USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 569 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 16 CYS SG : rot -164:sc= -0.108 USER MOD Set 1.2: A 19 CYS SG : rot -98:sc= 0.146 USER MOD Set 1.3: A 21 THR OG1 : rot 98:sc= -0.148 USER MOD Set 1.4: A 23 SER OG : rot 130:sc= 0 USER MOD Set 1.5: A 41 CYS SG : rot 180:sc= -0.101 USER MOD Set 1.6: A 43 HIS : no HD1:sc= -1.54 K(o=-9,f=-10) USER MOD Set 1.7: A 44 CYS SG : rot 180:sc= -2.28! USER MOD Set 1.8: A 48 HIS : no HE2:sc= -5.01! C(o=-9!,f=-10!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -146:sc= -0.595 (180deg=-1.84) USER MOD Single : A 11 MET CE :methyl -163:sc= -0.132 (180deg=-0.635) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.024) USER MOD Single : A 24 SER OG : rot -143:sc= 0.505 USER MOD Single : A 25 HIS :FLIP no HD1:sc= -1.06 F(o=-1.9,f=-1.1) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.619 USER MOD Single : A 27 MET CE :methyl -154:sc= -2.13 (180deg=-3.98!) USER MOD Single : A 28 SER OG : rot 180:sc= 1.02 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN :FLIP amide:sc= -0.301 F(o=-1.4,f=-0.3) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -140:sc= -0.886 USER MOD Single : A 40 SER OG : rot 180:sc= -0.673 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.737 X(o=-0.74,f=-0.24) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -1.11 F(o=-1.8,f=-1.1) USER MOD Single : A 61 HIS : no HD1:sc= -0.0352 X(o=-0.035,f=9.3e-05) USER MOD Single : A 63 THR OG1 : rot 170:sc= -0.96 USER MOD Single : A 66 GLN : amide:sc= -0.259 K(o=-0.26,f=-1) USER MOD Single : A 68 MET CE :methyl 152:sc= -0.242 (180deg=-0.547) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N LYS A 9 -3.561 -19.935 -3.138 1.00 0.00 N ATOM 118 CA LYS A 9 -4.241 -20.803 -2.184 1.00 0.00 C ATOM 119 C LYS A 9 -3.236 -21.637 -1.395 1.00 0.00 C ATOM 120 O LYS A 9 -2.076 -21.760 -1.786 1.00 0.00 O ATOM 121 CB LYS A 9 -5.224 -21.723 -2.911 1.00 0.00 C ATOM 122 CG LYS A 9 -6.272 -20.977 -3.718 1.00 0.00 C ATOM 123 CD LYS A 9 -7.539 -21.799 -3.882 1.00 0.00 C ATOM 124 CE LYS A 9 -7.371 -22.877 -4.941 1.00 0.00 C ATOM 125 NZ LYS A 9 -8.622 -23.660 -5.140 1.00 0.00 N ATOM 0 HA LYS A 9 -4.791 -20.173 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.667 -22.383 -3.576 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.725 -22.357 -2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.510 -20.035 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.868 -20.729 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.800 -22.261 -2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.366 -21.144 -4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.077 -22.417 -5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.564 -23.550 -4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.466 -24.384 -5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.889 -24.120 -4.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.386 -23.023 -5.443 1.00 0.00 H new ATOM 139 N MET A 10 -3.690 -22.209 -0.285 1.00 0.00 N ATOM 140 CA MET A 10 -2.831 -23.034 0.556 1.00 0.00 C ATOM 141 C MET A 10 -3.615 -24.193 1.163 1.00 0.00 C ATOM 142 O MET A 10 -4.826 -24.099 1.359 1.00 0.00 O ATOM 143 CB MET A 10 -2.206 -22.188 1.668 1.00 0.00 C ATOM 144 CG MET A 10 -3.212 -21.327 2.414 1.00 0.00 C ATOM 145 SD MET A 10 -2.496 -20.516 3.857 1.00 0.00 S ATOM 146 CE MET A 10 -2.991 -21.642 5.159 1.00 0.00 C ATOM 0 H MET A 10 -4.648 -22.116 0.053 1.00 0.00 H new ATOM 0 HA MET A 10 -2.038 -23.444 -0.069 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.707 -22.847 2.378 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.439 -21.545 1.237 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.610 -20.571 1.737 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.052 -21.946 2.729 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.187 -21.079 6.072 