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+ 157:sc= 0.188 (180deg=-0.226) USER MOD Set 1.2: A 35 THR OG1 : rot 176:sc= 0.252 USER MOD Single : A 15 GLN : amide:sc= -0.221 K(o=-0.22,f=-2.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 146:sc= -2.98 (180deg=-6.26!) USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.236) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0967 USER MOD Single : A 42 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-0.071) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.275 X(o=-0.27,f=-0.03) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -93:sc= 0.19 USER MOD Single : A 63 SER OG : rot 180:sc= -0.887 USER MOD Single : A 67 HIS : no HD1:sc= -2.84! X(o=-2.8!,f=-2.9) USER MOD Single : A 72 CYS SG : rot -100:sc= -0.247 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 -156:sc= 1.07 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 14.561 0.895 -0.837 1.00 0.00 N ATOM 158 CA PHE A 14 13.422 -0.014 -0.911 1.00 0.00 C ATOM 159 C PHE A 14 13.854 -1.450 -0.632 1.00 0.00 C ATOM 160 O PHE A 14 15.016 -1.808 -0.823 1.00 0.00 O ATOM 161 CB PHE A 14 12.761 0.074 -2.288 1.00 0.00 C ATOM 162 CG PHE A 14 12.245 1.445 -2.619 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.122 2.481 -2.899 1.00 0.00 C ATOM 164 CD2 PHE A 14 10.883 1.699 -2.650 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.651 3.744 -3.204 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.406 2.960 -2.955 1.00 0.00 C ATOM 167 CZ PHE A 14 11.291 3.984 -3.231 1.00 0.00 C ATOM 0 HA PHE A 14 12.701 0.284 -0.150 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.482 -0.227 -3.048 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.936 -0.637 -2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.186 2.299 -2.879 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.186 0.903 -2.433 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.345 4.542 -3.421 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.342 3.144 -2.977 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.920 4.970 -3.467 1.00 0.00 H new ATOM 177 N GLN A 15 12.910 -2.268 -0.179 1.00 0.00 N ATOM 178 CA GLN A 15 13.193 -3.666 0.128 1.00 0.00 C ATOM 179 C GLN A 15 12.144 -4.582 -0.493 1.00 0.00 C ATOM 180 O GLN A 15 11.142 -4.118 -1.039 1.00 0.00 O ATOM 181 CB GLN A 15 13.241 -3.878 1.642 1.00 0.00 C ATOM 182 CG GLN A 15 14.295 -3.035 2.341 1.00 0.00 C ATOM 183 CD GLN A 15 14.821 -3.689 3.604 1.00 0.00 C ATOM 184 OE1 GLN A 15 14.596 -4.876 3.842 1.00 0.00 O ATOM 185 NE2 GLN A 15 15.526 -2.916 4.421 1.00 0.00 N ATOM 0 H GLN A 15 11.943 -1.988 -0.016 1.00 0.00 H new ATOM 0 HA GLN A 15 14.165 -3.916 -0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.263 -3.646 2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.435 -4.931 1.847 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.124 -2.856 1.657 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.871 -2.062 2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 15 15.688 -1.937 4.184 1.00 0.00 H new ATOM 0 HE22 GLN A 15 15.906 -3.301 5.286 1.00 0.00 H new ATOM 194 N LYS A 16 12.380 -5.887 -0.408 1.00 0.00 N ATOM 195 CA LYS A 16 11.456 -6.870 -0.960 1.00 0.00 C ATOM 196 C LYS A 16 10.493 -7.373 0.110 1.00 0.00 C ATOM 197 O LYS A 16 10.835 -7.430 1.292 1.00 0.00 O ATOM 198 CB LYS A 16 12.230 -8.048 -1.558 1.00 0.00 C ATOM 199 CG LYS A 16 12.601 -7.853 -3.018 1.00 0.00 C ATOM 200 CD LYS A 16 13.879 -8.594 -3.373 1.00 0.00 C ATOM 201 CE LYS A 16 13.626 -10.082 -3.563 1.00 0.00 C ATOM 202 NZ LYS A 16 14.821 -10.782 -4.110 1.00 0.00 N ATOM 0 H LYS A 16 13.205 -6.288 0.039 1.00 0.00 H new ATOM 0 HA LYS A 16 10.877 -6.386 -1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.140 -8.206 -0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.630 -8.953 -1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.787 -8.206 -3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.727 -6.790 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.301 -8.176 -4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.617 -8.447 -2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.349 -10.528 -2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.782 -10.224 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.608 -11.794 -4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.070 -10.373 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.620 -10.669 -3.454 1.00 0.00 H new ATOM 216 N LYS A 17 9.286 -7.738 -0.310 1.00 0.00 N ATOM 217 CA LYS A 17 8.273 -8.239 0.611 1.00 0.00 C ATOM 218 C LYS A 17 7.774 -7.126 1.528 1.00 0.00 C ATOM 219 O LYS A 17 7.341 -7.383 2.651 1.00 0.00 O ATOM 220 CB LYS A 17 8.839 -9.388 1.447 1.00 0.00 C ATOM 221 CG LYS A 17 9.539 -10.454 0.622 1.00 0.00 C ATOM 222 CD LYS A 17 9.771 -11.721 1.428 1.00 0.00 C ATOM 223 CE LYS A 17 8.466 -12.448 1.712 1.00 0.00 C ATOM 224 NZ LYS A 17 8.697 -13.852 2.152 1.00 0.00 N ATOM 0 H LYS A 17 8.986 -7.696 -1.284 1.00 0.00 H new ATOM 0 HA LYS A 17 7.432 -8.606 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.542 -8.984 2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.028 -9.850 2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.939 -10.686 -0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.494 -10.069 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.446 -12.382 0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.261 -11.470 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.912 -11.912 2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.847 -12.446 0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.783 -14.313 2.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.203 -14.371 1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.267 -13.854 3.022 1.00 0.00 H new ATOM 238 N MET A 18 7.837 -5.892 1.041 1.00 0.00 N ATOM 239 CA MET A 18 7.388 -4.741 1.816 1.00 0.00 C ATOM 240 C MET A 18 6.181 -4.080 1.159 1.00 0.00 C ATOM 241 O MET A 18 5.674 -4.557 0.144 1.00 0.00 O ATOM 242 CB MET A 18 8.523 -3.725 1.965 1.00 0.00 C ATOM 243 CG MET A 18 8.695 -2.826 0.751 1.00 0.00 C ATOM 244 SD MET A 18 9.765 -1.412 1.082 1.00 0.00 S ATOM 245 CE MET A 18 9.522 -0.449 -0.409 1.00 0.00 C ATOM 0 H MET A 18 8.194 -5.663 0.114 1.00 0.00 H new ATOM 0 HA MET A 18 7.093 -5.093 2.805 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.333 -3.106 2.842 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.456 -4.258 2.147 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.112 -3.408 -0.071 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.718 -2.469 0.426 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.570 0.613 -0.168 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.302 -0.693 -1.131 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.546 -0.680 -0.837 1.00 0.00 H new ATOM 255 N LYS A 19 5.723 -2.978 1.745 1.00 0.00 N ATOM 256 CA LYS A 19 4.576 -2.250 1.216 1.00 0.00 C ATOM 257 C LYS A 19 4.948 -0.805 0.897 1.00 0.00 C ATOM 258 O LYS A 19 5.826 -0.224 1.537 1.00 0.00 O ATOM 259 CB LYS A 19 3.421 -2.280 2.219 1.00 0.00 C ATOM 260 CG LYS A 19 2.817 -3.661 2.410 1.00 0.00 C ATOM 261 CD LYS A 19 2.149 -4.158 1.139 1.00 0.00 C ATOM 262 CE LYS A 19 1.609 -5.569 1.308 1.00 0.00 C ATOM 263 NZ LYS A 19 2.693 -6.589 1.249 1.00 0.00 N ATOM 0 H LYS A 19 6.129 -2.570 2.587 1.00 0.00 H new ATOM 0 HA LYS A 19 4.262 -2.738 0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.777 -1.912 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.642 -1.595 1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.596 -4.362 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.086 -3.631 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.335 -3.486 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.866 -4.138 0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.089 -5.647 2.263 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.876 -5.773 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.383 -7.454 1.