ILE A 66 7.751 5.261 -5.406 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.705 4.362 -6.643 1.00 0.00 C ATOM 1015 CG2 ILE A 66 7.862 4.425 -4.140 1.00 0.00 C ATOM 1016 CD1 ILE A 66 8.886 3.423 -6.752 1.00 0.00 C ATOM 0 H ILE A 66 7.437 7.296 -6.839 1.00 0.00 H new ATOM 0 HA ILE A 66 5.617 5.546 -5.535 1.00 0.00 H new ATOM 0 HB ILE A 66 8.633 5.898 -5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.786 3.776 -6.622 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.665 4.987 -7.535 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.751 3.797 -4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.936 5.083 -3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.978 3.795 -4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.787 2.816 -7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.808 4.002 -6.805 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.916 2.773 -5.878 1.00 0.00 H new ATOM 1028 N HIS A 67 5.464 6.282 -3.160 1.00 0.00 N ATOM 1029 CA HIS A 67 5.266 6.790 -1.807 1.00 0.00 C ATOM 1030 C HIS A 67 5.250 5.648 -0.795 1.00 0.00 C ATOM 1031 O HIS A 67 4.738 4.559 -1.059 1.00 0.00 O ATOM 1032 CB HIS A 67 3.960 7.580 -1.723 1.00 0.00 C ATOM 1033 CG HIS A 67 3.926 8.779 -2.619 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.791 9.845 -2.483 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.127 9.077 -3.670 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.523 10.747 -3.410 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.518 10.305 -4.144 1.00 0.00 N ATOM 0 H HIS A 67 4.832 5.526 -3.423 1.00 0.00 H new ATOM 0 HA HIS A 67 6.098 7.452 -1.568 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.130 6.922 -1.979 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.805 7.902 -0.693 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.330 8.463 -4.063 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.038 11.687 -3.545 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.100 10.796 -4.934 1.00 0.00 H new ATOM 1046 N PRO A 68 5.823 5.900 0.391 1.00 0.00 N ATOM 1047 CA PRO A 68 5.887 4.905 1.466 1.00 0.00 C ATOM 1048 C PRO A 68 4.519 4.622 2.077 1.00 0.00 C ATOM 1049 O PRO A 68 3.602 5.437 1.975 1.00 0.00 O ATOM 1050 CB PRO A 68 6.809 5.558 2.499 1.00 0.00 C ATOM 1051 CG PRO A 68 6.676 7.021 2.254 1.00 0.00 C ATOM 1052 CD PRO A 68 6.452 7.175 0.775 1.00 0.00 C ATOM 0 HA PRO A 68 6.243 3.939 1.107 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.512 5.298 3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.840 5.228 2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.843 7.437 2.820 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.573 7.553 2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.806 8.025 0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.388 7.338 0.241 1.00 0.00 H new ATOM 1060 N VAL A 69 4.388 3.462 2.713 1.00 0.00 N ATOM 1061 CA VAL A 69 3.132 3.072 3.342 1.00 0.00 C ATOM 1062 C VAL A 69 2.714 4.081 4.406 1.00 0.00 C ATOM 1063 O VAL A 69 3.241 4.080 5.518 1.00 0.00 O ATOM 1064 CB VAL A 69 3.235 1.677 3.985 1.00 0.00 C ATOM 1065 CG1 VAL A 69 2.119 1.471 4.998 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.203 0.595 2.916 1.00 0.00 C ATOM 0 H VAL A 69 5.137 2.776 2.806 1.00 0.00 H new ATOM 0 HA VAL A 69 2.379 3.045 2.555 1.00 0.00 H new ATOM 0 HB VAL A 69 4.187 1.608 4.512 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.209 0.479 5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.194 2.227 5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.154 1.559 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.277 -0.385 3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.268 0.660 2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.041 0.733 2.233 1.00 0.00 H new ATOM 1076 N GLY A 70 1.763 4.942 4.057 1.00 0.00 N ATOM 1077 CA GLY A 70 1.290 5.944 4.994 1.00 0.00 C ATOM 1078 C GLY A 70 1.452 7.355 4.464 1.00 0.00 C ATOM 1079 O GLY A 70 1.386 8.322 5.223 1.00 0.00 O ATOM 0 H GLY A 70 1.312 4.963 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.239 5.761 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.836 5.846 5.932 1.00 0.00 H new ATOM 1083 N TRP A 71 1.666 7.474 3.159 1.00 0.00 N ATOM 1084 CA TRP A 71 1.840 8.778 2.529 1.00 0.00 C ATOM 1085 C TRP A 71 0.509 9.514 2.424 1.00 0.00 C ATOM 1086 O TRP A 71 0.475 10.732 2.248 1.00 0.00 O ATOM 1087 CB TRP A 71 2.459 8.617 1.139 1.00 0.00 C ATOM 1088 CG TRP A 71 2.210 9.789 0.239 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.098 10.773 -0.092 1.00 0.00 C ATOM 1090 CD2 TRP A 71 0.991 10.100 -0.445 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.505 11.676 -0.939 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.212 11.286 -1.172 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.265 9.492 -0.515 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.224 11.873 -1.957 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.245 10.076 -1.294 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.997 11.256 -2.008 1.00 0.00 C ATOM 0 H TRP A 71 1.723 6.684 2.516 1.00 0.00 H new ATOM 0 HA TRP A 71 2.512 9.368 3.152 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.534 8.469 1.243 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.057 7.718 0.672 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.117 10.832 0.261 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.954 12.503 -1.331 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.466 8.582 0.