1.00 0.00 H new ATOM 0 HE2 MET A 10 -3.895 -22.172 4.858 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.192 -22.361 5.341 1.00 0.00 H new ATOM 156 N MET A 11 -2.916 -25.284 1.457 1.00 0.00 N ATOM 157 CA MET A 11 -3.548 -26.461 2.043 1.00 0.00 C ATOM 158 C MET A 11 -3.169 -26.607 3.513 1.00 0.00 C ATOM 159 O MET A 11 -2.001 -26.469 3.879 1.00 0.00 O ATOM 160 CB MET A 11 -3.143 -27.720 1.273 1.00 0.00 C ATOM 161 CG MET A 11 -4.202 -28.810 1.292 1.00 0.00 C ATOM 162 SD MET A 11 -3.597 -30.376 0.633 1.00 0.00 S ATOM 163 CE MET A 11 -2.851 -29.833 -0.901 1.00 0.00 C ATOM 0 H MET A 11 -1.913 -25.378 1.299 1.00 0.00 H new ATOM 0 HA MET A 11 -4.628 -26.334 1.976 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.929 -27.450 0.239 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.220 -28.114 1.697 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.546 -28.959 2.315 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.064 -28.484 0.710 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.704 -30.690 -1.558 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.506 -29.110 -1.388 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.888 -29.367 -0.692 1.00 0.00 H new ATOM 173 N ILE A 12 -4.162 -26.885 4.350 1.00 0.00 N ATOM 174 CA ILE A 12 -3.932 -27.050 5.780 1.00 0.00 C ATOM 175 C ILE A 12 -4.810 -28.156 6.355 1.00 0.00 C ATOM 176 O ILE A 12 -6.034 -28.121 6.227 1.00 0.00 O ATOM 177 CB ILE A 12 -4.204 -25.743 6.549 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.558 -25.158 6.141 1.00 0.00 C ATOM 179 CG2 ILE A 12 -3.089 -24.739 6.296 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.424 -24.763 7.317 1.00 0.00 C ATOM 0 H ILE A 12 -5.134 -27.001 4.063 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.883 -27.322 5.901 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.232 -25.965 7.616 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.392 -24.283 5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.093 -25.889 5.535 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.295 -23.821 6.846 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.140 -25.157 6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.033 -24.519 5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.368 -24.356 6.954 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.620 -25.639 7.935 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.909 -24.008 7.911 1.00 0.00 H new ATOM 192 N ALA A 13 -4.177 -29.137 6.990 1.00 0.00 N ATOM 193 CA ALA A 13 -4.901 -30.252 7.588 1.00 0.00 C ATOM 194 C ALA A 13 -5.346 -29.919 9.008 1.00 0.00 C ATOM 195 O ALA A 13 -4.523 -29.614 9.871 1.00 0.00 O ATOM 196 CB ALA A 13 -4.038 -31.505 7.583 1.00 0.00 C ATOM 0 H ALA A 13 -3.164 -29.182 7.104 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.793 -30.437 6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.591 -32.330 8.032 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.775 -31.761 6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.129 -31.323 8.156 1.00 0.00 H new ATOM 202 N PHE A 14 -6.653 -29.980 9.243 1.00 0.00 N ATOM 203 CA PHE A 14 -7.207 -29.683 10.559 1.00 0.00 C ATOM 204 C PHE A 14 -7.780 -30.941 11.204 1.00 0.00 C ATOM 205 O PHE A 14 -8.453 -31.738 10.549 1.00 0.00 O ATOM 206 CB PHE A 14 -8.294 -28.612 10.448 1.00 0.00 C ATOM 207 CG PHE A 14 -9.687 -29.153 10.607 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.338 -29.749 9.539 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.344 -29.065 11.823 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.619 -30.249 9.682 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.625 -29.563 11.972 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.264 -30.154 10.900 1.00 0.00 C ATOM 0 H PHE A 14 -7.348 -30.232 8.540 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.401 -29.308 11.189 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.120 -27.849 11.207 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.212 -28.121 9.478 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.839 -29.824 8.584 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.850 -28.602 12.664 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.115 -30.713 8.842 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.126 -29.490 12.926 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.266 -30.541 11.013 1.00 0.00 H new ATOM 222 N THR A 15 -7.509 -31.115 12.494 1.00 0.00 N ATOM 223 CA THR A 15 -7.995 -32.276 13.228 1.00 0.00 C ATOM 224 C THR A 15 -9.410 -32.046 13.746 1.00 0.00 C ATOM 225 O THR A 15 -9.623 -31.259 14.670 1.00 0.00 O ATOM 226 CB THR A 15 -7.074 -32.615 14.416 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.725 -32.769 13.962 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.531 -33.891 15.107 1.00 0.00 C ATOM 0 H THR A 15 -6.955 -30.465 13.052 1.00 0.00 H new ATOM 0 HA THR A 15 -7.998 -33.113 12.530 1.00 0.00 H new ATOM 0 HB THR A 15 -7.124 -31.795 15.132 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.146 -32.983 14.723 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.866 -34.111 15.942 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.548 -33.760 15.477 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.507 -34.718 14.397 1.00 0.00 H new ATOM 236 N CYS A 16 -10.373 -32.737 13.148 1.00 0.00 N ATOM 237 CA CYS A 16 -11.770 -32.607 13.549 1.00 0.00 C ATOM 238 C CYS A 16 -11.998 -33.218 14.928 1.00 0.00 C ATOM 239 O CYS A 16 -12.001 -34.439 15.085 1.00 0.00 O ATOM 240 CB CYS A 16 -12.682 -33.280 12.522 1.00 0.00 C ATOM 241 SG CYS A 16 -14.369 -32.632 12.497 1.00 0.00 S ATOM 0 H CYS A 16 -10.213 -33.393 12.384 1.00 0.00 H new ATOM 0 HA CYS A 16 -12.012 -31.545 13.597 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.244 -33.162 11.531 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.718 -34.349 12.729 1.00 0.00 H new ATOM 0 HG CYS A 16 -15.143 -33.462 11.863 1.00 0.00 H new ATOM 246 N LYS A 17 -12.187 -32.361 15.925 1.00 0.00 N ATOM 247 CA LYS A 17 -12.416 -32.814 17.292 1.00 0.00 C ATOM 248 C LYS A 17 -13.803 -33.432 17.435 1.00 0.00 C ATOM 249 O LYS A 17 -14.117 -34.049 18.453 1.00 0.00 O ATOM 250 CB LYS A 17 -12.261 -31.648 18.271 1.00 0.00 C ATOM 251 CG LYS A 17 -10.836 -31.449 18.758 1.00 0.00 C ATOM 252 CD LYS A 17 -10.051 -30.537 17.830 1.00 0.00 C ATOM 253 CE LYS A 17 -10.105 -29.090 18.293 1.00 0.00 C ATOM 254 NZ LYS A 17 -8.941 -28.305 17.796 1.00 0.00 N ATOM 0 H LYS A 17 -12.186 -31.347 15.812 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.672 -33.576 17.525 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.603 -30.732 17.789 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.910 -31.817 19.130 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.850 -31.024 19.761 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.336 -32.415 18.828 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.013 -30.867 17.786 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.453 -30.612 16.819 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.029 -28.631 17.942 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.126 -29.058 19.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.015 -27.324 18.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.060 -28.728 18.