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.908 -6.810 0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.546 -6.216 1.713 1.00 0.00 H new ATOM 277 N LEU A 20 4.275 -0.231 -0.094 1.00 0.00 N ATOM 278 CA LEU A 20 4.534 1.147 -0.496 1.00 0.00 C ATOM 279 C LEU A 20 3.416 1.672 -1.391 1.00 0.00 C ATOM 280 O LEU A 20 2.896 0.948 -2.239 1.00 0.00 O ATOM 281 CB LEU A 20 5.875 1.242 -1.227 1.00 0.00 C ATOM 282 CG LEU A 20 5.817 1.140 -2.752 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.671 2.520 -3.374 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.057 0.440 -3.287 1.00 0.00 C ATOM 0 H LEU A 20 3.546 -0.698 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 20 4.573 1.761 0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.343 2.191 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.526 0.451 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 20 4.944 0.547 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.631 2.428 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.753 2.985 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.524 3.138 -3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.999 0.376 -4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.945 1.006 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.117 -0.564 -2.867 1.00 0.00 H new ATOM 296 N GLU A 21 3.054 2.936 -1.196 1.00 0.00 N ATOM 297 CA GLU A 21 1.998 3.558 -1.987 1.00 0.00 C ATOM 298 C GLU A 21 2.535 4.035 -3.333 1.00 0.00 C ATOM 299 O GLU A 21 3.412 4.897 -3.394 1.00 0.00 O ATOM 300 CB GLU A 21 1.385 4.735 -1.224 1.00 0.00 C ATOM 301 CG GLU A 21 0.491 4.313 -0.070 1.00 0.00 C ATOM 302 CD GLU A 21 -0.325 5.463 0.487 1.00 0.00 C ATOM 303 OE1 GLU A 21 -0.272 6.566 -0.097 1.00 0.00 O ATOM 304 OE2 GLU A 21 -1.016 5.260 1.507 1.00 0.00 O ATOM 0 H GLU A 21 3.476 3.549 -0.498 1.00 0.00 H new ATOM 0 HA GLU A 21 1.226 2.810 -2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.187 5.365 -0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.805 5.344 -1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.182 3.524 -0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.105 3.890 0.725 1.00 0.00 H new ATOM 311 N VAL A 22 2.004 3.467 -4.411 1.00 0.00 N ATOM 312 CA VAL A 22 2.429 3.833 -5.756 1.00 0.00 C ATOM 313 C VAL A 22 1.311 4.543 -6.511 1.00 0.00 C ATOM 314 O VAL A 22 0.135 4.214 -6.355 1.00 0.00 O ATOM 315 CB VAL A 22 2.872 2.597 -6.561 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.416 3.011 -7.920 1.00 0.00 C ATOM 317 CG2 VAL A 22 3.908 1.799 -5.783 1.00 0.00 C ATOM 0 H VAL A 22 1.278 2.751 -4.379 1.00 0.00 H new ATOM 0 HA VAL A 22 3.277 4.509 -5.647 1.00 0.00 H new ATOM 0 HB VAL A 22 2.003 1.960 -6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.724 2.124 -8.474 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.641 3.536 -8.478 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.274 3.669 -7.783 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.210 0.929 -6.366 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.778 2.425 -5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.478 1.470 -4.837 1.00 0.00 H new ATOM 327 N VAL A 23 1.686 5.520 -7.332 1.00 0.00 N ATOM 328 CA VAL A 23 0.715 6.277 -8.113 1.00 0.00 C ATOM 329 C VAL A 23 0.389 5.566 -9.421 1.00 0.00 C ATOM 330 O VAL A 23 1.285 5.197 -10.180 1.00 0.00 O ATOM 331 CB VAL A 23 1.230 7.694 -8.427 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.235 8.442 -9.302 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.501 8.459 -7.140 1.00 0.00 C ATOM 0 H VAL A 23 2.655 5.805 -7.473 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.189 6.352 -7.508 1.00 0.00 H new ATOM 0 HB VAL A 23 2.168 7.608 -8.976 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.616 9.441 -9.514 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.095 7.901 -10.238 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.720 8.520 -8.782 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.864 9.458 -7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.580 8.537 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.253 7.931 -6.554 1.00 0.00 H new ATOM 343 N ASP A 24 -0.901 5.376 -9.679 1.00 0.00 N ATOM 344 CA ASP A 24 -1.347 4.710 -10.897 1.00 0.00 C ATOM 345 C ASP A 24 -1.044 5.562 -12.125 1.00 0.00 C ATOM 346 O ASP A 24 -1.619 6.636 -12.306 1.00 0.00 O ATOM 347 CB ASP A 24 -2.846 4.415 -10.823 1.00 0.00 C ATOM 348 CG ASP A 24 -3.244 3.222 -11.670 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.388 2.341 -11.895 1.00 0.00 O ATOM 350 OD2 ASP A 24 -4.412 3.170 -12.108 1.00 0.00 O ATOM 0 H ASP A 24 -1.656 5.674 -9.061 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.803 3.770 -10.987 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.126 4.230 -9.786 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.403 5.292 -11.152 1.00 0.00 H new ATOM 355 N LYS A 25 -0.137 5.078 -12.966 1.00 0.00 N ATOM 356 CA LYS A 25 0.244 5.794 -14.178 1.00 0.00 C ATOM 357 C LYS A 25 -0.988 6.314 -14.913 1.00 0.00 C ATOM 358 O LYS A 25 -1.101 7.509 -15.185 1.00 0.00 O ATOM 359 CB LYS A 25 1.054 4.882 -15.101 1.00 0.00 C ATOM 360 CG LYS A 25 1.865 3.833 -14.361 1.00 0.00 C ATOM 361 CD LYS A 25 2.674 4.448 -13.230 1.00 0.00 C ATOM 362 CE LYS A 25 3.968 5.062 -13.741 1.00 0.00 C ATOM 363 NZ LYS A 25 5.014 5.111 -12.682 1.00 0.00 N ATOM 0 H LYS A 25 0.349 4.191 -12.831 1.00 0.00 H new ATOM 0 HA LYS A 25 0.859 6.646 -13.888 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.375 4.383 -15.792 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.728 5.493 -15.702 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.196 3.072 -13.959 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.536 3.332 -15.059 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.080 5.213 -12.730 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.901 3.684 -12.486 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.335 4.483 -14.588 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.773 6.070 -14.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.726 5.827 -12.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.576 5.360 -11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.472 4.180 -12.603 1.00 0.00 H new ATOM 377 N ARG A 26 -1.908 5.409 -15.229 1.00 0.00 N ATOM 378 CA ARG A 26 -3.131 5.776 -15.931 1.00 0.00 C ATOM 379 C ARG A 26 -3.981 6.721 -15.086 1.00 0.00 C ATOM 380 O ARG A 26 -4.723 7.547 -15.617 1.00 0.00 O ATOM 381 CB ARG A 26 -3.938 4.525 -16.283 1.00 0.00 C ATOM 382 CG ARG A 26 -3.092 3.268 -16.405 1.00 0.00 C ATOM 383 CD ARG A 26 -3.858 2.145 -17.085 1.00 0.00 C ATOM 384 NE ARG A 26 -4.464 2.577 -18.341 1.00 0.00 N ATOM 385 CZ ARG A 26 -5.689 3.081 -18.431 1.00 0.00 C ATOM 386 NH1 ARG A 26 -6.436 3.215 -17.343 1.00 0.00 N ATOM 387 NH2 ARG A 26 -6.171 3.452 -19.610 1.00 0.00 N ATOM 0 H ARG A 26 -1.829 4.416 -15.010 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.851 6.290 -16.850 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.699 4.367 -15.519 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.461 4.693 -17.224 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.189 3.490 -16.973 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.774 2.945 -15.414 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.183 1.310 -17.276 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.636 1.779 -16.415 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.916 2.487 -19.197 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.070 2.931 -16.435 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.377 3.603 -17.415 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.600 3.350 -20.449 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.112 3.839 -19.677 1.00 0.00 H new ATOM 401 N ASN A 27 -3.866 6.593 -13.769 1.00 0.00 N ATOM 402 CA ASN A 27 -4.624 7.435 -12.850 1.00 0.00 C ATOM 403 C ASN A 27 -3.716 8.018 -11.771 1.00 0.00 C ATOM 404 O ASN A 27 -3.507 7.425 -10.713 1.00 0.00 O ATOM 405 CB ASN A 27 -5.753 6.631 -12.202 1.00 0.00 C ATOM 406 CG ASN A 27 -7.009 6.610 -13.051 1.00 0.00 C ATOM 407 OD1 ASN A 27 -7.543 7.657 -13.415 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.486 5.412 -13.371 1.00 0.00 N ATOM 0 H ASN A 27 -3.255 5.915 -13.313 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.054 8.258 -13.421 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.416 5.609 -12.032 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.985 7.057 -11.226 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.328 5.334 -13.941 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.010 4.570 -13.047 1.00 0.00 H new ATOM 415 N PRO A 28 -3.162 