USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 500 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 24 MET CE :methyl -141:sc= -1.83 (180deg=0) USER MOD Set 1.2: A 27 TYR OH : rot -179:sc= 1.32 USER MOD Set 1.3: A 60 HIS : no HD1:sc= -2.59! C(o=-3.1!,f=-13!) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= -0.564 USER MOD Set 2.2: A 16 SER OG : rot 83:sc= 0.119 USER MOD Single : A 21 SER OG : rot -84:sc= 0.493 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.7!) USER MOD Single : A 28 THR OG1 : rot 105:sc= -0.898! USER MOD Single : A 30 HIS : no HD1:sc= -0.19 K(o=-0.19,f=-0.74) USER MOD Single : A 32 MET CE :methyl -133:sc= -0.592 (180deg=-3.33!) USER MOD Single : A 36 TYR OH : rot -91:sc= 0.0201 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0381 X(o=-0.038,f=-0.38) USER MOD Single : A 45 MET CE :methyl 164:sc= -0.343 (180deg=-1.37) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 47 ASN : amide:sc= -0.354 K(o=-0.35,f=-1.9) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.14 X(o=-2.1,f=-2.3) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -111:sc= -0.154 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N ARG A 13 24.295 -14.860 -11.755 1.00 0.00 N ATOM 139 CA ARG A 13 23.652 -14.892 -13.063 1.00 0.00 C ATOM 140 C ARG A 13 23.804 -16.265 -13.710 1.00 0.00 C ATOM 141 O ARG A 13 22.950 -16.697 -14.486 1.00 0.00 O ATOM 142 CB ARG A 13 24.248 -13.817 -13.974 1.00 0.00 C ATOM 143 CG ARG A 13 25.752 -13.940 -14.157 1.00 0.00 C ATOM 144 CD ARG A 13 26.453 -12.612 -13.918 1.00 0.00 C ATOM 145 NE ARG A 13 27.542 -12.390 -14.864 1.00 0.00 N ATOM 146 CZ ARG A 13 27.360 -11.954 -16.106 1.00 0.00 C ATOM 147 NH1 ARG A 13 26.137 -11.695 -16.548 1.00 0.00 N ATOM 148 NH2 ARG A 13 28.402 -11.776 -16.908 1.00 0.00 N ATOM 0 HA ARG A 13 22.590 -14.692 -12.923 1.00 0.00 H new ATOM 0 HB2 ARG A 13 23.766 -13.872 -14.950 1.00 0.00 H new ATOM 0 HB3 ARG A 13 24.020 -12.835 -13.560 1.00 0.00 H new ATOM 0 HG2 ARG A 13 26.143 -14.688 -13.468 1.00 0.00 H new ATOM 0 HG3 ARG A 13 25.969 -14.291 -15.166 1.00 0.00 H new ATOM 0 HD2 ARG A 13 25.730 -11.800 -14.001 1.00 0.00 H new ATOM 0 HD3 ARG A 13 26.845 -12.587 -12.901 1.00 0.00 H new ATOM 0 HE ARG A 13 28.495 -12.580 -14.555 1.00 0.00 H new ATOM 0 HH11 ARG A 13 25.334 -11.830 -15.934 1.00 0.00 H new ATOM 0 HH12 ARG A 13 26.000 -11.360 -17.502 1.00 0.00 H new ATOM 0 HH21 ARG A 13 29.344 -11.974 -16.571 1.00 0.00 H new ATOM 0 HH22 ARG A 13 28.261 -11.441 -17.861 1.00 0.00 H new ATOM 162 N THR A 14 24.898 -16.948 -13.387 1.00 0.00 N ATOM 163 CA THR A 14 25.164 -18.271 -13.938 1.00 0.00 C ATOM 164 C THR A 14 25.247 -19.319 -12.835 1.00 0.00 C ATOM 165 O THR A 14 25.419 -18.988 -11.661 1.00 0.00 O ATOM 166 CB THR A 14 26.474 -18.289 -14.748 1.00 0.00 C ATOM 167 OG1 THR A 14 27.589 -18.050 -13.882 1.00 0.00 O ATOM 168 CG2 THR A 14 26.445 -17.239 -15.848 1.00 0.00 C ATOM 0 H THR A 14 25.614 -16.606 -12.746 1.00 0.00 H new ATOM 0 HA THR A 14 24.333 -18.511 -14.601 1.00 0.00 H new ATOM 0 HB THR A 14 26.577 -19.272 -15.209 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.418 -18.065 -14.404 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.381 -17.271 -16.406 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.613 -17.441 -16.522 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.321 -16.251 -15.405 1.00 0.00 H new ATOM 176 N VAL A 15 25.123 -20.586 -13.218 1.00 0.00 N ATOM 177 CA VAL A 15 25.187 -21.684 -12.260 1.00 0.00 C ATOM 178 C VAL A 15 26.600 -21.857 -11.715 1.00 0.00 C ATOM 179 O VAL A 15 26.788 -22.234 -10.559 1.00 0.00 O ATOM 180 CB VAL A 15 24.727 -23.010 -12.896 1.00 0.00 C ATOM 181 CG1 VAL A 15 24.823 -24.146 -11.889 1.00 0.00 C ATOM 182 CG2 VAL A 15 23.309 -22.880 -13.432 1.00 0.00 C ATOM 0 H VAL A 15 24.978 -20.878 -14.185 1.00 0.00 H new ATOM 0 HA VAL A 15 24.514 -21.429 -11.441 1.00 0.00 H new ATOM 0 HB VAL A 15 25.387 -23.240 -13.732 1.00 0.00 H new ATOM 0 HG11 VAL A 15 24.494 -25.075 -12.356 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.856 -24.252 -11.558 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.188 -23.926 -11.031 1.00 0.00 H new ATOM 0 HG21 VAL A 15 23.000 -23.826 -13.878 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.633 -22.626 -12.615 1.00 0.00 H new ATOM 0 HG23 VAL A 15 23.276 -22.095 -14.188 1.00 0.00 H new ATOM 192 N SER A 16 27.591 -21.579 -12.556 1.00 0.00 N ATOM 193 CA SER A 16 28.988 -21.708 -12.160 1.00 0.00 C ATOM 194 C SER A 16 29.313 -20.769 -11.002 1.00 0.00 C ATOM 195 O SER A 16 29.858 -21.191 -9.983 1.00 0.00 O ATOM 196 CB SER A 16 29.906 -21.408 -13.347 1.00 0.00 C ATOM 197 OG SER A 16 29.163 -21.277 -14.546 1.00 0.00 O ATOM 0 H SER A 16 27.452 -21.263 -13.516 1.00 0.00 H new ATOM 0 HA SER A 16 29.154 -22.734 -11.831 1.00 0.00 H new ATOM 0 HB2 SER A 16 30.462 -20.490 -13.158 1.00 0.00 H new ATOM 0 HB3 SER A 16 30.639 -22.208 -13.455 1.00 0.00 H new ATOM 0 HG SER A 16 28.802 -20.368 -14.610 1.00 0.00 H new ATOM 203 N GLU A 17 28.973 -19.495 -11.167 1.00 0.00 N ATOM 204 CA GLU A 17 29.229 -18.497 -10.136 1.00 0.00 C ATOM 205 C GLU A 17 28.615 -18.920 -8.804 1.00 0.00 C ATOM 206 O GLU A 17 29.090 -18.529 -7.738 1.00 0.00 O ATOM 207 CB GLU A 17 28.667 -17.138 -10.559 1.00 0.00 C ATOM 208 CG GLU A 17 29.194 -16.653 -11.899 1.00 0.00 C ATOM 209 CD GLU A 17 30.286 -15.611 -11.755 1.00 0.00 C ATOM 210 OE1 GLU A 17 29.966 -14.466 -11.369 1.00 0.00 O ATOM 211 OE2 GLU A 17 31.459 -15.939 -12.026 1.00 0.00 O ATOM 0 H GLU A 17 28.520 -19.130 -12.005 1.00 0.00 H new ATOM 0 HA GLU A 17 30.308 -18.413 -10.009 1.00 0.00 H new ATOM 0 HB2 GLU A 17 27.580 -17.203 -10.607 1.00 0.00 H new ATOM 0 HB3 GLU A 17 28.909 -16.400 -9.794 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.580 -17.503 -12.462 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.371 -16.234 -12.478 1.00 0.00 H new ATOM 218 N TRP A 18 27.558 -19.721 -8.875 1.00 0.00 N ATOM 219 CA TRP A 18 26.879 -20.198 -7.676 1.00 0.00 C ATOM 220 C TRP A 18 27.587 -21.418 -7.097 1.00 0.00 C ATOM 221 O TRP A 18 28.005 -21.414 -5.938 1.00 0.00 O ATOM 222 CB TRP A 18 25.422 -20.541 -7.992 1.00 0.00 C ATOM 223 CG TRP A 18 24.717 -21.233 -6.866 1.00 0.00 C ATOM 224 CD1 TRP A 18 24.490 -20.738 -5.613 1.00 0.00 C ATOM 225 CD2 TRP A 18 24.148 -22.547 -6.889 1.00 0.00 C ATOM 226 NE1 TRP A 18 23.815 -21.665 -4.856 1.00 0.00 N ATOM 227 CE2 TRP A 18 23.592 -22.782 -5.616 1.00 0.00 C ATOM 228 CE3 TRP A 18 24.052 -23.546 -7.861 1.00 0.00 C ATOM 229 CZ2 TRP A 18 22.952 -23.976 -5.293 1.00 0.00 C ATOM 230 CZ3 TRP A 18 23.417 -24.730 -7.539 1.00 0.00 C ATOM 231 CH2 TRP A 18 22.873 -24.937 -6.264 1.00 0.00 C ATOM 0 H TRP A 18 27.153 -20.054 -9.750 1.00 0.00 H new ATOM 0 HA TRP A 18 26.905 -19.400 -6.933 1.00 0.00 H new ATOM 0 HB2 TRP A 18 24.886 -19.625 -8.238 1.00 0.00 H new ATOM 0 HB3 TRP A 18 25.390 -21.177 -8.877 1.00 0.00 H new ATOM 0 HD1 TRP A 18 24.796 -19.761 -5.268 1.00 0.00 H new ATOM 0 HE1 TRP A 18 23.527 -21.541 -3.885 1.00 0.00 H new ATOM 0 HE3 TRP A 18 24.467 -23.395 -8.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 22.533 -24.138 -4.