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.935 -28.314 16.756 1.00 0.00 H new ATOM 268 N LYS A 18 -14.630 -33.262 16.409 1.00 0.00 N ATOM 269 CA LYS A 18 -15.984 -33.804 16.419 1.00 0.00 C ATOM 270 C LYS A 18 -15.964 -35.319 16.243 1.00 0.00 C ATOM 271 O LYS A 18 -16.521 -36.056 17.058 1.00 0.00 O ATOM 272 CB LYS A 18 -16.820 -33.162 15.310 1.00 0.00 C ATOM 273 CG LYS A 18 -16.917 -31.650 15.419 1.00 0.00 C ATOM 274 CD LYS A 18 -18.202 -31.127 14.800 1.00 0.00 C ATOM 275 CE LYS A 18 -18.083 -29.657 14.429 1.00 0.00 C ATOM 276 NZ LYS A 18 -18.354 -28.768 15.593 1.00 0.00 N ATOM 0 H LYS A 18 -14.386 -32.753 15.559 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.434 -33.574 17.385 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.387 -33.421 14.344 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.824 -33.585 15.333 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.872 -31.356 16.468 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.061 -31.193 14.923 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.442 -31.710 13.911 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -19.026 -31.261 15.501 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.082 -29.459 14.046 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.783 -29.427 13.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.263 -27.774 15.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.318 -28.939 15.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.670 -28.969 16.350 1.00 0.00 H new ATOM 290 N CYS A 19 -15.319 -35.778 15.176 1.00 0.00 N ATOM 291 CA CYS A 19 -15.226 -37.206 14.893 1.00 0.00 C ATOM 292 C CYS A 19 -13.780 -37.683 14.971 1.00 0.00 C ATOM 293 O CYS A 19 -13.440 -38.752 14.466 1.00 0.00 O ATOM 294 CB CYS A 19 -15.803 -37.512 13.510 1.00 0.00 C ATOM 295 SG CYS A 19 -15.189 -36.430 12.198 1.00 0.00 S ATOM 0 H CYS A 19 -14.853 -35.182 14.492 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.806 -37.739 15.646 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.571 -38.545 13.252 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.889 -37.430 13.555 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.047 -35.477 11.984 1.00 0.00 H new ATOM 300 N ASN A 20 -12.931 -36.881 15.607 1.00 0.00 N ATOM 301 CA ASN A 20 -11.520 -37.220 15.749 1.00 0.00 C ATOM 302 C ASN A 20 -10.918 -37.619 14.405 1.00 0.00 C ATOM 303 O ASN A 20 -10.002 -38.440 14.341 1.00 0.00 O ATOM 304 CB ASN A 20 -11.346 -38.359 16.756 1.00 0.00 C ATOM 305 CG ASN A 20 -9.992 -38.327 17.437 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.248 -39.308 17.409 1.00 0.00 O ATOM 307 ND2 ASN A 20 -9.666 -37.197 18.053 1.00 0.00 N ATOM 0 H ASN A 20 -13.196 -35.992 16.032 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.996 -36.337 16.115 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.130 -38.296 17.510 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.470 -39.314 16.245 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.767 -37.116 18.529 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.314 -36.409 18.050 1.00 0.00 H new ATOM 314 N THR A 21 -11.439 -37.032 13.332 1.00 0.00 N ATOM 315 CA THR A 21 -10.955 -37.326 11.989 1.00 0.00 C ATOM 316 C THR A 21 -10.169 -36.151 11.419 1.00 0.00 C ATOM 317 O THR A 21 -10.606 -35.003 11.498 1.00 0.00 O ATOM 318 CB THR A 21 -12.115 -37.665 11.035 1.00 0.00 C ATOM 319 OG1 THR A 21 -12.902 -38.730 11.579 1.00 0.00 O ATOM 320 CG2 THR A 21 -11.590 -38.064 9.664 1.00 0.00 C ATOM 0 H THR A 21 -12.197 -36.350 13.367 1.00 0.00 H new ATOM 0 HA THR A 21 -10.299 -38.192 12.072 1.00 0.00 H new ATOM 0 HB THR A 21 -12.736 -36.776 10.924 1.00 0.00 H new ATOM 0 HG1 THR A 21 -13.689 -38.358 12.029 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.428 -38.299 9.008 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.017 -37.240 9.240 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.948 -38.940 9.761 1.00 0.00 H new ATOM 328 N ARG A 22 -9.008 -36.445 10.843 1.00 0.00 N ATOM 329 CA ARG A 22 -8.161 -35.412 10.259 1.00 0.00 C ATOM 330 C ARG A 22 -8.346 -35.348 8.745 1.00 0.00 C ATOM 331 O ARG A 22 -8.121 -36.332 8.041 1.00 0.00 O ATOM 332 CB ARG A 22 -6.692 -35.677 10.593 1.00 0.00 C ATOM 333 CG ARG A 22 -5.812 -34.443 10.491 1.00 0.00 C ATOM 334 CD ARG A 22 -4.415 -34.794 10.003 1.00 0.00 C ATOM 335 NE ARG A 22 -4.435 -35.392 8.671 1.00 0.00 N