9.209 -12.045 1.00 0.00 N ATOM 416 CA PRO A 28 -2.268 9.899 -11.110 1.00 0.00 C ATOM 417 C PRO A 28 -3.004 10.414 -9.877 1.00 0.00 C ATOM 418 O PRO A 28 -2.392 10.677 -8.843 1.00 0.00 O ATOM 419 CB PRO A 28 -1.726 11.068 -11.936 1.00 0.00 C ATOM 420 CG PRO A 28 -2.768 11.316 -12.971 1.00 0.00 C ATOM 421 CD PRO A 28 -3.367 9.973 -13.286 1.00 0.00 C ATOM 0 HA PRO A 28 -1.493 9.237 -10.723 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.566 11.950 -11.316 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.767 10.820 -12.391 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.528 12.005 -12.603 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.333 11.768 -13.862 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.424 10.054 -13.538 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.872 9.501 -14.135 1.00 0.00 H new ATOM 429 N MET A 29 -4.320 10.555 -9.995 1.00 0.00 N ATOM 430 CA MET A 29 -5.139 11.037 -8.889 1.00 0.00 C ATOM 431 C MET A 29 -5.612 9.878 -8.017 1.00 0.00 C ATOM 432 O MET A 29 -6.523 10.031 -7.203 1.00 0.00 O ATOM 433 CB MET A 29 -6.345 11.815 -9.420 1.00 0.00 C ATOM 434 CG MET A 29 -7.261 10.987 -10.305 1.00 0.00 C ATOM 435 SD MET A 29 -8.258 12.000 -11.415 1.00 0.00 S ATOM 436 CE MET A 29 -7.141 12.179 -12.804 1.00 0.00 C ATOM 0 H MET A 29 -4.842 10.342 -10.845 1.00 0.00 H new ATOM 0 HA MET A 29 -4.526 11.701 -8.279 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.919 12.200 -8.577 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.991 12.678 -9.984 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.661 10.293 -10.894 1.00 0.00 H new ATOM 0 HG3 MET A 29 -7.920 10.386 -9.678 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.616 12.783 -13.577 1.00 0.00 H new ATOM 0 HE2 MET A 29 -6.224 12.667 -12.473 1.00 0.00 H new ATOM 0 HE3 MET A 29 -6.902 11.195 -13.208 1.00 0.00 H new ATOM 446 N PHE A 30 -4.987 8.718 -8.193 1.00 0.00 N ATOM 447 CA PHE A 30 -5.345 7.532 -7.423 1.00 0.00 C ATOM 448 C PHE A 30 -4.096 6.804 -6.935 1.00 0.00 C ATOM 449 O PHE A 30 -3.188 6.517 -7.715 1.00 0.00 O ATOM 450 CB PHE A 30 -6.202 6.588 -8.269 1.00 0.00 C ATOM 451 CG PHE A 30 -7.666 6.920 -8.241 1.00 0.00 C ATOM 452 CD1 PHE A 30 -8.405 6.755 -7.080 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.304 7.397 -9.374 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.753 7.060 -7.050 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.652 7.705 -9.350 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.377 7.535 -8.187 1.00 0.00 C ATOM 0 H PHE A 30 -4.230 8.574 -8.862 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.920 7.853 -6.554 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.851 6.618 -9.300 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.062 5.567 -7.914 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.922 6.384 -6.188 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.742 7.530 -10.287 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.317 6.927 -6.139 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.137 8.078 -10.240 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.430 7.773 -8.167 1.00 0.00 H new ATOM 466 N ILE A 31 -4.060 6.509 -5.640 1.00 0.00 N ATOM 467 CA ILE A 31 -2.924 5.814 -5.047 1.00 0.00 C ATOM 468 C ILE A 31 -3.377 4.583 -4.269 1.00 0.00 C ATOM 469 O ILE A 31 -4.338 4.641 -3.501 1.00 0.00 O ATOM 470 CB ILE A 31 -2.127 6.737 -4.107 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.546 7.918 -4.888 1.00 0.00 C ATOM 472 CG2 ILE A 31 -1.019 5.958 -3.413 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.218 9.113 -4.020 1.00 0.00 C ATOM 0 H ILE A 31 -4.804 6.740 -4.982 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.280 5.504 -5.870 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.803 7.126 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.641 7.593 -5.402 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.258 8.221 -5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.465 6.624 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.455 5.148 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.343 5.543 -4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.811 9.912 -4.640 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.124 9.463 -3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.483 8.826 -3.268 1.00 0.00 H new ATOM 485 N ARG A 32 -2.678 3.471 -4.471 1.00 0.00 N ATOM 486 CA ARG A 32 -3.008 2.226 -3.787 1.00 0.00 C ATOM 487 C ARG A 32 -1.766 1.609 -3.152 1.00 0.00 C ATOM 488 O ARG A 32 -0.682 2.191 -3.189 1.00 0.00 O ATOM 489 CB ARG A 32 -3.640 1.235 -4.766 1.00 0.00 C ATOM 490 CG ARG A 32 -4.915 1.748 -5.415 1.00 0.00 C ATOM 491 CD ARG A 32 -5.106 1.163 -6.806 1.00 0.00 C ATOM 492 NE ARG A 32 -5.953 2.009 -7.643 1.00 0.00 N ATOM 493 CZ ARG A 32 -7.265 2.129 -7.476 1.00 0.00 C ATOM 494 NH1 ARG A 32 -7.877 1.463 -6.507 1.00 0.00 N ATOM 495 NH2 ARG A 32 -7.968 2.918 -8.279 1.00 0.00 N ATOM 0 H ARG A 32 -1.880 3.406 -5.103 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.724 2.453 -2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.917 0.996 -5.545 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.859 0.306 -4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.771 1.492 -4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.880 2.836 -5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.134 1.038 -7.283 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.551 0.171 -6.724 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.513 2.536 -8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.340 0.856 -5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.885 1.557 -6.381 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.501 3.433 -9.025 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.976 3.009 -8.150 1.00 0.00 H new ATOM 509 N VAL A 33 -1.932 0.426 -2.569 1.00 0.00 N ATOM 510 CA VAL A 33 -0.824 -0.271 -1.925 1.00 0.00 C ATOM 511 C VAL A 33 -0.038 -1.102 -2.933 1.00 0.00 C ATOM 512 O VAL A 33 -0.610 -1.682 -3.855 1.00 0.00 O ATOM 513 CB VAL A 33 -1.321 -1.191 -0.795 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.162 -1.969 -0.191 1.00 0.00 C ATOM 515 CG2 VAL A 33 -2.044 -0.382 0.271 1.00 0.00 C ATOM 0 H VAL A 33 -2.822 -0.070 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.172 0.493 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.027 -1.907 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.533 -2.614 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.308 -2.579 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.570 -1.272 0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.389 -1.048 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.363 0.358 0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.900 0.125 -0.175 1.00 0.00 H new ATOM 525 N ALA A 34 1.277 -1.154 -2.751 1.00 0.00 N ATOM 526 CA ALA A 34 2.143 -1.916 -3.643 1.00 0.00 C ATOM 527 C ALA A 34 3.117 -2.783 -2.853 1.00 0.00 C ATOM 528 O ALA A 34 3.584 -2.395 -1.782 1.00 0.00 O ATOM 529 CB ALA A 34 2.900 -0.978 -4.571 1.00 0.00 C ATOM 0 H ALA A 34 1.767 -0.677 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 34 1.516 -2.575 -4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.543 -1.560 -5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.190 -0.405 -5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.510 -0.296 -3.980 1.00 0.00 H new ATOM 535 N THR A 35 3.421 -3.962 -3.389 1.00 0.00 N ATOM 536 CA THR A 35 4.338 -4.885 -2.733 1.00 0.00 C ATOM 537 C THR A 35 5.582 -5.119 -3.583 1.00 0.00 C ATOM 538 O THR A 35 5.507 -5.701 -4.665 1.00 0.00 O ATOM 539 CB THR A 35 3.663 -6.240 -2.448 1.00 0.00 C ATOM 540 OG1 THR A 35 2.478 -6.042 -1.670 1.00 0.00 O ATOM 541 CG2 THR A 35 4.611 -7.172 -1.708 1.00 0.00 C ATOM 0 H THR A 35 3.045 -4.299 -4.275 1.00 0.00 H new ATOM 0 HA THR A 35 4.627 -4.426 -1.788 1.00 0.00 H new ATOM 0 HB THR A 35 3.400 -6.698 -3.402 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.019 -6.900 -1.548 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.112 -8.122 -1.518 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.500 -7.344 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.901 -6.718 -0.760 1.00 0.00 H new ATOM 549 N VAL A 36 6.728 -4.663 -3.085 1.00 0.00 N ATOM 550 CA VAL A 36 7.989 -4.825 -3.798 1.00 