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 23.338 -25.509 -8.282 1.00 0.00 H new ATOM 0 HH2 TRP A 18 22.382 -25.873 -6.044 1.00 0.00 H new ATOM 242 N LEU A 19 27.720 -22.460 -7.910 1.00 0.00 N ATOM 243 CA LEU A 19 28.379 -23.688 -7.478 1.00 0.00 C ATOM 244 C LEU A 19 29.783 -23.398 -6.959 1.00 0.00 C ATOM 245 O LEU A 19 30.167 -23.865 -5.887 1.00 0.00 O ATOM 246 CB LEU A 19 28.446 -24.687 -8.634 1.00 0.00 C ATOM 247 CG LEU A 19 27.222 -25.586 -8.816 1.00 0.00 C ATOM 248 CD1 LEU A 19 27.397 -26.486 -10.030 1.00 0.00 C ATOM 249 CD2 LEU A 19 26.979 -26.416 -7.565 1.00 0.00 C ATOM 0 H LEU A 19 27.380 -22.479 -8.872 1.00 0.00 H new ATOM 0 HA LEU A 19 27.794 -24.120 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 19 28.605 -24.132 -9.559 1.00 0.00 H new ATOM 0 HB3 LEU A 19 29.320 -25.322 -8.489 1.00 0.00 H new ATOM 0 HG LEU A 19 26.351 -24.952 -8.982 1.00 0.00 H new ATOM 0 HD11 LEU A 19 26.517 -27.119 -10.144 1.00 0.00 H new ATOM 0 HD12 LEU A 19 27.521 -25.873 -10.923 1.00 0.00 H new ATOM 0 HD13 LEU A 19 28.279 -27.112 -9.894 1.00 0.00 H new ATOM 0 HD21 LEU A 19 26.104 -27.049 -7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 19 27.850 -27.041 -7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 19 26.808 -25.754 -6.716 1.00 0.00 H new ATOM 261 N GLU A 20 30.544 -22.623 -7.725 1.00 0.00 N ATOM 262 CA GLU A 20 31.906 -22.270 -7.341 1.00 0.00 C ATOM 263 C GLU A 20 31.937 -21.668 -5.939 1.00 0.00 C ATOM 264 O GLU A 20 32.910 -21.832 -5.203 1.00 0.00 O ATOM 265 CB GLU A 20 32.503 -21.282 -8.345 1.00 0.00 C ATOM 266 CG GLU A 20 31.957 -19.871 -8.209 1.00 0.00 C ATOM 267 CD GLU A 20 32.601 -18.900 -9.180 1.00 0.00 C ATOM 268 OE1 GLU A 20 32.905 -19.314 -10.318 1.00 0.00 O ATOM 269 OE2 GLU A 20 32.802 -17.727 -8.801 1.00 0.00 O ATOM 0 H GLU A 20 30.241 -22.228 -8.615 1.00 0.00 H new ATOM 0 HA GLU A 20 32.504 -23.182 -7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 20 33.585 -21.257 -8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 20 32.309 -21.642 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 20 30.880 -19.885 -8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 20 32.118 -19.520 -7.190 1.00 0.00 H new ATOM 276 N SER A 21 30.864 -20.971 -5.577 1.00 0.00 N ATOM 277 CA SER A 21 30.770 -20.340 -4.265 1.00 0.00 C ATOM 278 C SER A 21 30.847 -21.383 -3.154 1.00 0.00 C ATOM 279 O SER A 21 31.301 -21.093 -2.047 1.00 0.00 O ATOM 280 CB SER A 21 29.465 -19.550 -4.149 1.00 0.00 C ATOM 281 OG SER A 21 28.482 -20.289 -3.444 1.00 0.00 O ATOM 0 H SER A 21 30.049 -20.829 -6.173 1.00 0.00 H new ATOM 0 HA SER A 21 31.612 -19.656 -4.156 1.00 0.00 H new ATOM 0 HB2 SER A 21 29.652 -18.606 -3.637 1.00 0.00 H new ATOM 0 HB3 SER A 21 29.095 -19.304 -5.145 1.00 0.00 H new ATOM 0 HG SER A 21 28.019 -20.892 -4.063 1.00 0.00 H new ATOM 287 N ILE A 22 30.400 -22.597 -3.459 1.00 0.00 N ATOM 288 CA ILE A 22 30.419 -23.683 -2.487 1.00 0.00 C ATOM 289 C ILE A 22 31.406 -24.770 -2.897 1.00 0.00 C ATOM 290 O ILE A 22 31.278 -25.926 -2.493 1.00 0.00 O ATOM 291 CB ILE A 22 29.023 -24.311 -2.317 1.00 0.00 C ATOM 292 CG1 ILE A 22 28.514 -24.847 -3.656 1.00 0.00 C ATOM 293 CG2 ILE A 22 28.050 -23.291 -1.745 1.00 0.00 C ATOM 294 CD1 ILE A 22 27.149 -25.493 -3.569 1.00 0.00 C ATOM 0 H ILE A 22 30.021 -22.853 -4.371 1.00 0.00 H new ATOM 0 HA ILE A 22 30.732 -23.250 -1.537 1.00 0.00 H new ATOM 0 HB ILE A 22 29.099 -25.144 -1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 22 28.474 -24.028 -4.374 1.00 0.00 H new ATOM 0 HG13 ILE A 22 29.228 -25.575 -4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.068 -23.749 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.408 -22.952 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.976 -22.439 -2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.852 -25.850 -4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.188 -26.333 -2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.423 -24.762 -3.214 1.00 0.00 H new ATOM 306 N LYS A 23 32.394 -24.392 -3.702 1.00 0.00 N ATOM 307 CA LYS A 23 33.406 -25.333 -4.166 1.00 0.00 C ATOM 308 C LYS A 23 32.759 -26.571 -4.779 1.00 0.00 C ATOM 309 O LYS A 23 33.141 -27.699 -4.471 1.00 0.00 O ATOM 310 CB LYS A 23 34.320 -25.742 -3.009 1.00 0.00 C ATOM 311 CG LYS A 23 35.214 -24.619 -2.513 1.00 0.00 C ATOM 312 CD LYS A 23 36.185 -24.163 -3.588 1.00 0.00 C ATOM 313 CE LYS A 23 37.518 -23.738 -2.992 1.00 0.00 C ATOM 314 NZ LYS A 23 38.532 -24.827 -3.066 1.00 0.00 N ATOM 0 H LYS A 23 32.515 -23.440 -4.047 1.00 0.00 H new ATOM 0 HA LYS A 23 34.001 -24.838 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 23 33.707 -26.099 -2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 23 34.943 -26.577 -3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 23 34.599 -23.777 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 23 35.770 -24.955 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 23 36.346 -24.971 -4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 23 35.751 -23.331 -4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 23 37.889 -22.860 -3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 23 37.374 -23.446 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 39.426 -24.498 -2.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 38.190 -25.656 -2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 38.689 -25.088 -4.060 1.00 0.00 H new ATOM 328 N MET A 24 31.778 -26.351 -5.648 1.00 0.00 N ATOM 329 CA MET A 24 31.080 -27.450 -6.306 1.00 0.00 C ATOM 330 C MET A 24 30.868 -27.150 -7.787 1.00 0.00 C ATOM 331 O MET A 24 29.936 -27.664 -8.405 1.00 0.00 O ATOM 332 CB MET A 24 29.733 -27.706 -5.627 1.00 0.00 C ATOM 333 CG MET A 24 29.856 -28.124 -4.171 1.00 0.00 C ATOM 334 SD MET A 24 29.710 -29.907 -3.945 1.00 0.00 S ATOM 335 CE MET A 24 31.376 -30.320 -3.434 1.00 0.00 C ATOM 0 H MET A 24 31.448 -25.423 -5.913 1.00 0.00 H new ATOM 0 HA MET A 24 31.698 -28.344 -6.219 1.00 0.00 H new ATOM 0 HB2 MET A 24 29.128 -26.802 -5.687 1.00 0.00 H new ATOM 0 HB3 MET A 24 29.201 -28.483 -6.176 1.00 0.00 H new ATOM 0 HG2 MET A 24 30.818 -27.790 -3.781 1.00 0.00 H new ATOM 0 HG3 MET A 24 29.084 -27.623 -3.587 1.00 0.00 H new ATOM 0 HE1 MET A 24 31.673 -31.264 -3.890 1.00 0.00 H new ATOM 0 HE2 MET A 24 32.060 -29.533 -3.752 1.00 0.00 H new ATOM 0 HE3 MET A 24 31.411 -30.414 -2.349 1.00 0.00 H new ATOM 345 N GLN A 25 31.738 -26.317 -8.348 1.00 0.00 N ATOM 346 CA GLN A 25 31.644 -25.949 -9.755 1.00 0.00 C ATOM 347 C GLN A 25 31.833 -27.169 -10.651 1.00 0.00 C ATOM 348 O GLN A 25 31.344 -27.203 -11.780 1.00 0.00 O ATOM 349 CB GLN A 25 32.688 -24.884 -10.097 1.00 0.00 C ATOM 350 CG GLN A 25 34.109 -25.289 -9.739 1.00 0.00 C ATOM 351 CD GLN A 25 34.867 -24.186 -9.026 1.00 0.00 C ATOM 352 OE1 GLN A 25 35.179 -24.299 -7.840 1.00 0.00 O ATOM 353 NE2 GLN A 25 35.168 -23.112 -9.746 1.00 0.00 N ATOM 0 H GLN A 25 32.516 -25.884 -7.850 1.00 0.00 H new ATOM 0 HA GLN A 25 30.649 -25.542 -9.932 1.00 0.00 H new ATOM 0 HB2 GLN A 25 32.638 -24.668 -11.164 1.00 0.00 H new ATOM 0 HB3 GLN A 25 32.439 -23.961 -9.573 1.00 0.00 H new ATOM 0 HG2 GLN A 25 34.082 -26.175 -9.105 1.00 0.00 H new ATOM 0 HG3 GLN A 25 34.644 -25.564 -10.648 1.00 0.00 H new ATOM 0 HE21 GLN A 25 34.890 -23.061 -10.726 1.00 0.00 H new ATOM 0 HE22 GLN A 25 35.678 -22.338 -9.319 1.00 0.00 H new ATOM 362 N GLN A 26 32.545 -28.168 -10.139 1.00 0.00 N ATOM 363 CA GLN A 26 32.799 -29.389 -10.894 1.00 0.00 C ATOM 364 C GLN A 26 31.496 -30.121 -11.199 1.00 0.00 C ATOM 365 O GLN A 26 31.409 -30.876 -12.168 1.00 0.00 O ATOM 366 CB GLN A 26 33.743 -30.308 -10.115 1.00 0.00 C ATOM 367 CG GLN A 26 33.088 -30.980 -8.920 1.00 0.00 C ATOM 368 CD GLN A 26 34.011 -31.063 -7.719 1.00 0.00 C ATOM 369 OE1 GLN A 26 35.213 -30.819 -7.828 1.00 0.00 O ATOM 370 NE2 GLN A 26 33.452 -31.408 -6.565 1.00 0.00 N ATOM 0 H GLN A 26 32.956 -28.156 -9.205 1.00 0.00 H new ATOM 0 HA GLN A 26 33.269 -29.112 -11.838 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.127 -31.075 -10.787 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.599 -29.728 -9.771 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.189 -30.428 -8.645 1.00 0.00 H new ATOM 0 HG3 GLN A 26 32.772 -31.985 -9.201 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.451 -31.601 -6.521 1.00 0.00 H new ATOM 0 HE22 GLN A 26 34.023 -31.480 -5.723 1.00 0.00 H new ATOM 379 N TYR A 27 30.486 -29.892 -10.368 1.00 0.00 N ATOM 380 CA TYR A 27 29.188 -30.532 -10.548 1.00 0.00 C ATOM 381 C TYR A 27 28.348 -29.781 -11.576 1.00 0.00 C ATOM 382 O TYR A 27 27.304 -30.264 -12.016 1.00 0.00 O ATOM 383 CB TYR A 27 28.441 -30.602 -9.215 1.00 0.00 C ATOM 384 CG TYR A 27 28.847 -31.776 -8.353 1.00 0.00 C ATOM 385 CD1 TYR A 27 28.858 -33.068 -8.866 1.00 0.00 C ATOM 386 CD2 TYR A 27 29.220 -31.594 -7.027 1.00 0.00 C ATOM 387 CE1 TYR A 27 29.228 -34.144 -8.082 1.00 0.00 C ATOM 388 CE2 TYR A 27 29.593 -32.664 -6.237 1.00 0.00 C ATOM 389 CZ TYR A 27 29.594 -33.937 -6.768 1.00 0.00 C ATOM 390 OH TYR A 27 29.964 -35.006 -5.985 1.00 0.00 O ATOM 0 H TYR A 27 30.541 -29.268 -9.563 1.00 0.00 H new ATOM 0 HA TYR A 27 29.358 -31.544 -10.915 1.00 0.00 H new ATOM 0 HB2 TYR A 27 28.615 -29.679 -8.662 1.00 0.00 H new ATOM 0 HB3 TYR A 27 27.370 -30.659 -9.411 1.00 0.00 H new ATOM 0 HD1 TYR A 27 28.573 -33.233 -9.894 1.00 0.00 H new ATOM 0 HD2 TYR A 27 29.218 -30.599 -6.607 1.00 0.00 H new ATOM 0 HE1 TYR A 27 29.231 -35.142 -8.496 1.00 0.00 H new ATOM 0 HE2 TYR A 27 29.882 -32.505 -5.209 1.00 0.00 H new ATOM 0 HH TYR A 27 30.178 -34.691 -5.082 1.00 0.00 H new ATOM 400 N THR A 28 28.812 -28.594 -11.956 1.00 0.00 N ATOM 401 CA THR A 28 28.105 -27.774 -12.932 1.00 0.00 C ATOM 402 C THR A 28 27.780 -28.573 -14.189 1.00 0.00 C ATOM 403 O THR A 28 26.681 -28.472 -14.732 1.00 0.00 O ATOM 404 CB THR A 28 28.928 -26.533 -13.324 1.00 0.00 C ATOM 405 OG1 THR A 28 29.221 -25.752 -12.160 1.00 0.00 O ATOM 406 CG2 THR A 28 28.175 -25.682 -14.336 1.00 0.00 C ATOM 0 H THR A 28 29.674 -28.179 -11.602 1.00 0.00 H new ATOM 0 HA THR A 28 27.177 -27.451 -12.461 1.00 0.00 H new ATOM 0 HB THR A 28 29.860 -26.870 -13.778 1.00 0.00 H new ATOM 0 HG1 THR A 28 30.161 -25.876 -11.911 1.00 0.00 H new ATOM 0 HG21 THR A 28 28.776 -24.811 -14.598 1.00 0.00 H new ATOM 0 HG22 THR A 28 27.979 -26.271 -15.232 1.00 0.00 H new ATOM 0 HG23 THR A 28 27.230 -25.354 -13.904 1.00 0.00 H new ATOM 414 N GLU A 29 28.744 -29.366 -14.646 1.00 0.00 N ATOM 415 CA GLU A 29 28.559 -30.182 -15.840 1.00 0.00 C ATOM 416 C GLU A 29 27.370 -31.124 -15.677 1.00 0.00 C ATOM 417 O GLU A 29 26.692 -31.461 -16.648 1.00 0.00 O ATOM 418 CB GLU A 29 29.826 -30.988 -16.136 1.00 0.00 C ATOM 419 CG GLU A 29 31.081 -30.137 -16.228 1.00 0.00 C ATOM 420 CD GLU A 29 32.195 -30.642 -15.331 1.00 0.00 C ATOM 421 OE1 GLU A 29 32.430 -31.869 -15.309 1.00 0.00 O ATOM 422 OE2 GLU A 29 32.833 -29.810 -14.652 1.00 0.00 O ATOM 0 H GLU A 29 29.660 -29.461 -14.208 1.00 0.00 H new ATOM 0 HA GLU A 29 28.358 -29.514 -16.677 1.00 0.00 H new ATOM 0 HB2 GLU A 29 29.961 -31.736 -15.355 1.00 0.00 H new ATOM 0 HB3 GLU A 29 29.693 -31.527 -17.074 1.00 0.00 H new ATOM 0 HG2 GLU A 29 31.430 -30.121 -17.261 1.00 0.00 H new ATOM 0 HG3 GLU A 29 30.839 -29.109 -15.957 1.00 0.00 H new ATOM 429 N HIS A 30 27.122 -31.546 -14.441 1.00 0.00 N ATOM 430 CA HIS A 30 26.015 -32.449 -14.149 1.00 0.00 C ATOM 431 C HIS A 30 24.694 -31.687 -14.088 1.00 0.00 C ATOM 432 O HIS A 30 23.678 -32.144 -14.613 1.00 0.00 O ATOM 433 CB HIS A 30 26.258 -33.177 -12.826 1.00 0.00 C ATOM 434 CG HIS A 30 27.407 -34.137 -12.874 1.00 0.00 C ATOM 435 ND1 HIS A 30 28.679 -33.770 -13.260 1.00 0.00 N ATOM 436 CD2 HIS A 30 27.471 -35.456 -12.578 1.00 0.00 C ATOM 437 CE1 HIS A 30 29.475 -34.822 -13.202 1.00 0.00 C ATOM 438 NE2 HIS A 30 28.767 -35.858 -12.791 1.00 0.00 N ATOM 0 H HIS A 30 27.673 -31.277 -13.626 1.00 0.00 H new ATOM 0 HA HIS A 30 25.955 -33.182 -14.953 1.00 0.00 H new ATOM 0 HB2 HIS A 30 26.443 -32.441 -12.044 1.00 0.00 H new ATOM 0 HB3 HIS A 30 25.354 -33.718 -12.547 1.00 0.00 H new ATOM 0 HD2 HIS A 30 26.655 -36.077 -12.238 1.00 0.00 H new ATOM 0 HE1 HIS A 30 30.526 -34.833 -13.449 1.00 0.00 H new ATOM 0 HE2 HIS A 30 29.124 -36.803 -12.654 1.00 0.00 H new ATOM 446 N PHE A 31 24.716 -30.525 -13.445 1.00 0.00 N ATOM 447 CA PHE A 31 23.520 -29.701 -13.314 1.00 0.00 C ATOM 448 C PHE A 31 22.931 -29.376 -14.684 1.00 0.00 C ATOM 449 O PHE A 31 21.714 -29.382 -14.865 1.00 0.00 O ATOM 450 CB PHE A 31 23.846 -28.406 -12.567 1.00 0.00 C ATOM 451 CG PHE A 31 23.717 -28.527 -11.075 1.00 0.00 C ATOM 452 CD1 PHE A 31 22.510 -28.264 -10.447 1.00 0.00 C ATOM 453 CD2 PHE A 31 24.803 -28.902 -10.301 1.00 0.00 C ATOM 454 CE1 PHE A 31 22.388 -28.375 -9.075 1.00 0.00 C ATOM 455 CE2 PHE A 31 24.687 -29.014 -8.928 1.00 0.00 C ATOM 456 CZ PHE A 31 23.479 -28.749 -8.314 1.00 0.00 C ATOM 0 H PHE A 31 25.549 -30.132 -13.006 1.00 0.00 H new ATOM 0 HA PHE A 31 22.781 -30.265 -12.744 1.00 0.00 H new ATOM 0 HB2 PHE A 31 24.863 -28.100 -12.812 1.00 0.00 H new ATOM 0 HB3 PHE A 31 23.182 -27.616 -12.918 1.00 0.00 H new ATOM 0 HD1 PHE A 31 21.655 -27.969 -11.037 1.00 0.00 H new ATOM 0 HD2 PHE A 31 25.751 -29.109 -10.775 1.00 0.00 H new ATOM 0 HE1 PHE A 31 21.441 -28.170 -8.598 1.00 0.00 H new ATOM 0 HE2 PHE A 31 25.541 -29.309 -8.336 1.00 0.00 H new ATOM 0 HZ PHE A 31 23.387 -28.834 -7.241 1.00 0.00 H new ATOM 466 N MET A 32 23.804 -29.092 -15.645 1.00 0.00 N ATOM 467 CA MET A 32 23.371 -28.765 -16.998 1.00 0.00 C ATOM 468 C MET A 32 22.682 -29.959 -17.652 1.00 0.00 C ATOM 469 O MET A 32 21.581 -29.836 -18.186 1.00 0.00 O ATOM 470 CB MET A 32 24.566 -28.324 -17.846 1.00 0.00 C ATOM 471 CG MET A 32 25.342 -27.164 -17.245 1.00 0.00 C ATOM 472 SD MET A 32 25.485 -25.765 -18.373 1.00 0.00 S ATOM 473 CE MET A 32 25.321 -24.392 -17.234 1.00 0.00 C ATOM 0 H MET A 32 24.815 -29.082 -15.512 1.00 0.00 H new ATOM 0 HA MET A 32 22.656 -27.945 -16.936 1.00 0.00 H new ATOM 0 HB2 MET A 32 25.239 -29.171 -17.979 1.00 0.00 H new ATOM 0 HB3 MET A 32 24.213 -28.039 -18.837 1.00 0.00 H new ATOM 0 HG2 MET A 32 24.849 -26.838 -16.329 1.00 0.00 H new ATOM 0 HG3 MET A 32 26.339 -27.505 -16.967 1.00 0.00 H new ATOM 0 HE1 MET A 32 24.612 -23.668 -17.636 1.00 0.00 H new ATOM 0 HE2 MET A 32 24.960 -24.758 -16.273 1.00 0.00 H new ATOM 0 HE3 MET A 32 26.291 -23.913 -17.099 1.00 0.00 H new ATOM 483 N ALA A 33 23.339 -31.114 -17.606 1.00 0.00 N ATOM 484 CA ALA A 33 22.789 -32.329 -18.192 1.00 0.00 C ATOM 485 C ALA A 33 21.397 -32.623 -17.642 1.00 0.00 C ATOM 486 O ALA A 33 20.565 -33.223 -18.321 1.00 0.00 O ATOM 487 CB ALA A 33 23.719 -33.506 -17.937 1.00 0.00 C ATOM 0 H ALA A 33 24.253 -31.233 -17.169 1.00 0.00 H new ATOM 0 HA ALA A 33 22.701 -32.176 -19.268 1.00 0.00 H new ATOM 0 HB1 ALA A 33 23.295 -34.407 -18.380 1.00 0.00 H new ATOM 0 HB2 ALA A 33 24.692 -33.304 -18.385 1.00 0.00 H new ATOM 0 HB3 ALA A 33 23.837 -33.651 -16.863 1.00 0.00 H new ATOM 493 N ALA A 34 21.152 -32.197 -16.407 1.00 0.00 N ATOM 494 CA ALA A 34 19.861 -32.413 -15.766 1.00 0.00 C ATOM 495 C ALA A 34 18.845 -31.367 -16.211 1.00 0.00 C ATOM 496 O ALA A 34 17.639 -31.604 -16.174 1.00 0.00 O ATOM 497 CB ALA A 34 20.014 -32.394 -14.252 1.00 0.00 C ATOM 0 H ALA A 34 21.831 -31.700 -15.831 1.00 0.00 H new ATOM 0 HA ALA A 34 19.491 -33.392 -16.070 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.042 -32.557 -13.786 1.00 0.00 H new ATOM 0 HB2 ALA A 34 20.700 -33.184 -13.946 1.00 0.00 H new ATOM 0 HB3 ALA A 34 20.410 -31.428 -13.938 1.00 0.00 H new ATOM 503 N GLY A 35 19.342 -30.207 -16.630 1.00 0.00 