ATOM 336 CZ ARG A 22 -3.341 -35.629 7.956 1.00 0.00 C ATOM 337 NH1 ARG A 22 -2.147 -35.321 8.442 1.00 0.00 N ATOM 338 NH2 ARG A 22 -3.440 -36.177 6.751 1.00 0.00 N ATOM 0 H ARG A 22 -8.632 -37.390 10.768 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.456 -34.453 10.685 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.625 -36.078 11.604 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.308 -36.443 9.920 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.267 -33.725 9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.747 -33.959 11.466 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.800 -33.894 9.987 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.949 -35.486 10.704 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.338 -35.641 8.268 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.066 -34.901 9.368 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.309 -35.504 7.890 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.357 -36.416 6.373 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.599 -36.359 6.203 1.00 0.00 H new ATOM 352 N SER A 23 -8.758 -34.185 8.253 1.00 0.00 N ATOM 353 CA SER A 23 -8.978 -33.994 6.824 1.00 0.00 C ATOM 354 C SER A 23 -8.302 -32.715 6.337 1.00 0.00 C ATOM 355 O SER A 23 -8.275 -31.707 7.042 1.00 0.00 O ATOM 356 CB SER A 23 -10.476 -33.941 6.519 1.00 0.00 C ATOM 357 OG SER A 23 -11.051 -35.235 6.560 1.00 0.00 O ATOM 0 H SER A 23 -8.946 -33.360 8.823 1.00 0.00 H new ATOM 0 HA SER A 23 -8.538 -34.841 6.297 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.975 -33.295 7.242 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.634 -33.500 5.535 1.00 0.00 H new ATOM 0 HG SER A 23 -11.851 -35.220 7.127 1.00 0.00 H new ATOM 363 N SER A 24 -7.758 -32.766 5.125 1.00 0.00 N ATOM 364 CA SER A 24 -7.079 -31.614 4.544 1.00 0.00 C ATOM 365 C SER A 24 -8.031 -30.809 3.665 1.00 0.00 C ATOM 366 O SER A 24 -8.894 -31.369 2.989 1.00 0.00 O ATOM 367 CB SER A 24 -5.870 -32.069 3.723 1.00 0.00 C ATOM 368 OG SER A 24 -5.087 -30.962 3.313 1.00 0.00 O ATOM 0 H SER A 24 -7.774 -33.592 4.527 1.00 0.00 H new ATOM 0 HA SER A 24 -6.737 -30.976 5.359 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.260 -32.751 4.315 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.209 -32.623 2.848 1.00 0.00 H new ATOM 0 HG SER A 24 -4.740 -31.123 2.411 1.00 0.00 H new ATOM 374 N HIS A 25 -7.867 -29.490 3.679 1.00 0.00 N ATOM 375 CA HIS A 25 -8.711 -28.606 2.883 1.00 0.00 C ATOM 376 C HIS A 25 -7.919 -27.398 2.390 1.00 0.00 C ATOM 377 O HIS A 25 -7.293 -26.688 3.178 1.00 0.00 O ATOM 378 CB HIS A 25 -9.914 -28.140 3.704 1.00 0.00 C ATOM 379 CG HIS A 25 -10.486 -29.207 4.586 1.00 0.00 C ATOM 380 ND1 HIS A 25 -10.047 -29.711 5.763 1.00 0.00 N flip ATOM 381 CD2 HIS A 25 -11.648 -29.887 4.289 1.00 0.00 C flip ATOM 382 CE1 HIS A 25 -10.944 -30.676 6.152 1.00 0.00 C flip ATOM 383 NE2 HIS A 25 -11.901 -30.762 5.246 1.00 0.00 N flip ATOM 0 H HIS A 25 -7.158 -29.010 4.233 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.065 -29.165 2.017 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.616 -27.292 4.320 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.691 -27.785 3.026 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -12.257 -29.729 3.411 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.877 -31.268 7.053 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.699 -31.396 5.279 1.00 0.00 H new ATOM 391 N THR A 26 -7.950 -27.171 1.080 1.00 0.00 N ATOM 392 CA THR A 26 -7.235 -26.052 0.481 1.00 0.00 C ATOM 393 C THR A 26 -8.126 -24.819 0.383 1.00 0.00 C ATOM 394 O THR A 26 -9.274 -24.905 -0.052 1.00 0.00 O ATOM 395 CB THR A 26 -6.711 -26.406 -0.923 1.00 0.00 C ATOM 396 OG1 THR A 26 -6.445 -27.811 -1.006 1.00 0.00 O ATOM 397 CG2 THR A 26 -5.445 -25.625 -1.242 1.00 0.00 C ATOM 0 H THR A 26 -8.463 -27.748 0.414 1.00 0.00 H new ATOM 0 HA THR