0.00 C ATOM 551 C VAL A 36 8.312 -6.299 -4.016 1.00 0.00 C ATOM 552 O VAL A 36 8.757 -6.990 -3.100 1.00 0.00 O ATOM 553 CB VAL A 36 9.153 -4.163 -3.036 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.413 -4.156 -3.888 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.778 -2.751 -2.613 1.00 0.00 C ATOM 0 H VAL A 36 6.808 -4.179 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 36 7.871 -4.335 -4.765 1.00 0.00 H new ATOM 0 HB VAL A 36 9.354 -4.746 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.224 -3.685 -3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.690 -5.181 -4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.228 -3.598 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.612 -2.299 -2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.549 -2.155 -3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.904 -2.786 -1.963 1.00 0.00 H new ATOM 565 N ALA A 37 8.085 -6.774 -5.236 1.00 0.00 N ATOM 566 CA ALA A 37 8.354 -8.166 -5.576 1.00 0.00 C ATOM 567 C ALA A 37 9.841 -8.393 -5.825 1.00 0.00 C ATOM 568 O ALA A 37 10.432 -9.336 -5.299 1.00 0.00 O ATOM 569 CB ALA A 37 7.544 -8.578 -6.796 1.00 0.00 C ATOM 0 H ALA A 37 7.716 -6.216 -6.005 1.00 0.00 H new ATOM 0 HA ALA A 37 8.055 -8.785 -4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.755 -9.620 -7.038 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.481 -8.463 -6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.815 -7.947 -7.642 1.00 0.00 H new ATOM 575 N ASP A 38 10.440 -7.523 -6.631 1.00 0.00 N ATOM 576 CA ASP A 38 11.859 -7.628 -6.950 1.00 0.00 C ATOM 577 C ASP A 38 12.528 -6.257 -6.913 1.00 0.00 C ATOM 578 O ASP A 38 11.963 -5.265 -7.376 1.00 0.00 O ATOM 579 CB ASP A 38 12.049 -8.264 -8.328 1.00 0.00 C ATOM 580 CG ASP A 38 13.370 -8.996 -8.451 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.416 -8.321 -8.552 1.00 0.00 O ATOM 582 OD2 ASP A 38 13.359 -10.245 -8.446 1.00 0.00 O ATOM 0 H ASP A 38 9.965 -6.737 -7.075 1.00 0.00 H new ATOM 0 HA ASP A 38 12.328 -8.262 -6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.232 -8.960 -8.519 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.994 -7.490 -9.093 1.00 0.00 H new ATOM 587 N THR A 39 13.735 -6.208 -6.358 1.00 0.00 N ATOM 588 CA THR A 39 14.479 -4.959 -6.258 1.00 0.00 C ATOM 589 C THR A 39 15.679 -4.957 -7.199 1.00 0.00 C ATOM 590 O THR A 39 16.655 -5.674 -6.977 1.00 0.00 O ATOM 591 CB THR A 39 14.970 -4.711 -4.819 1.00 0.00 C ATOM 592 OG1 THR A 39 15.361 -5.949 -4.215 1.00 0.00 O ATOM 593 CG2 THR A 39 13.883 -4.054 -3.982 1.00 0.00 C ATOM 0 H THR A 39 14.218 -7.019 -5.971 1.00 0.00 H new ATOM 0 HA THR A 39 13.795 -4.160 -6.544 1.00 0.00 H new ATOM 0 HB THR A 39 15.828 -4.041 -4.862 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.673 -5.783 -3.301 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.253 -3.889 -2.970 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.608 -3.098 -4.428 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.008 -4.703 -3.947 1.00 0.00 H new ATOM 601 N ASP A 40 15.599 -4.147 -8.249 1.00 0.00 N ATOM 602 CA ASP A 40 16.680 -4.050 -9.223 1.00 0.00 C ATOM 603 C ASP A 40 17.838 -3.224 -8.671 1.00 0.00 C ATOM 604 O ASP A 40 17.826 -2.821 -7.508 1.00 0.00 O ATOM 605 CB ASP A 40 16.169 -3.429 -10.524 1.00 0.00 C ATOM 606 CG ASP A 40 16.971 -3.871 -11.732 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.563 -4.970 -11.681 1.00 0.00 O ATOM 608 OD2 ASP A 40 17.008 -3.118 -12.727 1.00 0.00 O ATOM 0 H ASP A 40 14.797 -3.548 -8.447 1.00 0.00 H new ATOM 0 HA ASP A 40 17.042 -5.058 -9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.123 -3.701 -10.667 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.207 -2.343 -10.444 1.00 0.00 H new ATOM 613 N ASP A 41 18.835 -2.976 -9.513 1.00 0.00 N ATOM 614 CA ASP A 41 20.001 -2.198 -9.109 1.00 0.00 C ATOM 615 C ASP A 41 19.638 -0.727 -8.934 1.00 0.00 C ATOM 616 O ASP A 41 20.149 -0.053 -8.039 1.00 0.00 O ATOM 617 CB ASP A 41 21.119 -2.341 -10.143 1.00 0.00 C ATOM 618 CG ASP A 41 21.843 -3.668 -10.033 1.00 0.00 C ATOM 619 OD1 ASP A 41 21.174 -4.719 -10.127 1.00 0.00 O ATOM 620 OD2 ASP A 41 23.079 -3.656 -9.853 1.00 0.00 O ATOM 0 H ASP A 41 18.860 -3.302 -10.479 1.00 0.00 H new ATOM 0 HA ASP A 41 20.351 -2.584 -8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.699 -2.241 -11.144 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.834 -1.529 -10.015 1.00 0.00 H new ATOM 625 N HIS A 42 18.752 -0.234 -9.795 1.00 0.00 N ATOM 626 CA HIS A 42 18.321 1.158 -9.736 1.00 0.00 C ATOM 627 C HIS A 42 16.804 1.262 -9.862 1.00 0.00 C ATOM 628 O HIS A 42 16.262 2.350 -10.054 1.00 0.00 O ATOM 629 CB HIS A 42 18.994 1.969 -10.843 1.00 0.00 C ATOM 630 CG HIS A 42 19.321 1.164 -12.062 1.00 0.00 C ATOM 631 ND1 HIS A 42 20.418 1.414 -12.858 1.00 0.00 N ATOM 632 CD2 HIS A 42 18.687 0.106 -12.620 1.00 0.00 C ATOM 633 CE1 HIS A 42 20.445 0.546 -13.854 1.00 0.00 C ATOM 634 NE2 HIS A 42 19.405 -0.259 -13.732 1.00 0.00 N ATOM 0 H HIS A 42 18.319 -0.778 -10.541 1.00 0.00 H new ATOM 0 HA HIS A 42 18.616 1.564 -8.768 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.340 2.793 -11.127 1.00 0.00 H new ATOM 0 HB3 HIS A 42 19.911 2.410 -10.452 1.00 0.00 H new ATOM 0 HD2 HIS A 42 17.784 -0.364 -12.258 1.00 0.00 H new ATOM 0 HE1 HIS A 42 21.190 0.502 -14.634 1.00 0.00 H new ATOM 0 HE2 HIS A 42 19.173 -1.027 -14.362 1.00 0.00 H new ATOM 643 N ARG A 43 16.126 0.124 -9.753 1.00 0.00 N ATOM 644 CA ARG A 43 14.673 0.088 -9.857 1.00 0.00 C ATOM 645 C ARG A 43 14.089 -0.988 -8.946 1.00 0.00 C ATOM 646 O ARG A 43 14.822 -1.784 -8.360 1.00 0.00 O ATOM 647 CB ARG A 43 14.250 -0.170 -11.305 1.00 0.00 C ATOM 648 CG ARG A 43 14.959 0.719 -12.314 1.00 0.00 C ATOM 649 CD ARG A 43 14.101 0.957 -13.546 1.00 0.00 C ATOM 650 NE ARG A 43 14.909 1.166 -14.744 1.00 0.00 N ATOM 651 CZ ARG A 43 15.436 0.176 -15.457 1.00 0.00 C ATOM 652 NH1 ARG A 43 15.241 -1.084 -15.094 1.00 0.00 N ATOM 653 NH2 ARG A 43 16.161 0.446 -16.535 1.00 0.00 N ATOM 0 H ARG A 43 16.560 -0.785 -9.593 1.00 0.00 H new ATOM 0 HA ARG A 43 14.287 1.057 -9.540 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.446 -1.213 -11.552 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.174 -0.019 -11.393 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.204 1.674 -11.850 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.901 0.257 -12.609 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.441 0.103 -13.698 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.464 1.827 -13.382 1.00 0.00 H new ATOM 0 HE ARG A 43 15.078 2.124 -15.050 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.685 -1.296 -14.265 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.647 -1.842 -15.643 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.314 1.414 -16.817 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.565 -0.315 -17.082 1.00 0.00 H new ATOM 667 N VAL A 44 12.765 -1.005 -8.832 1.00 0.00 N ATOM 668 CA VAL A 44 12.082 -1.983 -7.994 1.00 0.00 C ATOM 669 C VAL A 44 10.695 -2.302 -8.540 1.00 0.00 C ATOM 670 O VAL A 44 9.832 -1.428 -8.623 1.00 0.00 O ATOM 671 CB VAL A 44 11.948 -1.482 -6.543 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.320 -1.302 -5.911 1.00 0.00 C ATOM 673 CG2 VAL A 44 11.157 -0.183 -6.499 1.00 0.00 C ATOM 0 H VAL A 44 12.144 -0.352 -9.310 1.00 0.00 H new ATOM 0 HA VAL A 44 12.690 -2.888 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 44 11.405 -2.231 -5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.205 -0.948 -4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.847 -2.256 -5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.892 -0.573 -6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.072 0.156 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.670 0.576 -7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.161 -0.349 -6.909 1.00 0.00 H new ATOM 683 N LYS A 45 10.487 -3.561 -8.910 1.00 0.00 N ATOM 684 CA LYS A 45 9.204 -3.999 -9.447 1.00 0.00 C ATOM 685 C LYS A 45 8.100 -3.857 -8.404 1.00 0.00 C ATOM 686 O LYS A 45 8.112 -4.535 -7.377 1.00 0.00 O ATOM 687 CB LYS A 45 9.293 -5.453 -9.916 1.00 0.00 C ATOM 688 CG LYS A 45 8.129 -5.883 -10.792 1.00 0.00 C ATOM 689 CD LYS A 45 8.460 -7.137 -11.583 1.00 0.00 C ATOM 690 CE LYS A 45 7.720 -7.170 -12.911 1.00 0.00 C ATOM 691 NZ LYS A 45 8.055 -8.385 -13.703 1.00 0.00 N ATOM 0 H LYS A 45 11.191 -4.297 -8.848 1.00 0.00 H new ATOM 0 HA LYS A 45 8.959 -3.364 -10.298 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.223 -5.591 -10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.340 -6.105 -9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.252 -6.065 -10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.871 -5.076 -11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.534 -7.182 -11.763 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.198 -8.018 -10.997 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.646 -7.140 -12.729 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.970 -6.280 -13.