N ATOM 504 CA GLY A 35 18.463 -29.141 -17.075 1.00 0.00 C ATOM 505 C GLY A 35 18.480 -27.948 -16.140 1.00 0.00 C ATOM 506 O GLY A 35 17.476 -27.251 -15.994 1.00 0.00 O ATOM 0 H GLY A 35 20.337 -29.987 -16.669 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.762 -28.821 -18.073 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.445 -29.523 -17.154 1.00 0.00 H new ATOM 510 N TYR A 36 19.622 -27.713 -15.503 1.00 0.00 N ATOM 511 CA TYR A 36 19.764 -26.598 -14.574 1.00 0.00 C ATOM 512 C TYR A 36 20.895 -25.670 -15.006 1.00 0.00 C ATOM 513 O TYR A 36 21.878 -25.491 -14.285 1.00 0.00 O ATOM 514 CB TYR A 36 20.027 -27.117 -13.159 1.00 0.00 C ATOM 515 CG TYR A 36 19.031 -28.159 -12.702 1.00 0.00 C ATOM 516 CD1 TYR A 36 17.664 -27.938 -12.811 1.00 0.00 C ATOM 517 CD2 TYR A 36 19.458 -29.365 -12.160 1.00 0.00 C ATOM 518 CE1 TYR A 36 16.751 -28.887 -12.394 1.00 0.00 C ATOM 519 CE2 TYR A 36 18.553 -30.320 -11.742 1.00 0.00 C ATOM 520 CZ TYR A 36 17.200 -30.076 -11.860 1.00 0.00 C ATOM 521 OH TYR A 36 16.294 -31.025 -11.444 1.00 0.00 O ATOM 0 H TYR A 36 20.463 -28.280 -15.613 1.00 0.00 H new ATOM 0 HA TYR A 36 18.832 -26.032 -14.579 1.00 0.00 H new ATOM 0 HB2 TYR A 36 21.030 -27.542 -13.117 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.007 -26.278 -12.464 1.00 0.00 H new ATOM 0 HD1 TYR A 36 17.309 -27.008 -13.229 1.00 0.00 H new ATOM 0 HD2 TYR A 36 20.516 -29.559 -12.064 1.00 0.00 H new ATOM 0 HE1 TYR A 36 15.692 -28.699 -12.486 1.00 0.00 H new ATOM 0 HE2 TYR A 36 18.902 -31.253 -11.325 1.00 0.00 H new ATOM 0 HH TYR A 36 16.079 -30.880 -10.499 1.00 0.00 H new ATOM 531 N THR A 37 20.749 -25.079 -16.188 1.00 0.00 N ATOM 532 CA THR A 37 21.756 -24.169 -16.718 1.00 0.00 C ATOM 533 C THR A 37 21.548 -22.753 -16.195 1.00 0.00 C ATOM 534 O THR A 37 22.487 -21.960 -16.130 1.00 0.00 O ATOM 535 CB THR A 37 21.736 -24.144 -18.258 1.00 0.00 C ATOM 536 OG1 THR A 37 20.581 -23.434 -18.721 1.00 0.00 O ATOM 537 CG2 THR A 37 21.729 -25.556 -18.823 1.00 0.00 C ATOM 0 H THR A 37 19.942 -25.215 -16.797 1.00 0.00 H new ATOM 0 HA THR A 37 22.724 -24.539 -16.381 1.00 0.00 H new ATOM 0 HB THR A 37 22.637 -23.637 -18.603 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.576 -23.421 -19.701 1.00 0.00 H new ATOM 0 HG21 THR A 37 21.715 -25.512 -19.912 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.623 -26.084 -18.493 1.00 0.00 H new ATOM 0 HG23 THR A 37 20.844 -26.085 -18.470 1.00 0.00 H new ATOM 545 N ALA A 38 20.311 -22.441 -15.821 1.00 0.00 N ATOM 546 CA ALA A 38 19.980 -21.121 -15.301 1.00 0.00 C ATOM 547 C ALA A 38 19.468 -21.208 -13.867 1.00 0.00 C ATOM 548 O ALA A 38 18.782 -22.163 -13.500 1.00 0.00 O ATOM 549 CB ALA A 38 18.948 -20.445 -16.192 1.00 0.00 C ATOM 0 H ALA A 38 19.522 -23.085 -15.869 1.00 0.00 H new ATOM 0 HA ALA A 38 20.890 -20.521 -15.298 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.711 -19.460 -15.791 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.350 -20.339 -17.199 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.043 -21.051 -16.225 1.00 0.00 H new ATOM 555 N ILE A 39 19.805 -20.207 -13.061 1.00 0.00 N ATOM 556 CA ILE A 39 19.378 -20.172 -11.668 1.00 0.00 C ATOM 557 C ILE A 39 17.861 -20.281 -11.554 1.00 0.00 C ATOM 558 O ILE A 39 17.336 -20.733 -10.537 1.00 0.00 O ATOM 559 CB ILE A 39 19.843 -18.881 -10.969 1.00 0.00 C ATOM 560 CG1 ILE A 39 21.358 -18.716 -11.108 1.00 0.00 C ATOM 561 CG2 ILE A 39 19.438 -18.897 -9.503 1.00 0.00 C ATOM 562 CD1 ILE A 39 22.147 -19.850 -10.493 1.00 0.00 C ATOM 0 H ILE A 39 20.372 -19.410 -13.349 1.00 0.00 H new ATOM 0 HA ILE A 39 19.839 -21.028 -11.176 1.00 0.00 H new ATOM 0 HB ILE A 39 19.359 -18.031 -11.450 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.612 -18.639 -12.165 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.658 -17.779 -10.639 1.00 0.00 H new ATOM 0 HG21 ILE A 39 19.774 -17.978 -9.023 1.00 0.00 H new ATOM 0 HG22 ILE A 39 18.353 -18.971 -9.426 1.00 0.00 H new ATOM 0 HG23 ILE A 39 19.896 -19.753 -9.008 1.00 0.00 H new ATOM 0 HD11 ILE A 39 23.213 -19.667 -10.629 1.00 0.00 H new ATOM 0 HD12 ILE A 39 21.922 -19.914 -9.428 1.00 0.00 H new ATOM 0 HD13 ILE A 39 21.875 -20.787 -10.978 1.00 0.00 H new ATOM 574 N GLU A 40 17.163 -19.865 -12.607 1.00 0.00 N ATOM 575 CA GLU A 40 15.706 -19.917 -12.625 1.00 0.00 C ATOM 576 C GLU A 40 15.211 -21.352 -12.468 1.00 0.00 C ATOM 577 O GLU A 40 14.146 -21.595 -11.900 1.00 0.00 O ATOM 578 CB GLU A 40 15.169 -19.320 -13.927 1.00 0.00 C ATOM 579 CG GLU A 40 15.807 -17.992 -14.297 1.00 0.00 C ATOM 580 CD GLU A 40 14.910 -17.137 -15.172 1.00 0.00 C ATOM 581 OE1 GLU A 40 14.865 -17.386 -16.395 1.00 0.00 O ATOM 582 OE2 GLU A 40 14.254 -16.221 -14.634 1.00 0.00 O ATOM 0 H GLU A 40 17.583 -19.489 -13.457 1.00 0.00 H new ATOM 0 HA GLU A 40 15.336 -19.330 -11.785 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.333 -20.030 -14.737 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.091 -19.183 -13.837 1.00 0.00 H new ATOM 0 HG2 GLU A 40 16.050 -17.444 -13.387 1.00 0.00 H new ATOM 0 HG3 GLU A 40 16.747 -18.177 -14.818 1.00 0.00 H new ATOM 589 N LYS A 41 15.992 -22.300 -12.975 1.00 0.00 N ATOM 590 CA LYS A 41 15.635 -23.711 -12.892 1.00 0.00 C ATOM 591 C LYS A 41 16.324 -24.377 -11.705 1.00 0.00 C ATOM 592 O LYS A 41 15.766 -25.275 -11.073 1.00 0.00 O ATOM 593 CB LYS A 41 16.017 -24.432 -14.186 1.00 0.00 C ATOM 594 CG LYS A 41 15.387 -23.826 -15.428 1.00 0.00 C ATOM 595 CD LYS A 41 16.442 -23.379 -16.427 1.00 0.00 C ATOM 596 CE LYS A 41 16.629 -24.403 -17.536 1.00 0.00 C ATOM 597 NZ LYS A 41 16.196 -23.873 -18.859 1.00 0.00 N ATOM 0 H LYS A 41 16.877 -22.116 -13.448 1.00 0.00 H new ATOM 0 HA LYS A 41 14.556 -23.779 -12.750 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.101 -24.416 -14.294 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.719 -25.478 -14.111 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.728 -24.557 -15.896 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.769 -22.974 -15.145 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.152 -22.421 -16.860 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.390 -23.222 -15.911 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.678 -24.695 -17.587 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.059 -25.302 -17.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.339 -24.601 -19.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.189 -23.618 -18.