A 26 -6.388 -25.834 1.132 1.00 0.00 H new ATOM 0 HB THR A 26 -7.477 -26.137 -1.651 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.114 -28.029 -1.902 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.094 -25.892 -2.239 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.658 -24.557 -1.207 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.675 -25.866 -0.509 1.00 0.00 H new ATOM 405 N MET A 27 -7.590 -23.673 0.788 1.00 0.00 N ATOM 406 CA MET A 27 -8.338 -22.422 0.743 1.00 0.00 C ATOM 407 C MET A 27 -7.404 -21.238 0.509 1.00 0.00 C ATOM 408 O MET A 27 -6.199 -21.332 0.740 1.00 0.00 O ATOM 409 CB MET A 27 -9.118 -22.221 2.044 1.00 0.00 C ATOM 410 CG MET A 27 -8.229 -21.993 3.256 1.00 0.00 C ATOM 411 SD MET A 27 -7.677 -23.534 4.013 1.00 0.00 S ATOM 412 CE MET A 27 -9.194 -24.096 4.781 1.00 0.00 C ATOM 0 H MET A 27 -6.641 -23.584 1.151 1.00 0.00 H new ATOM 0 HA MET A 27 -9.041 -22.478 -0.088 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.787 -21.368 1.929 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.744 -23.096 2.222 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.359 -21.407 2.959 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.773 -21.404 3.995 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.956 -24.735 5.632 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.769 -23.236 5.123 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.781 -24.660 4.057 1.00 0.00 H new ATOM 422 N SER A 28 -7.969 -20.126 0.049 1.00 0.00 N ATOM 423 CA SER A 28 -7.186 -18.926 -0.220 1.00 0.00 C ATOM 424 C SER A 28 -6.391 -18.508 1.013 1.00 0.00 C ATOM 425 O SER A 28 -6.953 -18.301 2.088 1.00 0.00 O ATOM 426 CB SER A 28 -8.102 -17.783 -0.662 1.00 0.00 C ATOM 427 OG SER A 28 -7.653 -16.542 -0.145 1.00 0.00 O ATOM 0 H SER A 28 -8.966 -20.031 -0.145 1.00 0.00 H new ATOM 0 HA SER A 28 -6.485 -19.152 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.133 -17.737 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.120 -17.976 -0.322 1.00 0.00 H new ATOM 0 HG SER A 28 -8.254 -15.827 -0.443 1.00 0.00 H new ATOM 433 N LYS A 29 -5.078 -18.387 0.849 1.00 0.00 N ATOM 434 CA LYS A 29 -4.202 -17.993 1.947 1.00 0.00 C ATOM 435 C LYS A 29 -4.574 -16.609 2.468 1.00 0.00 C ATOM 436 O LYS A 29 -4.522 -16.355 3.672 1.00 0.00 O ATOM 437 CB LYS A 29 -2.742 -18.003 1.490 1.00 0.00 C ATOM 438 CG LYS A 29 -2.443 -17.004 0.385 1.00 0.00 C ATOM 439 CD LYS A 29 -1.862 -15.715 0.941 1.00 0.00 C ATOM 440 CE LYS A 29 -0.817 -15.126 0.007 1.00 0.00 C ATOM 441 NZ LYS A 29 0.511 -15.777 0.179 1.00 0.00 N ATOM 0 H LYS A 29 -4.597 -18.556 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.327 -18.712 2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.101 -17.789 2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.486 -19.004 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.742 -17.444 -0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.358 -16.784 -0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.662 -14.991 1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.413 -15.908 1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.147 -15.241 -1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.724 -14.056 0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.196 -15.347 -0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.838 -15.646 1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.428 -16.793 -0.025 1.00 0.00 H new ATOM 455 N GLN A 30 -4.948 -15.718 1.556 1.00 0.00 N ATOM 456 CA GLN A 30 -5.329 -14.360 1.925 1.00 0.00 C ATOM 457 C GLN A 30 -6.654 -14.352 2.680 1.00 0.00 C ATOM 458 O GLN A 30 -6.830 -13.601 3.638 1.00 0.00 O ATOM 459 CB GLN A 30 -5.433 -13.480 0.679 1.00 0.00 C ATOM 460 CG GLN A 30 -4.625 -12.195 0.772 1.00 0.00 C ATOM 461 CD GLN A 30 -5.489 -10.982 1.055 1.00 0.00 C ATOM 462 OE1 GLN A 30 -6.343 -11.085 2.066 1.00 0.00 O flip ATOM 463 NE2 