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.414 12.783 -2.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.220 9.615 -1.354 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.784 11.687 -2.610 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.584 8.768 2.532 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.919 9.350 2.449 1.00 0.00 C ATOM 1109 C CYS A 72 -2.085 10.477 3.464 1.00 0.00 C ATOM 1110 O CYS A 72 -2.677 11.514 3.164 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.982 8.276 2.683 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.884 7.480 4.303 1.00 0.00 S ATOM 0 H CYS A 72 -0.573 7.758 2.677 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.046 9.764 1.449 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.968 8.726 2.570 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.889 7.514 1.909 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.825 6.589 4.406 1.00 0.00 H new ATOM 1118 N SER A 73 -1.560 10.265 4.666 1.00 0.00 N ATOM 1119 CA SER A 73 -1.654 11.260 5.728 1.00 0.00 C ATOM 1120 C SER A 73 -0.653 12.390 5.505 1.00 0.00 C ATOM 1121 O SER A 73 -1.003 13.568 5.569 1.00 0.00 O ATOM 1122 CB SER A 73 -1.410 10.609 7.090 1.00 0.00 C ATOM 1123 OG SER A 73 -1.541 11.553 8.138 1.00 0.00 O ATOM 0 H SER A 73 -1.065 9.413 4.929 1.00 0.00 H new ATOM 0 HA SER A 73 -2.660 11.680 5.709 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.119 9.795 7.239 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.412 10.171 7.114 1.00 0.00 H new ATOM 0 HG SER A 73 -1.382 11.111 8.998 1.00 0.00 H new ATOM 1129 N LYS A 74 0.596 12.021 5.242 1.00 0.00 N ATOM 1130 CA LYS A 74 1.651 13.000 5.008 1.00 0.00 C ATOM 1131 C LYS A 74 1.117 14.199 4.230 1.00 0.00 C ATOM 1132 O LYS A 74 1.142 15.330 4.717 1.00 0.00 O ATOM 1133 CB LYS A 74 2.810 12.358 4.242 1.00 0.00 C ATOM 1134 CG LYS A 74 3.684 11.461 5.102 1.00 0.00 C ATOM 1135 CD LYS A 74 4.827 10.861 4.301 1.00 0.00 C ATOM 1136 CE LYS A 74 6.007 11.817 4.212 1.00 0.00 C ATOM 1137 NZ LYS A 74 6.816 11.816 5.463 1.00 0.00 N ATOM 0 H LYS A 74 0.903 11.050 5.186 1.00 0.00 H new ATOM 0 HA LYS A 74 2.011 13.348 5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.408 11.774 3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.427 13.144 3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.086 12.035 5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.078 10.661 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.147 9.928 4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.480 10.615 3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.640 11.536 3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.644 12.826 4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.610 12.480 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.219 12.108 6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.184 10.859 5.638 1.00 0.00 H new ATOM 1151 N THR A 75 0.631 13.945 3.019 1.00 0.00 N ATOM 1152 CA THR A 75 0.090 15.002 2.175 1.00 0.00 C ATOM 1153 C THR A 75 -1.364 15.296 2.524 1.00 0.00 C ATOM 1154 O THR A 75 -1.768 16.454 2.622 1.00 0.00 O ATOM 1155 CB THR A 75 0.183 14.633 0.682 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.588 13.455 0.421 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.629 14.400 0.271 1.00 0.00 C ATOM 0 H THR A 75 0.601 13.015 2.601 1.00 0.00 H new ATOM 0 HA THR A 75 0.692 15.892 2.360 1.00 0.00 H new ATOM 0 HB THR A 75 -0.214 15.464 0.099 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.059 12.830 -0.117 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.669 14.141 -0.787 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.207 15.307 0.445 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.048 13.584 0.860 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.148 14.238 2.713 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.549 14.404 3.051 1.00 0.00 C ATOM 1167 C GLY A 76 -4.472 13.907 1.956 1.00 0.00 C ATOM 1168 O GLY A 76 -5.589 14.402 1.803 1.00 0.00 O ATOM 0 H GLY A 76 -1.837 13.269 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.763 13.866 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.751 15.458 3.242 1.00 0.00 H new ATOM 1172 N HIS A 77 -4.005 12.925 1.191 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.796 12.361 0.103 1.00 0.00 C ATOM 1174 C HIS A 77 -5.401 11.021 0.510 1.00 0.00 C ATOM 1175 O HIS A 77 -4.789 10.228 1.225 1.00 0.00 O ATOM 1176 CB HIS A 77 -3.933 12.186 -1.147 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.831 13.425 -1.983 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -3.420 14.641 -1.479 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -4.088 13.630 -3.296 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -3.430 15.541 -2.446 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.832 14.953 -3.559 1.00 0.00 N ATOM 0 H HIS A 77 -3.083 12.504 1.305 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.608 13.054 -0.120 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.932 11.877 -0.847 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.347 11.381 -1.754 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.431 