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.757 -23.030 -19.096 1.00 0.00 H new ATOM 611 N VAL A 42 17.540 -23.931 -11.405 1.00 0.00 N ATOM 612 CA VAL A 42 18.304 -24.482 -10.292 1.00 0.00 C ATOM 613 C VAL A 42 17.527 -24.373 -8.985 1.00 0.00 C ATOM 614 O VAL A 42 17.750 -25.144 -8.051 1.00 0.00 O ATOM 615 CB VAL A 42 19.658 -23.767 -10.132 1.00 0.00 C ATOM 616 CG1 VAL A 42 20.424 -24.332 -8.945 1.00 0.00 C ATOM 617 CG2 VAL A 42 20.476 -23.885 -11.409 1.00 0.00 C ATOM 0 H VAL A 42 18.017 -23.189 -11.918 1.00 0.00 H new ATOM 0 HA VAL A 42 18.481 -25.533 -10.520 1.00 0.00 H new ATOM 0 HB VAL A 42 19.471 -22.710 -9.943 1.00 0.00 H new ATOM 0 HG11 VAL A 42 21.378 -23.814 -8.848 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.841 -24.191 -8.035 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.603 -25.396 -9.100 1.00 0.00 H new ATOM 0 HG21 VAL A 42 21.430 -23.374 -11.279 1.00 0.00 H new ATOM 0 HG22 VAL A 42 20.655 -24.937 -11.630 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.930 -23.428 -12.234 1.00 0.00 H new ATOM 627 N VAL A 43 16.612 -23.410 -8.925 1.00 0.00 N ATOM 628 CA VAL A 43 15.799 -23.201 -7.733 1.00 0.00 C ATOM 629 C VAL A 43 14.566 -24.097 -7.743 1.00 0.00 C ATOM 630 O VAL A 43 14.009 -24.415 -6.693 1.00 0.00 O ATOM 631 CB VAL A 43 15.352 -21.732 -7.609 1.00 0.00 C ATOM 632 CG1 VAL A 43 16.560 -20.813 -7.504 1.00 0.00 C ATOM 633 CG2 VAL A 43 14.476 -21.341 -8.790 1.00 0.00 C ATOM 0 H VAL A 43 16.416 -22.762 -9.688 1.00 0.00 H new ATOM 0 HA VAL A 43 16.423 -23.457 -6.876 1.00 0.00 H new ATOM 0 HB VAL A 43 14.764 -21.625 -6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.225 -19.780 -7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.145 -21.080 -6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.177 -20.920 -8.396 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.169 -20.300 -8.686 1.00 0.00 H new ATOM 0 HG22 VAL A 43 15.038 -21.463 -9.716 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.593 -21.979 -8.815 1.00 0.00 H new ATOM 643 N GLN A 44 14.146 -24.501 -8.938 1.00 0.00 N ATOM 644 CA GLN A 44 12.977 -25.361 -9.085 1.00 0.00 C ATOM 645 C GLN A 44 13.267 -26.766 -8.565 1.00 0.00 C ATOM 646 O GLN A 44 12.406 -27.403 -7.958 1.00 0.00 O ATOM 647 CB GLN A 44 12.547 -25.426 -10.551 1.00 0.00 C ATOM 648 CG GLN A 44 12.133 -24.080 -11.124 1.00 0.00 C ATOM 649 CD GLN A 44 11.130 -24.209 -12.253 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.143 -24.936 -12.141 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.377 -23.502 -13.349 1.00 0.00 N ATOM 0 H GLN A 44 14.597 -24.247 -9.817 1.00 0.00 H new ATOM 0 HA GLN A 44 12.166 -24.934 -8.495 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.369 -25.827 -11.145 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.715 -26.124 -10.646 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.704 -23.468 -10.330 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.017 -23.557 -11.487 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.208 -22.912 -13.399 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.736 -23.549 -14.141 1.00 0.00 H new ATOM 660 N MET A 45 14.483 -27.242 -8.808 1.00 0.00 N ATOM 661 CA MET A 45 14.886 -28.571 -8.363 1.00 0.00 C ATOM 662 C MET A 45 14.735 -28.708 -6.852 1.00 0.00 C ATOM 663 O MET A 45 14.912 -27.741 -6.109 1.00 0.00 O ATOM 664 CB MET A 45 16.334 -28.852 -8.770 1.00 0.00 C ATOM 665 CG MET A 45 17.351 -28.014 -8.013 1.00 0.00 C ATOM 666 SD MET A 45 18.518 -29.019 -7.075 1.00 0.00 S ATOM 667 CE MET A 45 19.359 -29.885 -8.398 1.00 0.00 C ATOM 0 H MET A 45 15.207 -26.728 -9.310 1.00 0.00 H new ATOM 0 HA MET A 45 14.233 -29.300 -8.843 1.00 0.00 H new ATOM 0 HB2 MET A 45 16.551 -29.908 -8.606 1.00 0.00 H new ATOM 0 HB3 MET A 45 16.445 -28.666 -9.838 1.00 0.00 H new ATOM 0 HG2 MET A 45 17.900 -27.390 -8.719 1.00 0.00 H new ATOM 0 HG3 MET A 45 16.828 -27.341 -7.333 1.00 0.00 H new ATOM 0 HE1 MET A 45 20.283 -30.321 -8.018 1.00 0.00 H new ATOM 0 HE2 MET A 45 18.715 -30.676 -8.782 1.00 0.00 H new ATOM 0 HE3 MET A 45 19.592 -29.185 -9.201 1.00 0.00 H new ATOM 677 N THR A 46 14.406 -29.915 -6.401 1.00 0.00 N ATOM 678 CA THR A 46 14.229 -30.177 -4.978 1.00 0.00 C ATOM 679 C THR A 46 15.462 -30.850 -4.386 1.00 0.00 C ATOM 680 O THR A 46 16.385 -31.222 -5.109 1.00 0.00 O ATOM 681 CB THR A 46 12.999 -31.066 -4.719 1.00 0.00 C ATOM 682 OG1 THR A 46 12.742 -31.150 -3.313 1.00 0.00 O ATOM 683 CG2 THR A 46 13.211 -32.462 -5.284 1.00 0.00 C ATOM 0 H THR A 46 14.257 -30.726 -7.001 1.00 0.00 H new ATOM 0 HA THR A 46 14.078 -29.211 -4.495 1.00 0.00 H new ATOM 0 HB THR A 46 12.142 -30.615 -5.219 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.957 -31.716 -3.157 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.329 -33.071 -5.089 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.377 -32.398 -6.359 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.080 -32.919 -4.809 1.00 0.00 H new ATOM 691 N ASN A 47 15.470 -31.005 -3.066 1.00 0.00 N ATOM 692 CA ASN A 47 16.590 -31.635 -2.377 1.00 0.00 C ATOM 693 C ASN A 47 16.931 -32.981 -3.009 1.00 0.00 C ATOM 694 O ASN A 47 18.103 -33.321 -3.177 1.00 0.00 O ATOM 695 CB ASN A 47 16.263 -31.823 -0.894 1.00 0.00 C ATOM 696 CG ASN A 47 15.721 -30.559 -0.256 1.00 0.00 C ATOM 697 OD1 ASN A 47 15.841 -29.468 -0.814 1.00 0.00 O ATOM 698 ND2 ASN A 47 15.121 -30.700 0.920 1.00 0.00 N ATOM 0 H ASN A 47 14.713 -30.703 -2.452 1.00 0.00 H new ATOM 0 HA ASN A 47 17.456 -30.980 -2.471 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.532 -32.624 -0.785 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.162 -32.138 -0.364 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.737 -29.885 1.398 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.044 -31.624 1.346 1.00 0.00 H new ATOM 705 N ASP A 48 15.900 -33.742 -3.359 1.00 0.00 N ATOM 706 CA ASP A 48 16.089 -35.050 -3.974 1.00 0.00 C ATOM 707 C ASP A 48 16.842 -34.925 -5.295 1.00 0.00 C ATOM 708 O ASP A 48 17.738 -35.717 -5.587 1.00 0.00 O ATOM 709 CB ASP A 48 14.738 -35.729 -4.205 1.00 0.00 C ATOM 710 CG ASP A 48 13.790 -35.544 -3.036 1.00 0.00 C ATOM 711 OD1 ASP A 48 14.235 -35.706 -1.880 1.00 0.00 O ATOM 712 OD2 ASP A 48 12.605 -35.238 -3.278 1.00 0.00 O ATOM 0 H ASP A 48 14.924 -33.475 -3.227 1.00 0.00 H new ATOM 0 HA ASP A 48 16.682 -35.662 -3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 48 14.281 -35.324 -5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.894 -36.794 -4.377 1.00 0.00 H new ATOM 717 N ASP A 49 16.471 -33.928 -6.089 1.00 0.00 N ATOM 718 CA ASP A 49 17.111 -33.699 -7.380 1.00 0.00 C ATOM 719 C ASP A 49 18.624 -33.583 -7.223 1.00 0.00 C ATOM 720 O ASP A 49 19.384 -34.031 -8.082 1.00 0.00 O ATOM 721 CB ASP A 49 16.555 -32.432 -8.032 1.00 0.00 C ATOM 722 CG ASP A 49 15.079 -32.549 -8.358 1.00 0.00 C ATOM 723 OD1 ASP A 49 14.478 -33.593 -8.027 1.00 0.00 O ATOM 724 OD2 ASP A 49 14.524 -31.597 -8.945 1.00 0.00 O ATOM 0 H ASP A 49 15.730 -33.265 -5.862 1.00 0.00 H new ATOM 0 HA ASP A 49 16.894 -34.553 -8.022 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.711 -31.585 -7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 49 17.111 -32.223 -8.946 1.00 0.00 H new ATOM 729 N VAL A 50 19.055 -32.977 -6.121 1.00 0.00 N ATOM 730 CA VAL A 50 20.477 -32.802 -5.851 1.00 0.00 C ATOM 731 C VAL A 50 21.198 -34.145 -5.808 1.00 0.00 C ATOM 732 O VAL A 50 22.413 -34.216 -5.993 1.00 0.00 O ATOM 733 CB VAL A 50 20.709 -32.064 -4.519 1.00 0.00 C ATOM 734 CG1 VAL A 50 22.197 -31.914 -4.244 1.00 0.00 C ATOM 735 CG2 VAL A 50 20.022 -30.707 -4.536 1.00 0.00 C ATOM 0 H VAL A 50 18.439 -32.599 -5.401 1.00 0.00 H new ATOM 0 HA VAL A 50 20.882 -32.202 -6.666 1.00 0.00 H new ATOM 0 HB VAL A 50 20.273 -32.656 -3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 50 22.341 -31.390 -3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.658 -32.900 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.660 -31.344 -5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 50 20.196 -30.199 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.426 -30.105 -5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.951 -30.843 -4.683 1.00 0.00 H new ATOM 745 N LYS A 51 20.441 -35.209 -5.563 1.00 0.00 N ATOM 746 CA LYS A 51 21.005 -36.551 -5.497 1.00 0.00 C ATOM 747 C LYS A 51 20.937 -37.238 -6.857 1.00 0.00 C ATOM 748 O LYS A 51 21.685 -38.178 -7.127 1.00 0.00 O ATOM 749 CB LYS A 51 20.262 -37.388 -4.453 1.00 0.00 C ATOM 750 CG LYS A 51 20.127 -36.700 -3.106 1.00 0.00 C ATOM 751 CD LYS A 51 19.432 -37.592 -2.091 1.00 0.00 C ATOM 752 CE LYS A 51 20.226 -38.863 -1.829 1.00 0.00 C ATOM 753 NZ LYS A 51 19.462 -40.083 -2.211 1.00 0.00 