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.530 -8.370 -14.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.076 -8.401 -13.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.793 -9.234 -13.163 1.00 0.00 H new ATOM 705 N VAL A 46 7.146 -2.972 -8.674 1.00 0.00 N ATOM 706 CA VAL A 46 6.034 -2.743 -7.760 1.00 0.00 C ATOM 707 C VAL A 46 4.780 -3.472 -8.227 1.00 0.00 C ATOM 708 O VAL A 46 4.274 -3.221 -9.322 1.00 0.00 O ATOM 709 CB VAL A 46 5.720 -1.241 -7.623 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.811 -0.538 -6.829 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.553 -0.604 -8.994 1.00 0.00 C ATOM 0 H VAL A 46 7.121 -2.401 -9.519 1.00 0.00 H new ATOM 0 HA VAL A 46 6.337 -3.133 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 46 4.781 -1.132 -7.081 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.572 0.522 -6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.877 -0.978 -5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.766 -0.654 -7.341 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.332 0.457 -8.878 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.474 -0.722 -9.565 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.733 -1.090 -9.523 1.00 0.00 H new ATOM 721 N HIS A 47 4.281 -4.377 -7.391 1.00 0.00 N ATOM 722 CA HIS A 47 3.084 -5.143 -7.717 1.00 0.00 C ATOM 723 C HIS A 47 1.886 -4.650 -6.912 1.00 0.00 C ATOM 724 O HIS A 47 2.011 -4.325 -5.731 1.00 0.00 O ATOM 725 CB HIS A 47 3.316 -6.631 -7.449 1.00 0.00 C ATOM 726 CG HIS A 47 2.068 -7.455 -7.527 1.00 0.00 C ATOM 727 ND1 HIS A 47 1.679 -8.126 -8.668 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.120 -7.716 -6.597 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.545 -8.762 -8.436 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.185 -8.531 -7.187 1.00 0.00 N ATOM 0 H HIS A 47 4.688 -4.598 -6.482 1.00 0.00 H new ATOM 0 HA HIS A 47 2.870 -5.001 -8.776 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.039 -7.013 -8.169 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.758 -6.749 -6.460 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.102 -7.351 -5.581 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.004 -9.368 -9.147 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.652 -8.898 -6.734 1.00 0.00 H new ATOM 739 N PHE A 48 0.727 -4.595 -7.558 1.00 0.00 N ATOM 740 CA PHE A 48 -0.494 -4.139 -6.902 1.00 0.00 C ATOM 741 C PHE A 48 -1.304 -5.321 -6.378 1.00 0.00 C ATOM 742 O PHE A 48 -1.946 -6.037 -7.147 1.00 0.00 O ATOM 743 CB PHE A 48 -1.342 -3.315 -7.872 1.00 0.00 C ATOM 744 CG PHE A 48 -0.834 -1.916 -8.074 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.493 -1.688 -8.400 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.683 -0.830 -7.937 1.00 0.00 C ATOM 747 CE1 PHE A 48 0.965 -0.402 -8.587 1.00 0.00 C ATOM 748 CE2 PHE A 48 -1.217 0.458 -8.122 1.00 0.00 C ATOM 749 CZ PHE A 48 0.108 0.673 -8.447 1.00 0.00 C ATOM 0 H PHE A 48 0.607 -4.860 -8.535 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.210 -3.513 -6.056 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.375 -3.824 -8.836 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.366 -3.271 -7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.167 -2.525 -8.509 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.720 -0.991 -7.683 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.002 -0.238 -8.842 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.889 1.296 -8.012 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.474 1.679 -8.591 1.00 0.00 H new ATOM 759 N ASP A 49 -1.267 -5.520 -5.065 1.00 0.00 N ATOM 760 CA ASP A 49 -1.998 -6.615 -4.437 1.00 0.00 C ATOM 761 C ASP A 49 -3.403 -6.735 -5.019 1.00 0.00 C ATOM 762 O ASP A 49 -4.169 -5.772 -5.021 1.00 0.00 O ATOM 763 CB ASP A 49 -2.075 -6.403 -2.924 1.00 0.00 C ATOM 764 CG ASP A 49 -2.886 -7.479 -2.229 1.00 0.00 C ATOM 765 OD1 ASP A 49 -4.106 -7.559 -2.483 1.00 0.00 O ATOM 766 OD2 ASP A 49 -2.301 -8.242 -1.432 1.00 0.00 O ATOM 0 H ASP A 49 -0.739 -4.938 -4.415 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.461 -7.541 -4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.067 -6.388 -2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.518 -5.429 -2.719 1.00 0.00 H new ATOM 771 N GLY A 50 -3.734 -7.924 -5.513 1.00 0.00 N ATOM 772 CA GLY A 50 -5.046 -8.148 -6.092 1.00 0.00 C ATOM 773 C GLY A 50 -5.049 -7.987 -7.599 1.00 0.00 C ATOM 774 O GLY A 50 -5.692 -8.758 -8.310 1.00 0.00 O ATOM 0 H GLY A 50 -3.117 -8.736 -5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.386 -9.151 -5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.758 -7.449 -5.653 1.00 0.00 H new ATOM 778 N TRP A 51 -4.332 -6.981 -8.086 1.00 0.00 N ATOM 779 CA TRP A 51 -4.256 -6.720 -9.519 1.00 0.00 C ATOM 780 C TRP A 51 -3.583 -7.878 -10.248 1.00 0.00 C ATOM 781 O TRP A 51 -2.599 -8.438 -9.767 1.00 0.00 O ATOM 782 CB TRP A 51 -3.492 -5.422 -9.782 1.00 0.00 C ATOM 783 CG TRP A 51 -4.198 -4.203 -9.270 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.544 -3.940 -7.975 1.00 0.00 C ATOM 785 CD2 TRP A 51 -4.646 -3.084 -10.042 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.180 -2.724 -7.896 1.00 0.00 N ATOM 787 CE2 TRP A 51 -5.254 -2.179 -9.151 1.00 0.00 C ATOM 788 CE3 TRP A 51 -4.591 -2.757 -11.400 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -5.802 -0.971 -9.575 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -5.136 -1.559 -11.819 1.00 0.00 C ATOM 791 CH2 TRP A 51 -5.734 -0.677 -10.910 1.00 0.00 C ATOM 0 H TRP A 51 -3.795 -6.333 -7.510 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.272 -6.618 -9.899 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.509 -5.487 -9.316 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.330 -5.315 -10.855 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.347 -4.592 -7.137 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -5.539 -2.297 -7.042 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.131 -3.429 -12.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -6.264 -0.290 -8.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.100 -1.298 -12.866 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.149 0.253 -11.269 1.00 0.00 H new ATOM 841 N TYR A 55 -0.159 -5.995 -14.751 1.00 0.00 N ATOM 842 CA TYR A 55 0.041 -4.576 -14.480 1.00 0.00 C ATOM 843 C TYR A 55 1.456 -4.314 -13.972 1.00 0.00 C ATOM 844 O TYR A 55 2.094 -3.335 -14.359 1.00 0.00 O ATOM 845 CB TYR A 55 -0.980 -4.082 -13.455 1.00 0.00 C ATOM 846 CG TYR A 55 -2.410 -4.152 -13.943 1.00 0.00 C ATOM 847 CD1 TYR A 55 -2.937 -3.155 -14.754 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.234 -5.215 -13.591 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.243 -3.215 -15.202 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.540 -5.283 -14.035 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.040 -4.281 -14.840 1.00 0.00 C ATOM 852 OH TYR A 55 -6.341 -4.344 -15.283 1.00 0.00 O ATOM 0 HA TYR A 55 -0.098 -4.030 -15.413 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.886 -4.675 -12.546 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.746 -3.051 -13.189 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.316 -2.319 -15.039 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.846 -6.001 -12.960 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.637 -2.432 -15.832 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.166 -6.116 -13.753 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.765 -5.158 -14.939 1.00 0.00 H new ATOM 862 N ASP A 56 1.939 -5.196 -13.104 1.00 0.00 N ATOM 863 CA ASP A 56 3.279 -5.062 -12.544 1.00 0.00 C ATOM 864 C ASP A 56 4.241 -4.471 -13.570 1.00 0.00 C ATOM 865 O ASP A 56 4.313 -4.937 -14.708 1.00 0.00 O ATOM 866 CB ASP A 56 3.793 -6.421 -12.066 1.00 0.00 C ATOM 867 CG ASP A 56 3.222 -7.571 -12.872 1.00 0.00 C ATOM 868 OD1 ASP A 56 3.187 -7.465 -14.116 1.00 0.00 O ATOM 869 OD2 ASP A 56 2.812 -8.578 -12.259 1.00 0.00 O ATOM 0 H ASP A 56 1.423 -6.011 -12.773 1.00 0.00 H new ATOM 0 HA ASP A 56 3.224 -4.383 -11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.881 -6.439 -12.133 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.536 -6.554 -11.015 1.00 0.00 H new ATOM 874 N TYR A 57 4.977 -3.444 -13.161 1.00 0.00 N ATOM 875 CA TYR A 57 5.932 -2.788 -14.045 1.00 0.00 C ATOM 876 C TYR A 57 7.171 -2.342 -13.275 1.00 0.00 C ATOM 877 O TYR A 57 7.120 -2.134 -12.062 1.00 0.00 O ATOM 878 CB TYR A 57 5.282 -1.584 -14.729 1.00 0.00 C ATOM 879 CG TYR A 57 4.441 -0.740 -13.799 1.00 0.00 C ATOM 880 CD1 TYR A 57 5.023 -0.031 -12.755 1.00 0.00 C ATOM 881 CD2 TYR A 57 3.064 -0.651 -13.963 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.259 0.741 -11.902 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.292 0.119 -13.115 1.00 0.00 C ATOM 884 CZ TYR A 57 2.894 0.813 -12.086 1.00 0.00 C ATOM 885 OH TYR A 57 2.129 1.582 -11.239 1.00 0.00 O ATOM 0 H TYR A 57 4.930 -3.048 -12.222 1.00 0.00 H new ATOM 0 HA TYR A 57 6.238 -3.507 -14.804 1.00 0.00 H new ATOM 0 HB2 TYR A 57 6.062 -0.961 -15.166 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.658 -1.937 -15.550 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.092 -0.085 -12.608 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.589 -1.193 -14.767 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.728 1.285 -11.095 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.223 0.177 -13.257 1.00 0.00 H new ATOM 0 HH TYR A 57 1.790 1.025 -10.508 1.00 0.00 H new ATOM 895 N TRP A 58 8.282 -2.195 -13.987 1.00 0.00 N ATOM 896 CA TRP A 58 9.534 -1.772 -13.372 1.00 0.00 C ATOM 897 C TRP A 58 9.562 -0.261 -13.177 1.00 0.00 C ATOM 898 O TRP A 58 9.743 0.494 -14.134 1.00 0.00 O ATOM 899 CB TRP A 58 10.722 -2.211 -14.230 1.00 0.00 C ATOM 900 CG TRP A 58 11.170 -3.614 -13.952 1.00 0.00 C ATOM 901 CD1 TRP A 58 11.036 -4.695 -14.776 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.821 -4.087 -12.769 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.566 -5.812 -14.175 1.00 0.00 N ATOM 904 CE2 TRP A 58 12.054 -5.465 -12.944 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.232 -3.480 -11.579 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.678 -6.244 -11.972 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.851 -4.254 -10.616 1.00 0.00 C ATOM 908 CH2 TRP A 58 13.070 -5.624 -10.817 1.00 0.00 C ATOM 0 H TRP A 58 8.341 -2.363 -14.991 1.00 0.00 H new ATOM 0 HA TRP A 58 9.607 -2.246 -12.393 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.452 -2.125 -15.283 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.556 -1.530 -14.059 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.581 -4.675 -15.755 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.591 -6.748 -14.581 1.00 0.00 H new ATOM 0 HE3 TRP A 58 12.069 -2.425 -11.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.846 -7.300 -12.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.172 -3.795 -9.692 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.558 -6.201 -10.045 1.00 0.00 H new ATOM 919 N ILE A 59 9.384 0.176 -11.935 1.00 0.00 N ATOM 920 CA ILE A 59 9.390 1.598 -11.617 1.00 0.00 C ATOM 921 C ILE A 59 10.681 1.997 -10.911 1.00 0.00 C ATOM 922 O ILE A 59 11.231 1.230 -10.120 1.00 0.00 O ATOM 923 CB ILE A 59 8.192 1.982 -10.728 1.00 0.00 C ATOM 924 CG1 ILE A 59 8.006 3.500 -10.714 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.390 1.453 -9.315 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.723 3.945 -10.047 1.00 0.00 C ATOM 0 H ILE A 59 9.234 -0.435 -11.132 1.00 0.00 H new ATOM 0 HA ILE A 59 9.315 2.133 -12.564 1.00 0.00 H new ATOM 0 HB ILE A 59 7.291 1.529 -11.141 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.851 3.957 -10.199 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.020 3.869 -11.739 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.535 1.732 -8.699 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.478 0.367 -9.342 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.298 1.880 -8.890 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.657 5.033 -10.073 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.871 3.517 -10.575 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.715 3.606 -9.011 1.00 0.00 H new ATOM 938 N ASP A 60 11.159 3.203 -11.200 1.00 0.00 N ATOM 939 CA ASP A 60 12.384 3.706 -10.590 1.00 0.00 C ATOM 940 C ASP A 60 12.197 3.921 -9.092 1.00 0.00 C ATOM 941 O ASP A 60 11.294 4.641 -8.666 1.00 0.00 O ATOM 942 CB ASP A 60 12.810 5.015 -11.257 1.00 0.00 C ATOM 943 CG ASP A 60 13.241 4.819 -12.697 1.00 0.00 C ATOM 944 OD1 ASP A 60 12.356 4.663 -13.564 1.00 0.00 O ATOM 945 OD2 ASP A 60 14.462 4.819 -12.957 1.00 0.00 O ATOM 0 H ASP A 60 10.717 3.850 -11.853 1.00 0.00 H new ATOM 0 HA ASP A 60 13.166 2.961 -10.736 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.982 5.723 -11.222 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.631 5.456 -10.692 1.00 0.00 H new ATOM 950 N ALA A 61 13.056 3.291 -8.297 1.00 0.00 N ATOM 951 CA ALA A 61 12.985 3.414 -6.846 1.00 0.00 C ATOM 952 C ALA A 61 13.108 4.870 -6.412 1.00 0.00 C ATOM 953 O ALA A 61 12.568 5.268 -5.379 1.00 0.00 O ATOM 954 CB ALA A 61 14.072 2.573 -6.192 1.00 0.00 C ATOM 0 H ALA A 61 13.809 2.691 -8.633 1.00 0.00 H new ATOM 0 HA ALA A 61 12.011 3.047 -6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.008 2.674 -5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.938 1.527 -6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.050 2.915 -6.531 1.00 0.00 H new ATOM 960 N ASP A 62 13.821 5.661 -7.206 1.00 0.00 N ATOM 961 CA ASP A 62 14.013 7.075 -6.904 1.00 0.00 C ATOM 962 C ASP A 62 12.961 7.929 -7.604 1.00 0.00 C ATOM 963 O ASP A 62 13.118 9.143 -7.733 1.00 0.00 O ATOM 964 CB ASP A 62 15.414 7.522 -7.326 1.00 0.00 C ATOM 965 CG ASP A 62 16.507 6.739 -6.627 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.397 6.532 -5.401 1.00 0.00 O ATOM 967 OD2 ASP A 62 17.474 6.333 -7.306 1.00 0.00 O ATOM 0 H ASP A 62 14.276 5.347 -8.064 1.00 0.00 H new ATOM 0 HA ASP A 62 13.905 7.209 -5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.520 7.405 -8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.535 8.583 -7.107 1.00 0.00 H new ATOM 972 N SER A 63 11.888 7.286 -8.054 1.00 0.00 N ATOM 973 CA SER A 63 10.811 7.985 -8.745 1.00 0.00 C ATOM 974 C SER A 63 9.995 8.827 -7.768 1.00 0.00 C ATOM 975 O SER A 63 9.742 8.432 -6.630 1.00 0.00 O ATOM 976 CB SER A 63 9.900 6.985 -9.459 1.00 0.00 C ATOM 977 OG SER A 63 9.022 7.644 -10.354 1.00 0.00 O ATOM 0 H SER A 63 11.742 6.282 -7.952 1.00 0.00 H new ATOM 0 HA SER A 63 11.258 8.649 -9.484 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.506 6.262 -10.005 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.322 6.425 -8.724 1.00 0.00 H new ATOM 0 HG SER A 63 8.451 6.983 -10.799 1.00 0.00 H new ATOM 983 N PRO A 64 9.573 10.016 -8.223 1.00 0.00 N ATOM 984 CA PRO A 64 8.779 10.939 -7.406 1.00 0.00 C ATOM 985 C PRO A 64 7.366 10.422 -7.156 1.00 0.00 C ATOM 986 O PRO A 64 6.745 10.750 -6.145 1.00 0.00 O ATOM 987 CB PRO A 64 8.740 12.215 -8.250 1.00 0.00 C ATOM 988 CG PRO A 64 8.933 11.749 -9.651 1.00 0.00 C ATOM 989 CD PRO A 64 9.838 10.551 -9.569 1.00 0.00 C ATOM 0 HA PRO A 64 9.210 11.080 -6.415 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.790 12.737 -8.134 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.525 12.910 -7.953 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.980 11.487 -10.110 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.377 12.532 -10.265 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.609 9.820 -10.344 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.885 10.829 -9.692 1.00 0.00 H new ATOM 997 N ASP A 65 6.864 9.614 -8.083 1.00 0.00 N ATOM 998 CA ASP A 65 5.525 9.051 -7.962 1.00 0.00 C ATOM 999 C ASP A 65 5.462 8.038 -6.823 1.00 0.00 C ATOM 1000 O ASP A 65 4.435 7.902 -6.156 1.00 0.00 O ATOM 1001 CB ASP A 65 5.107 