12.891 -4.005 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.156 16.581 -2.344 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.935 15.408 -4.466 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.632 10.761 0.045 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.346 9.517 0.348 1.00 0.00 C ATOM 1192 C PRO A 78 -6.724 8.308 -0.342 1.00 0.00 C ATOM 1193 O PRO A 78 -6.345 8.376 -1.513 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.755 9.776 -0.193 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.568 10.798 -1.261 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.421 11.661 -0.812 1.00 0.00 C ATOM 0 HA PRO A 78 -7.320 9.281 1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.200 8.864 -0.591 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.420 10.139 0.591 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.350 10.326 -2.219 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.473 11.391 -1.397 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.837 12.025 -1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.768 12.537 -0.263 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.622 7.204 0.388 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.045 5.978 -0.155 1.00 0.00 C ATOM 1206 C LEU A 79 -7.137 4.976 -0.515 1.00 0.00 C ATOM 1207 O LEU A 79 -8.109 4.811 0.222 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.079 5.355 0.854 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.214 4.207 0.334 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.087 4.739 -0.537 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.656 3.393 1.492 1.00 0.00 C ATOM 0 H LEU A 79 -6.931 7.131 1.357 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.498 6.234 -1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.421 6.139 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.657 4.992 1.704 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.839 3.554 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.482 3.907 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.507 5.278 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.463 5.414 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.043 2.580 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.047 4.035 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.478 2.980 2.076 1.00 0.00 H new ATOM 1223 N GLN A 80 -6.969 4.309 -1.652 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.940 3.321 -2.109 1.00 0.00 C ATOM 1225 C GLN A 80 -7.463 1.906 -1.802 1.00 0.00 C ATOM 1226 O GLN A 80 -6.326 1.531 -2.091 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.186 3.475 -3.611 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.642 4.868 -4.013 1.00 0.00 C ATOM 1229 CD GLN A 80 -9.856 5.333 -3.234 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -10.966 4.841 -3.439 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -9.651 6.286 -2.332 1.00 0.00 N ATOM 0 H GLN A 80 -6.170 4.434 -2.274 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.875 3.493 -1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.269 3.233 -4.148 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.939 2.751 -3.924 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.825 5.572 -3.858 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.873 4.877 -5.078 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.714 6.665 -2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.430 6.638 -1.776 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.350 1.099 -1.201 1.00 0.00 N ATOM 1241 CA PRO A 81 -8.042 -0.288 -0.841 1.00 0.00 C ATOM 1242 C PRO A 81 -7.905 -1.188 -2.065 1.00 0.00 C ATOM 1243 O PRO A 81 -8.530 -0.964 -3.102 1.00 0.00 O ATOM 1244 CB PRO A 81 -9.247 -0.712 0.002 1.00 0.00 C ATOM 1245 CG PRO A 81 -10.358 0.168 -0.456 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.722 1.479 -0.826 1.00 0.00 C ATOM 0 HA PRO A 81 -7.089 -0.371 -0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.487 -1.764 -0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.051 -0.581 1.066 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.876 -0.269 -1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.099 0.302 0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.245 1.961 -1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.731 2.180 0.009 1.00 0.00 H new ATOM 1254 N PRO A 82 -7.070 -2.230 -1.944 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.834 -3.185 -3.031 1.00 0.00 C ATOM 1256 C PRO A 82 -8.049 -4.065 -3.305 1.00 0.00 C ATOM 1257 O PRO A 82 -8.980 -4.122 -2.501 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.667 -4.030 -2.513 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.758 -3.932 -1.029 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.293 -2.558 -0.737 1.00 0.00 C ATOM 0 HA PRO A 82 -6.629 -2.683 -3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.748 -5.064 -2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.712 -3.651 -2.877 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.417 -4.701 -0.627 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.781 -4.077 -0.568 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.917 -2.551 0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.489 -1.841 -0.570 1.00 0.00 H new