N ATOM 0 H LYS A 51 19.434 -35.167 -5.407 1.00 0.00 H new ATOM 0 HA LYS A 51 22.052 -36.464 -5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 51 19.268 -37.626 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 51 20.787 -38.334 -4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.115 -36.427 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.564 -35.774 -3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.298 -37.046 -1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 51 18.437 -37.851 -2.454 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.160 -38.829 -2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 51 20.489 -38.915 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 20.037 -40.928 -2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.582 -40.129 -1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.232 -40.046 -3.225 1.00 0.00 H new ATOM 767 N ARG A 52 20.036 -36.762 -7.710 1.00 0.00 N ATOM 768 CA ARG A 52 19.870 -37.331 -9.042 1.00 0.00 C ATOM 769 C ARG A 52 20.874 -36.726 -10.020 1.00 0.00 C ATOM 770 O ARG A 52 21.363 -37.406 -10.923 1.00 0.00 O ATOM 771 CB ARG A 52 18.445 -37.096 -9.547 1.00 0.00 C ATOM 772 CG ARG A 52 18.220 -37.564 -10.976 1.00 0.00 C ATOM 773 CD ARG A 52 16.748 -37.511 -11.354 1.00 0.00 C ATOM 774 NE ARG A 52 16.431 -38.422 -12.450 1.00 0.00 N ATOM 775 CZ ARG A 52 16.405 -39.744 -12.321 1.00 0.00 C ATOM 776 NH1 ARG A 52 16.675 -40.306 -11.151 1.00 0.00 N ATOM 777 NH2 ARG A 52 16.108 -40.508 -13.365 1.00 0.00 N ATOM 0 H ARG A 52 19.410 -35.984 -7.503 1.00 0.00 H new ATOM 0 HA ARG A 52 20.052 -38.404 -8.977 1.00 0.00 H new ATOM 0 HB2 ARG A 52 17.746 -37.613 -8.890 1.00 0.00 H new ATOM 0 HB3 ARG A 52 18.216 -36.032 -9.482 1.00 0.00 H new ATOM 0 HG2 ARG A 52 18.795 -36.939 -11.659 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.589 -38.583 -11.089 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.141 -37.765 -10.485 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.484 -36.493 -11.641 1.00 0.00 H new ATOM 0 HE ARG A 52 16.218 -38.022 -13.364 1.00 0.00 H new ATOM 0 HH11 ARG A 52 16.904 -39.723 -10.346 1.00 0.00 H new ATOM 0 HH12 ARG A 52 16.654 -41.321 -11.056 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.900 -40.080 -14.267 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.088 -41.523 -13.265 1.00 0.00 H new ATOM 791 N ILE A 53 21.175 -35.445 -9.834 1.00 0.00 N ATOM 792 CA ILE A 53 22.120 -34.750 -10.699 1.00 0.00 C ATOM 793 C ILE A 53 23.452 -35.490 -10.765 1.00 0.00 C ATOM 794 O ILE A 53 24.121 -35.493 -11.797 1.00 0.00 O ATOM 795 CB ILE A 53 22.369 -33.309 -10.216 1.00 0.00 C ATOM 796 CG1 ILE A 53 22.719 -33.300 -8.727 1.00 0.00 C ATOM 797 CG2 ILE A 53 21.148 -32.442 -10.485 1.00 0.00 C ATOM 798 CD1 ILE A 53 23.071 -31.927 -8.197 1.00 0.00 C ATOM 0 H ILE A 53 20.778 -34.868 -9.092 1.00 0.00 H new ATOM 0 HA ILE A 53 21.675 -34.720 -11.694 1.00 0.00 H new ATOM 0 HB ILE A 53 23.212 -32.896 -10.770 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.875 -33.693 -8.161 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.559 -33.973 -8.555 1.00 0.00 H new ATOM 0 HG21 ILE A 53 21.339 -31.427 -10.138 1.00 0.00 H new ATOM 0 HG22 ILE A 53 20.941 -32.427 -11.555 1.00 0.00 H new ATOM 0 HG23 ILE A 53 20.288 -32.850 -9.955 1.00 0.00 H new ATOM 0 HD11 ILE A 53 23.308 -31.997 -7.135 1.00 0.00 H new ATOM 0 HD12 ILE A 53 23.935 -31.539 -8.737 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.224 -31.255 -8.336 1.00 0.00 H new ATOM 810 N GLY A 54 23.829 -36.118 -9.656 1.00 0.00 N ATOM 811 CA GLY A 54 25.079 -36.854 -9.609 1.00 0.00 C ATOM 812 C GLY A 54 25.664 -36.916 -8.212 1.00 0.00 C ATOM 813 O GLY A 54 26.226 -37.935 -7.811 1.00 0.00 O ATOM 0 H GLY A 54 23.291 -36.130 -8.789 1.00 0.00 H new ATOM 0 HA2 GLY A 54 24.914 -37.867 -9.976 1.00 0.00 H new ATOM 0 HA3 GLY A 54 25.798 -36.385 -10.280 1.00 0.00 H new ATOM 817 N VAL A 55 25.532 -35.823 -7.468 1.00 0.00 N ATOM 818 CA VAL A 55 26.052 -35.757 -6.107 1.00 0.00 C ATOM 819 C VAL A 55 25.486 -36.881 -5.247 1.00 0.00 C ATOM 820 O VAL A 55 24.275 -36.971 -5.042 1.00 0.00 O ATOM 821 CB VAL A 55 25.724 -34.405 -5.446 1.00 0.00 C ATOM 822 CG1 VAL A 55 26.429 -34.282 -4.104 1.00 0.00 C ATOM 823 CG2 VAL A 55 26.106 -33.256 -6.366 1.00 0.00 C ATOM 0 H VAL A 55 25.069 -34.971 -7.784 1.00 0.00 H new ATOM 0 HA VAL A 55 27.134 -35.866 -6.176 1.00 0.00 H new ATOM 0 HB VAL A 55 24.649 -34.357 -5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 55 26.186 -33.321 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 55 26.101 -35.086 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 55 27.507 -34.351 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 55 25.867 -32.308 -5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 55 27.175 -33.297 -6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 55 25.550 -33.337 -7.300 1.00 0.00 H new ATOM 833 N ARG A 56 26.370 -37.738 -4.746 1.00 0.00 N ATOM 834 CA ARG A 56 25.959 -38.858 -3.908 1.00 0.00 C ATOM 835 C ARG A 56 26.602 -38.769 -2.527 1.00 0.00 C ATOM 836 O ARG A 56 26.233 -39.503 -1.610 1.00 0.00 O ATOM 837 CB ARG A 56 26.334 -40.184 -4.572 1.00 0.00 C ATOM 838 CG ARG A 56 27.755 -40.214 -5.112 1.00 0.00 C ATOM 839 CD ARG A 56 27.772 -40.305 -6.630 1.00 0.00 C ATOM 840 NE ARG A 56 28.108 -41.649 -7.094 1.00 0.00 N ATOM 841 CZ ARG A 56 28.090 -42.011 -8.372 1.00 0.00 C ATOM 842 NH1 ARG A 56 27.755 -41.134 -9.308 1.00 0.00 N ATOM 843 NH2 ARG A 56 28.409 -43.253 -8.715 1.00 0.00 N ATOM 0 H ARG A 56 27.376 -37.678 -4.906 1.00 0.00 H new ATOM 0 HA ARG A 56 24.876 -38.812 -3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 56 26.212 -40.990 -3.849 1.00 0.00 H new ATOM 0 HB3 ARG A 56 25.640 -40.381 -5.389 1.00 0.00 H new ATOM 0 HG2 ARG A 56 28.285 -39.316 -4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 56 28.288 -41.066 -4.689 1.00 0.00 H new ATOM 0 HD2 ARG A 56 26.795 -40.020 -7.021 1.00 0.00 H new ATOM 0 HD3 ARG A 56 28.495 -39.593 -7.028 1.00 0.00 H new ATOM 0 HE ARG A 56 28.371 -42.347 -6.399 1.00 0.00 H new ATOM 0 HH11 ARG A 56 27.510 -40.179 -9.048 1.00 0.00 H new ATOM 0 HH12 ARG A 56 27.742 -41.415 -10.289 1.00 0.00 H new ATOM 0 HH21 ARG A 56 28.668 -43.930 -7.997 1.00 0.00 H new ATOM 0 HH22 ARG A 56 28.395 -43.531 -9.696 1.00 0.00 H new ATOM 857 N LEU A 57 27.565 -37.865 -2.386 1.00 0.00 N ATOM 858 CA LEU A 57 28.260 -37.679 -1.117 1.00 0.00 C ATOM 859 C LEU A 57 27.377 -36.943 -0.115 1.00 0.00 C ATOM 860 O LEU A 57 26.444 -36.228 -0.480 1.00 0.00 O ATOM 861 CB LEU A 57 29.561 -36.904 -1.334 1.00 0.00 C ATOM 862 CG LEU A 57 30.763 -37.727 -1.797 1.00 0.00 C ATOM 863 CD1 LEU A 57 31.930 -36.816 -2.149 1.00 0.00 C ATOM 864 CD2 LEU A 57 31.170 -38.727 -0.725 1.00 0.00 C ATOM 0 H LEU A 57 27.882 -37.249 -3.135 1.00 0.00 H new ATOM 0 HA LEU A 57 28.494 -38.663 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 57 29.376 -36.122 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 57 29.824 -36.407 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 57 30.477 -38.280 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 57 32.777 -37.419 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 57 31.635 -36.140 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 57 32.216 -36.235 -1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 57 32.027 -39.304 -1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 57 31.437 -38.194 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 57 30.338 -39.401 -0.521 1.00 0.00 H new ATOM 876 N PRO A 58 27.678 -37.119 