8.387 -9.275 1.00 0.00 C ATOM 1002 CG ASP A 65 5.614 9.138 -10.490 1.00 0.00 C ATOM 1003 OD1 ASP A 65 5.383 10.363 -10.570 1.00 0.00 O ATOM 1004 OD2 ASP A 65 6.243 8.501 -11.361 1.00 0.00 O ATOM 0 H ASP A 65 7.364 9.334 -8.927 1.00 0.00 H new ATOM 0 HA ASP A 65 4.835 9.865 -7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.486 7.365 -9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.020 8.325 -9.317 1.00 0.00 H new ATOM 1009 N ILE A 66 6.565 7.329 -6.606 1.00 0.00 N ATOM 1010 CA ILE A 66 6.634 6.329 -5.548 1.00 0.00 C ATOM 1011 C ILE A 66 6.473 6.970 -4.174 1.00 0.00 C ATOM 1012 O ILE A 66 7.203 7.897 -3.820 1.00 0.00 O ATOM 1013 CB ILE A 66 7.966 5.558 -5.589 1.00 0.00 C ATOM 1014 CG1 ILE A 66 8.036 4.683 -6.843 1.00 0.00 C ATOM 1015 CG2 ILE A 66 8.127 4.710 -4.336 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.359 3.969 -7.008 1.00 0.00 C ATOM 0 H ILE A 66 7.423 7.429 -7.149 1.00 0.00 H new ATOM 0 HA ILE A 66 5.814 5.632 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 66 8.784 6.278 -5.624 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.236 3.944 -6.806 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.856 5.304 -7.720 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.074 4.171 -4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.117 5.354 -3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.306 3.996 -4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.337 3.368 -7.917 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.162 4.703 -7.077 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.533 3.321 -6.149 1.00 0.00 H new ATOM 1028 N HIS A 67 5.513 6.470 -3.402 1.00 0.00 N ATOM 1029 CA HIS A 67 5.258 6.992 -2.065 1.00 0.00 C ATOM 1030 C HIS A 67 5.218 5.864 -1.039 1.00 0.00 C ATOM 1031 O HIS A 67 4.737 4.763 -1.310 1.00 0.00 O ATOM 1032 CB HIS A 67 3.940 7.766 -2.040 1.00 0.00 C ATOM 1033 CG HIS A 67 3.877 8.875 -3.045 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.675 9.998 -2.977 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.107 9.029 -4.147 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.397 10.795 -3.993 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.449 10.230 -4.718 1.00 0.00 N ATOM 0 H HIS A 67 4.899 5.704 -3.680 1.00 0.00 H new ATOM 0 HA HIS A 67 6.073 7.667 -1.804 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.118 7.074 -2.223 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.791 8.181 -1.043 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.362 8.336 -4.510 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.865 11.747 -4.196 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.037 10.622 -5.565 1.00 0.00 H new ATOM 1046 N PRO A 68 5.735 6.141 0.167 1.00 0.00 N ATOM 1047 CA PRO A 68 5.770 5.161 1.257 1.00 0.00 C ATOM 1048 C PRO A 68 4.382 4.862 1.813 1.00 0.00 C ATOM 1049 O PRO A 68 3.484 5.701 1.751 1.00 0.00 O ATOM 1050 CB PRO A 68 6.636 5.844 2.320 1.00 0.00 C ATOM 1051 CG PRO A 68 6.488 7.301 2.049 1.00 0.00 C ATOM 1052 CD PRO A 68 6.325 7.432 0.560 1.00 0.00 C ATOM 0 HA PRO A 68 6.157 4.197 0.926 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.300 5.592 3.326 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.677 5.531 2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.624 7.709 2.573 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.362 7.853 2.396 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.675 8.267 0.299 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.280 7.605 0.065 1.00 0.00 H new ATOM 1060 N VAL A 69 4.214 3.660 2.356 1.00 0.00 N ATOM 1061 CA VAL A 69 2.935 3.251 2.924 1.00 0.00 C ATOM 1062 C VAL A 69 2.340 4.355 3.792 1.00 0.00 C ATOM 1063 O VAL A 69 1.123 4.460 3.932 1.00 0.00 O ATOM 1064 CB VAL A 69 3.080 1.971 3.769 1.00 0.00 C ATOM 1065 CG1 VAL A 69 1.889 1.808 4.700 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.236 0.754 2.870 1.00 0.00 C ATOM 0 H VAL A 69 4.947 2.953 2.414 1.00 0.00 H new ATOM 0 HA VAL A 69 2.266 3.051 2.087 1.00 0.00 H new ATOM 0 HB VAL A 69 3.978 2.060 4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.009 0.899 5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.829 2.667 5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.974 1.741 4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.337 -0.141 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.358 0.659 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.125 0.871 2.250 1.00 0.00 H new ATOM 1076 N GLY A 70 3.209 5.177 4.372 1.00 0.00 N ATOM 1077 CA GLY A 70 2.751 6.264 5.218 1.00 0.00 C ATOM 1078 C GLY A 70 2.699 7.588 4.483 1.00 0.00 C ATOM 1079 O GLY A 70 3.112 8.618 5.016 1.00 0.00 O ATOM 0 H GLY A 70 4.222 5.110 4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.760 6.027 5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.414 6.355 6.078 1.00 0.00 H new ATOM 1083 N TRP A 71 2.190 7.563 3.257 1.00 0.00 N ATOM 1084 CA TRP A 71 2.087 8.771 2.447 1.00 0.00 C ATOM 1085 C TRP A 71 0.705 9.401 2.583 1.00 0.00 C ATOM 1086 O TRP A 71 0.581 10.583 2.908 1.00 0.00 O ATOM 1087 CB TRP A 71 2.373 8.452 0.979 1.00 0.00 C ATOM 1088 CG TRP A 71 2.249 9.643 0.077 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.239 10.520 -0.264 1.00 0.00 C ATOM 1090 CD2 TRP A 71 1.067 10.088 -0.597 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.744 11.483 -1.109 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.414 11.240 -1.330 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.250 9.625 -0.655 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.490 11.933 -2.108 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.166 10.314 -1.428 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.792 11.457 -2.146 1.00 0.00 C ATOM 0 H TRP A 71 1.842 6.719 2.802 1.00 0.00 H new ATOM 0 HA TRP A 71 2.828 9.484 2.807 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.380 8.043 0.893 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.685 7.677 0.642 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.261 10.464 0.080 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.280 12.254 -1.507 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.547 8.744 -0.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.775 12.815 -2.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.187 9.965 -1.479 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.531 11.973 -2.742 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.330 8.607 2.334 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.703 9.088 2.429 1.00 0.00 C ATOM 1109 C CYS A 72 -1.870 10.023 3.623 1.00 0.00 C ATOM 1110 O CYS A 72 -2.582 11.025 3.544 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.671 7.910 2.549 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.366 6.846 3.979 1.00 0.00 S ATOM 0 H CYS A 72 -0.244 7.627 2.065 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.931 9.645 1.520 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.689 8.295 2.607 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.608 7.308 1.642 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.714 5.787 3.601 1.00 0.00 H new ATOM 1118 N SER A 73 -1.211 9.688 4.727 1.00 0.00 N ATOM 1119 CA SER A 73 -1.291 10.495 5.939 1.00 0.00 C ATOM 1120 C SER A 73 -0.438 11.753 5.812 1.00 0.00 C ATOM 1121 O SER A 73 -0.947 12.872 5.873 1.00 0.00 O ATOM 1122 CB SER A 73 -0.839 9.678 7.152 1.00 0.00 C ATOM 1123 OG SER A 73 -1.057 10.391 8.357 1.00 0.00 O ATOM 0 H SER A 73 -0.616 8.864 4.808 1.00 0.00 H new ATOM 0 HA SER A 73 -2.330 10.795 6.078 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.382 8.734 7.181 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.219 9.434 7.056 1.00 0.00 H new ATOM 0 HG SER A 73 -0.762 9.847 9.117 1.00 0.00 H new ATOM 1129 N LYS A 74 0.865 11.561 5.634 1.00 0.00 N ATOM 1130 CA LYS A 74 1.792 12.677 5.497 1.00 0.00 C ATOM 1131 C LYS A 74 1.167 13.806 4.683 1.00 0.00 C ATOM 1132 O LYS A 74 1.185 14.967 5.095 1.00 0.00 O ATOM 1133 CB LYS A 74 3.089 12.212 4.831 1.00 0.00 C ATOM 1134 CG LYS A 74 4.141 11.734 5.817 1.00 0.00 C ATOM 1135 CD LYS A 74 5.447 11.395 5.118 1.00 0.00 C ATOM 1136 CE LYS A 74 6.153 12.645 4.617 1.00 0.00 C ATOM 1137 NZ LYS A 74 7.628 12.456 4.537 1.00 0.00 N ATOM 0 H LYS A 74 1.303 10.641 5.581 1.00 0.00 H new ATOM 0 HA LYS A 74 2.018 13.053 6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.861 11.404 4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.500 13.033 4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.318 12.507 6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.772 10.856 6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.100 10.858 5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.249 10.727 4.280 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.767 12.910 3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.930 13.479 5.