1.180 1.00 0.00 N ATOM 877 CA PRO A 58 26.925 -36.477 2.262 1.00 0.00 C ATOM 878 C PRO A 58 27.153 -34.970 2.313 1.00 0.00 C ATOM 879 O PRO A 58 26.204 -34.191 2.384 1.00 0.00 O ATOM 880 CB PRO A 58 27.478 -37.145 3.524 1.00 0.00 C ATOM 881 CG PRO A 58 28.847 -37.593 3.146 1.00 0.00 C ATOM 882 CD PRO A 58 28.776 -37.957 1.689 1.00 0.00 C ATOM 0 HA PRO A 58 25.849 -36.597 2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 58 27.507 -36.447 4.361 1.00 0.00 H new ATOM 0 HB3 PRO A 58 26.857 -37.986 3.831 1.00 0.00 H new ATOM 0 HG2 PRO A 58 29.577 -36.802 3.315 1.00 0.00 H new ATOM 0 HG3 PRO A 58 29.158 -38.448 3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 58 29.714 -37.745 1.176 1.00 0.00 H new ATOM 0 HD3 PRO A 58 28.569 -39.018 1.550 1.00 0.00 H new ATOM 890 N GLY A 59 28.419 -34.567 2.275 1.00 0.00 N ATOM 891 CA GLY A 59 28.749 -33.154 2.317 1.00 0.00 C ATOM 892 C GLY A 59 28.390 -32.436 1.031 1.00 0.00 C ATOM 893 O GLY A 59 27.731 -31.396 1.055 1.00 0.00 O ATOM 0 H GLY A 59 29.222 -35.193 2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 59 28.224 -32.686 3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 59 29.816 -33.039 2.508 1.00 0.00 H new ATOM 897 N HIS A 60 28.825 -32.991 -0.096 1.00 0.00 N ATOM 898 CA HIS A 60 28.547 -32.396 -1.398 1.00 0.00 C ATOM 899 C HIS A 60 27.055 -32.117 -1.560 1.00 0.00 C ATOM 900 O HIS A 60 26.662 -31.184 -2.259 1.00 0.00 O ATOM 901 CB HIS A 60 29.030 -33.318 -2.518 1.00 0.00 C ATOM 902 CG HIS A 60 30.521 -33.429 -2.600 1.00 0.00 C ATOM 903 ND1 HIS A 60 31.176 -33.994 -3.674 1.00 0.00 N ATOM 904 CD2 HIS A 60 31.487 -33.043 -1.734 1.00 0.00 C ATOM 905 CE1 HIS A 60 32.479 -33.952 -3.465 1.00 0.00 C ATOM 906 NE2 HIS A 60 32.695 -33.379 -2.294 1.00 0.00 N ATOM 0 H HIS A 60 29.371 -33.852 -0.134 1.00 0.00 H new ATOM 0 HA HIS A 60 29.085 -31.450 -1.460 1.00 0.00 H new ATOM 0 HB2 HIS A 60 28.608 -34.311 -2.367 1.00 0.00 H new ATOM 0 HB3 HIS A 60 28.648 -32.950 -3.470 1.00 0.00 H new ATOM 0 HD2 HIS A 60 31.336 -32.560 -0.780 1.00 0.00 H new ATOM 0 HE1 HIS A 60 33.239 -34.323 -4.137 1.00 0.00 H new ATOM 0 HE2 HIS A 60 33.610 -33.213 -1.874 1.00 0.00 H new ATOM 914 N GLN A 61 26.232 -32.934 -0.911 1.00 0.00 N ATOM 915 CA GLN A 61 24.784 -32.775 -0.985 1.00 0.00 C ATOM 916 C GLN A 61 24.326 -31.567 -0.175 1.00 0.00 C ATOM 917 O GLN A 61 23.727 -30.636 -0.714 1.00 0.00 O ATOM 918 CB GLN A 61 24.085 -34.038 -0.478 1.00 0.00 C ATOM 919 CG GLN A 61 23.840 -35.075 -1.563 1.00 0.00 C ATOM 920 CD GLN A 61 22.975 -36.225 -1.086 1.00 0.00 C ATOM 921 OE1 GLN A 61 22.118 -36.054 -0.218 1.00 0.00 O ATOM 922 NE2 GLN A 61 23.196 -37.406 -1.651 1.00 0.00 N ATOM 0 H GLN A 61 26.542 -33.712 -0.329 1.00 0.00 H new ATOM 0 HA GLN A 61 24.515 -32.612 -2.029 1.00 0.00 H new ATOM 0 HB2 GLN A 61 24.689 -34.486 0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 61 23.131 -33.760 -0.030 1.00 0.00 H new ATOM 0 HG2 GLN A 61 23.362 -34.596 -2.417 1.00 0.00 H new ATOM 0 HG3 GLN A 61 24.797 -35.465 -1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 61 23.917 -37.502 -2.367 1.00 0.00 H new ATOM 0 HE22 GLN A 61 22.645 -38.217 -1.370 1.00 0.00 H new ATOM 931 N LYS A 62 24.612 -31.587 1.122 1.00 0.00 N ATOM 932 CA LYS A 62 24.231 -30.493 2.007 1.00 0.00 C ATOM 933 C LYS A 62 24.820 -29.172 1.524 1.00 0.00 C ATOM 934 O LYS A 62 24.182 -28.124 1.624 1.00 0.00 O ATOM 935 CB LYS A 62 24.699 -30.779 3.436 1.00 0.00 C ATOM 936 CG LYS A 62 24.035 -31.994 4.062 1.00 0.00 C ATOM 937 CD LYS A 62 24.023 -31.903 5.579 1.00 0.00 C ATOM 938 CE LYS A 62 24.110 -33.279 6.220 1.00 0.00 C ATOM 939 NZ LYS A 62 23.669 -33.258 7.642 1.00 0.00 N ATOM 0 H LYS A 62 25.107 -32.350 1.584 1.00 0.00 H new ATOM 0 HA LYS A 62 23.144 -30.412 1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 62 25.779 -30.927 3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 62 24.499 -29.906 4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.013 -32.081 3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 62 24.563 -32.897 3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 62 24.860 -31.291 5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 62 23.111 -31.404 5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 62 23.493 -33.981 5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 62 25.136 -33.642 6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 23.743 -34.215 8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 24.274 -32.608 8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 22.681 -32.937 7.694 1.00 0.00 H new ATOM 953 N ARG A 63 26.039 -29.229 0.998 1.00 0.00 N ATOM 954 CA ARG A 63 26.713 -28.037 0.498 1.00 0.00 C ATOM 955 C ARG A 63 25.855 -27.324 -0.543 1.00 0.00 C ATOM 956 O ARG A 63 25.764 -26.096 -0.551 1.00 0.00 O ATOM 957 CB ARG A 63 28.068 -28.407 -0.108 1.00 0.00 C ATOM 958 CG ARG A 63 29.114 -27.312 0.024 1.00 0.00 C ATOM 959 CD ARG A 63 30.345 -27.805 0.769 1.00 0.00 C ATOM 960 NE ARG A 63 30.325 -27.414 2.177 1.00 0.00 N ATOM 961 CZ ARG A 63 31.406 -27.393 2.948 1.00 0.00 C ATOM 962 NH1 ARG A 63 32.586 -27.737 2.451 1.00 0.00 N ATOM 963 NH2 ARG A 63 31.308 -27.026 4.220 1.00 0.00 N ATOM 0 H ARG A 63 26.580 -30.089 0.907 1.00 0.00 H new ATOM 0 HA ARG A 63 26.872 -27.361 1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 63 28.438 -29.311 0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 63 27.932 -28.643 -1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 63 29.403 -26.962 -0.967 1.00 0.00 H new ATOM 0 HG3 ARG A 63 28.686 -26.459 0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 63 30.403 -28.891 0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 63 31.241 -27.405 0.294 1.00 0.00 H new ATOM 0 HE ARG A 63 29.433 -27.143 2.590 1.00 0.00 H new ATOM 0 HH11 ARG A 63 32.665 -28.019 1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 63 33.414 -27.720 3.046 1.00 0.00 H new ATOM 0 HH21 ARG A 63 30.402 -26.760 4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 63 32.139 -27.010 4.812 1.00 0.00 H new ATOM 977 N ILE A 64 25.230 -28.102 -1.420 1.00 0.00 N ATOM 978 CA ILE A 64 24.380 -27.545 -2.465 1.00 0.00 C ATOM 979 C ILE A 64 22.972 -27.280 -1.945 1.00 0.00 C ATOM 980 O ILE A 64 22.430 -26.189 -2.119 1.00 0.00 O ATOM 981 CB ILE A 64 24.297 -28.484 -3.683 1.00 0.00 C ATOM 982 CG1 ILE A 64 25.695 -28.750 -4.245 1.00 0.00 C ATOM 983 CG2 ILE A 64 23.396 -27.885 -4.753 1.00 0.00 C ATOM 984 CD1 ILE A 64 25.699 -29.674 -5.443 1.00 0.00 C ATOM 0 H ILE A 64 25.296 -29.120 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 64 24.834 -26.603 -2.773 1.00 0.00 H new ATOM 0 HB ILE A 64 23.867 -29.433 -3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 64 26.151 -27.801 -4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 64 26.317 -29.182 -3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 64 23.347 -28.560 -5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 64 22.395 -27.741 -4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 64 23.800 -26.924 -5.072 1.00 0.00 H new ATOM 0 HD11 ILE A 64 26.723 -29.818 -5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 64 25.273 -30.637 -5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 64 25.104 -29.234 -6.244 1.00 0.00 H new ATOM 996 N ALA A 65 22.384 -28.285 -1.304 1.00 0.00 N ATOM 997 CA ALA A 65 21.040 -28.160 -0.755 1.00 0.00 C ATOM 998 C ALA A 65 20.921 -26.920 0.125 1.00 0.00 C ATOM 999 O ALA A 65 19.938 -26.182 0.045 1.00 0.00 O ATOM 1000 CB ALA A 65 20.675 -29.407 0.036 1.00 0.00 C ATOM 0 H ALA A 65 22.818 -29.195 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 65 20.343 -28.053 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.668 -29.300 0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.712 -30.277 -0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.383 -29.539 0.855 1.00 0.00 H new ATOM 1006 N TYR A 66 21.925 -26.697 0.965 1.00 0.00 N ATOM 1007 CA TYR A 66 21.931 -25.548 1.862 1.00 0.00 C ATOM 1008 C TYR A 66 22.060 -24.245 1.079 1.00 0.00 C ATOM 1009 O TYR A 66 21.545 -23.206 1.491 1.00 0.00 O ATOM 1010 CB TYR A 66 23.076 -25.666 2.869 1.00 0.00 C ATOM 1011 CG TYR A 66 22.873 -24.838 4.118 1.00 0.00 C ATOM 1012 CD1 TYR A 66 21.685 -24.910 4.836 1.00 0.00 C ATOM 1013 CD2 TYR A 66 23.867 -23.984 4.579 1.00 0.00 C ATOM 1014 CE1 TYR A 66 21.494 -24.155 5.978 1.00 0.00 C ATOM 1015 CE2 TYR A 66 23.685 -23.227 5.720 1.00 0.00 C ATOM 1016 CZ TYR A 66 22.497 -23.315 6.415 1.00 0.00 C ATOM 1017 OH TYR A 66 22.312 -22.561 7.552 1.00 0.00 O ATOM 0 H TYR A 66 22.746 -27.297 1.044 1.00 0.00 H new ATOM 0 HA TYR A 66 20.983 -25.535 2.400 1.00 0.00 H new ATOM 0 HB2 TYR A 66 23.193 -26.712 3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 66 24.005 -25.360 2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 66 20.898 -25.567 4.496 1.00 0.00 H new ATOM 0 HD2 TYR A 66 24.798 -23.911 4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 66 20.565 -24.222 6.525 1.00 0.00 H new ATOM 0 HE2 TYR A 66 24.469 -22.570 6.066 1.00 0.00 H new ATOM 0 HH TYR A 66 23.114 -22.024 7.723 1.00 0.00 H new ATOM 1027 N SER A 67 22.752 -24.310 -0.054 1.00 0.00 N ATOM 1028 CA SER A 67 22.952 -23.136 -0.896 1.00 0.00 C ATOM 1029 C SER A 67 21.681 -22.798 -1.668 1.00 0.00 C ATOM 1030 O SER A 67 21.449 -21.644 -2.030 1.00 0.00 O ATOM 1031 CB SER A 67 24.108 -23.372 -1.870 1.00 0.00 C ATOM 1032 OG SER A 67 25.077 -22.344 -1.770 1.00 0.00 O ATOM 0 H SER A 67 23.184 -25.163 -0.410 1.00 0.00 H new ATOM 0 HA SER A 67 23.198 -22.293 -0.250 1.00 0.00 H new ATOM 0 HB2 SER A 67 24.573 -24.336 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 67 23.725 -23.417 -2.890 1.00 0.00 H new ATOM 0 HG SER A 67 25.065 -21.803 -2.587 1.00 0.00 H new ATOM 1038 N LEU A 68 20.861 -23.813 -1.919 1.00 0.00 N ATOM 1039 CA LEU A 68 19.612 -23.625 -2.649 1.00 0.00 C ATOM 1040 C LEU A 68 18.633 -22.778 -1.844 1.00 0.00 C ATOM 1041 O LEU A 68 17.839 -22.023 -2.407 1.00 0.00 O ATOM 1042 CB LEU A 68 18.982 -24.980 -2.977 1.00 0.00 C ATOM 1043 CG LEU A 68 19.592 -25.735 -4.159 1.00 0.00 C ATOM 1044 CD1 LEU A 68 18.962 -27.113 -4.294 1.00 0.00 C ATOM 1045 CD2 LEU A 68 19.421 -24.940 -5.445 1.00 0.00 C ATOM 0 H LEU A 68 21.039 -24.774 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 68 19.838 -23.101 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 68 19.050 -25.614 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 68 17.922 -24.826 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 68 20.659 -25.862 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 68 19.408 -27.636 -5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 68 19.136 -27.684 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 68 17.889 -27.008 -4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 68 19.861 -25.492 -6.275 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.360 -24.781 -5.636 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.920 -23.976 -5.346 1.00 0.00 H new ATOM 1057 N LEU A 69 18.695 -22.905 -0.523 1.00 0.00 N ATOM 1058 CA LEU A 69 17.815 -22.149 0.361 1.00 0.00 C ATOM 1059 C LEU A 69 17.926 -20.652 0.089 1.00 0.00 C ATOM 1060 O LEU A 69 16.918 -19.953 -0.011 1.00 0.00 O ATOM 1061 CB LEU A 69 18.157 -22.440 1.824 1.00 0.00 C ATOM 1062 CG LEU A 69 18.314 -23.914 2.196 1.00 0.00 C ATOM 1063 CD1 LEU A 69 18.536 -24.066 3.693 1.00 0.00 C ATOM 1064 CD2 LEU A 69 17.094 -24.709 1.752 1.00 0.00 C ATOM 0 H LEU A 69 19.346 -23.525 -0.040 1.00 0.00 H new ATOM 0 HA LEU A 69 16.789 -22.460 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 69 19.085 -21.923 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.377 -22.009 2.451 1.00 0.00 H new ATOM 0 HG LEU A 69 19.188 -24.309 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.646 -25.122 3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.440 -23.530 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 69 17.682 -23.655 4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 69 17.223 -25.756 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.204 -24.313 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 69 16.980 -24.627 0.671 1.00 0.00 H new ATOM 1076 N GLY A 70 19.158 -20.167 -0.031 1.00 0.00 N ATOM 1077 CA GLY A 70 19.377 -18.756 -0.292 1.00 0.00 C ATOM 1078 C GLY A 70 18.870 -18.333 -1.656 1.00 0.00 C ATOM 1079 O GLY A 70 18.450 -17.191 -1.844 1.00 0.00 O ATOM 0 H GLY A 70 20.008 -20.725 0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.878 -18.166 0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 70 20.442 -18.538 -0.220 1.00 0.00 H new ATOM 1083 N LEU A 71 18.911 -19.255 -2.612 1.00 0.00 N ATOM 1084 CA LEU A 71 18.454 -18.972 -3.968 1.00 0.00 C ATOM 1085 C LEU A 71 16.955 -18.686 -3.989 1.00 0.00 C ATOM 1086 O LEU A 71 16.525 -17.599 -4.374 1.00 0.00 O ATOM 1087 CB LEU A 71 18.773 -20.149 -4.892 1.00 0.00 C ATOM 1088 CG LEU A 71 20.253 -20.500 -5.044 1.00 0.00 C ATOM 1089 CD1 LEU A 71 20.423 -21.720 -5.936 1.00 0.00 C ATOM 1090 CD2 LEU A 71 21.027 -19.316 -5.604 1.00 0.00 C ATOM 0 H LEU A 71 19.256 -20.205 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 71 18.980 -18.086 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.248 -21.029 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.369 -19.929 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 71 20.654 -20.737 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 71 21.483 -21.955 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.902 -22.569 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 71 20.006 -21.511 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.079 -19.584 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 71 20.625 -19.048 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 71 20.933 -18.467 -4.927 1.00 0.00 H new ATOM 1102 N LYS A 72 16.165 -19.669 -3.570 1.00 0.00 N ATOM 1103 CA LYS A 72 14.715 -19.523 -3.537 1.00 0.00 C ATOM 1104 C LYS A 72 14.308 -18.321 -2.691 1.00 0.00 C ATOM 1105 O LYS A 72 13.247 -17.732 -2.902 1.00 0.00 O ATOM 1106 CB LYS A 72 14.067 -20.794 -2.982 1.00 0.00 C ATOM 1107 CG LYS A 72 14.464 -22.055 -3.729 1.00 0.00 C ATOM 1108 CD LYS A 72 14.195 -23.301 -2.901 1.00 0.00 C ATOM 1109 CE LYS A 72 15.419 -24.201 -2.836 1.00 0.00 C ATOM 1110 NZ LYS A 72 15.046 -25.636 -2.698 1.00 0.00 N ATOM 0 H LYS A 72 16.505 -20.575 -3.249 1.00 0.00 H new ATOM 0 HA LYS A 72 14.368 -19.361 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.340 -20.902 -1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.983 -20.685 -3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.911 -22.113 -4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.522 -22.009 -3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.900 -23.012 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.359 -23.852 -3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.017 -24.066 -3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.043 -23.905 -1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.908 -26.216 -2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.497 -25.770 -1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.472 -25.926 -3.515 1.00 0.00 H new