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.072 13.331 4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.001 12.228 5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.843 11.677 3.883 1.00 0.00 H new ATOM 1151 N THR A 75 0.614 13.459 3.525 1.00 0.00 N ATOM 1152 CA THR A 75 -0.017 14.442 2.654 1.00 0.00 C ATOM 1153 C THR A 75 -1.485 14.637 3.017 1.00 0.00 C ATOM 1154 O THR A 75 -1.959 15.766 3.141 1.00 0.00 O ATOM 1155 CB THR A 75 0.083 14.027 1.174 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.348 12.671 1.015 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.509 14.174 0.666 1.00 0.00 C ATOM 0 H THR A 75 0.591 12.504 3.169 1.00 0.00 H new ATOM 0 HA THR A 75 0.518 15.381 2.798 1.00 0.00 H new ATOM 0 HB THR A 75 -0.563 14.684 0.591 1.00 0.00 H new ATOM 0 HG1 THR A 75 0.060 12.290 0.210 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.555 13.875 -0.381 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.824 15.213 0.761 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.172 13.539 1.254 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.200 13.530 3.187 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.607 13.601 3.536 1.00 0.00 C ATOM 1167 C GLY A 76 -4.512 13.288 2.361 1.00 0.00 C ATOM 1168 O GLY A 76 -5.595 13.859 2.232 1.00 0.00 O ATOM 0 H GLY A 76 -1.830 12.584 3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.813 12.901 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.835 14.599 3.911 1.00 0.00 H new ATOM 1172 N HIS A 77 -4.067 12.379 1.499 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.844 11.991 0.327 1.00 0.00 C ATOM 1174 C HIS A 77 -5.544 10.655 0.557 1.00 0.00 C ATOM 1175 O HIS A 77 -5.066 9.795 1.297 1.00 0.00 O ATOM 1176 CB HIS A 77 -3.941 11.902 -0.903 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.814 13.195 -1.649 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -3.369 14.361 -1.063 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -4.076 13.501 -2.941 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -3.364 15.329 -1.962 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.788 14.833 -3.110 1.00 0.00 N ATOM 0 H HIS A 77 -3.172 11.897 1.590 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.603 12.754 0.156 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.949 11.573 -0.592 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.333 11.140 -1.577 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.443 12.824 -3.698 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.064 16.352 -1.788 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.886 15.355 -3.981 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.705 10.476 -0.090 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.496 9.247 0.028 1.00 0.00 C ATOM 1192 C PRO A 78 -6.823 8.057 -0.647 1.00 0.00 C ATOM 1193 O PRO A 78 -6.323 8.167 -1.767 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.804 9.597 -0.685 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.435 10.673 -1.648 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.335 11.458 -0.988 1.00 0.00 C ATOM 0 HA PRO A 78 -7.628 8.946 1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.218 8.730 -1.200 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.560 9.940 0.021 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.099 10.251 -2.595 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.291 11.310 -1.869 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.626 11.847 -1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.727 12.313 -0.437 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.813 6.920 0.041 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.201 5.709 -0.493 1.00 0.00 C ATOM 1206 C LEU A 79 -7.266 4.691 -0.891 1.00 0.00 C ATOM 1207 O LEU A 79 -8.263 4.517 -0.192 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.254 5.095 0.539 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.338 3.981 0.030 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.298 4.541 -0.929 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.663 3.272 1.195 1.00 0.00 C ATOM 0 H LEU A 79 -7.222 6.812 0.969 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.633 5.980 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.632 5.890 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.851 4.700 1.361 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.946 3.255 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.655 3.734 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.799 5.003 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.694 5.288 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.015 2.482 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.068 3.988 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.422 2.837 1.845 1.00 0.00 H new ATOM 1223 N GLN A 80 -7.045 4.021 -2.017 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.985 3.019 -2.507 1.00 0.00 C ATOM 1225 C GLN A 80 -7.505 1.611 -2.169 1.00 0.00 C ATOM 1226 O GLN A 80 -6.369 1.232 -2.452 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.169 3.159 -4.019 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.787 4.484 -4.437 1.00 0.00 C ATOM 1229 CD GLN A 80 -10.276 4.547 -4.158 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -10.732 5.345 -3.339 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -11.042 3.705 -4.840 1.00 0.00 N ATOM 0 H GLN A 80 -6.224 4.153 -2.607 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.943 3.184 -2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.200 3.050 -4.506 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.799 2.345 -4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.288 5.296 -3.909 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.614 4.642 -5.501 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.621 3.060 -5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.052 3.702 -4.695 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.390 0.817 -1.548 1.00 0.00 N ATOM 1241 CA PRO A 81 -8.080 -0.561 -1.159 1.00 0.00 C ATOM 1242 C PRO A 81 -7.945 -1.488 -2.362 1.00 0.00 C ATOM 1243 O PRO A 81 -8.539 -1.265 -3.417 1.00 0.00 O ATOM 1244 CB PRO A 81 -9.283 -0.967 -0.303 1.00 0.00 C ATOM 1245 CG PRO A 81 -10.396 -0.099 -0.779 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.762 1.204 -1.180 1.00 0.00 C ATOM 0 HA PRO A 81 -7.125 -0.632 -0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.522 -2.023 -0.431 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.085 -0.811 0.757 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.915 -0.556 -1.622 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.136 0.053 0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.287 1.666 -2.016 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.771 1.924 -0.361 1.00 0.00 H new ATOM 1254 N PRO A 82 -7.146 -2.553 -2.203 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.915 -3.535 -3.267 1.00 0.00 C ATOM 1256 C PRO A 82 -8.151 -4.382 -3.552 1.00 0.00 C ATOM 1257 O PRO A 82 -9.188 -4.222 -2.906 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.788 -4.406 -2.707 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.908 -4.277 -1.227 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.406 -2.881 -0.973 1.00 0.00 C ATOM 0 HA PRO A 82 -6.672 -3.058 -4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.895 -5.443 -3.024 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.813 -4.065 -3.056 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.600 -5.017 -0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.946 -4.443 -0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.049 -2.838 -0.094 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.584 -2.186 -0.801 1.00 0.00 H new