GLN A 30 -5.391 -9.962 0.371 1.00 0.00 N flip ATOM 0 H GLN A 30 -4.995 -15.912 0.556 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.556 -13.959 2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.096 -14.050 -0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.480 -13.229 0.508 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.878 -12.296 1.559 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.085 -12.042 -0.162 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.721 -9.926 -0.397 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.980 -9.154 0.573 1.00 0.00 H new ATOM 472 N ALA A 31 -7.585 -15.193 2.240 1.00 0.00 N ATOM 473 CA ALA A 31 -8.894 -15.284 2.875 1.00 0.00 C ATOM 474 C ALA A 31 -8.798 -15.968 4.234 1.00 0.00 C ATOM 475 O ALA A 31 -9.565 -15.664 5.148 1.00 0.00 O ATOM 476 CB ALA A 31 -9.867 -16.030 1.973 1.00 0.00 C ATOM 0 H ALA A 31 -7.457 -15.821 1.446 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.266 -14.272 3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.841 -16.091 2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.967 -15.498 1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.491 -17.036 1.786 1.00 0.00 H new ATOM 482 N TYR A 32 -7.854 -16.893 4.360 1.00 0.00 N ATOM 483 CA TYR A 32 -7.660 -17.623 5.608 1.00 0.00 C ATOM 484 C TYR A 32 -6.894 -16.778 6.620 1.00 0.00 C ATOM 485 O TYR A 32 -7.283 -16.679 7.783 1.00 0.00 O ATOM 486 CB TYR A 32 -6.911 -18.931 5.347 1.00 0.00 C ATOM 487 CG TYR A 32 -6.448 -19.625 6.608 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.201 -19.352 7.157 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.257 -20.555 7.250 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.774 -19.985 8.308 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.839 -21.190 8.403 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.596 -20.903 8.928 1.00 0.00 C ATOM 493 OH TYR A 32 -5.175 -21.535 10.075 1.00 0.00 O ATOM 0 H TYR A 32 -7.211 -17.156 3.613 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.642 -17.851 6.022 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.559 -19.606 4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.046 -18.725 4.717 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.555 -18.633 6.676 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.229 -20.785 6.840 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.801 -19.762 8.721 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.482 -21.908 8.891 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.873 -22.150 10.385 1.00 0.00 H new ATOM 503 N GLU A 33 -5.802 -16.169 6.168 1.00 0.00 N ATOM 504 CA GLU A 33 -4.980 -15.332 7.034 1.00 0.00 C ATOM 505 C GLU A 33 -5.693 -14.024 7.362 1.00 0.00 C ATOM 506 O GLU A 33 -5.603 -13.518 8.481 1.00 0.00 O ATOM 507 CB GLU A 33 -3.633 -15.039 6.368 1.00 0.00 C ATOM 508 CG GLU A 33 -2.720 -16.251 6.283 1.00 0.00 C ATOM 509 CD GLU A 33 -1.273 -15.874 6.032 1.00 0.00 C ATOM 510 OE1 GLU A 33 -0.541 -15.645 7.017 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.873 -15.809 4.851 1.00 0.00 O ATOM 0 H GLU A 33 -5.466 -16.240 5.207 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.807 -15.874 7.964 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.810 -14.656 5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.126 -14.251 6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.788 -16.818 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.065 -16.906 5.483 1.00 0.00 H new ATOM 518 N LYS A 34 -6.401 -13.480 6.377 1.00 0.00 N ATOM 519 CA LYS A 34 -7.131 -12.231 6.559 1.00 0.00 C ATOM 520 C LYS A 34 -8.557 -12.352 6.032 1.00 0.00 C ATOM 521 O LYS A 34 -8.908 -11.749 5.019 1.00 0.00 O ATOM 522 CB LYS A 34 -6.408 -11.086 5.846 1.00 0.00 C ATOM 523 CG LYS A 34 -4.960 -10.919 6.276 1.00 0.00 C ATOM 524 CD LYS A 34 -4.836 -9.983 7.466 1.00 0.00 C ATOM 525 CE LYS A 34 -4.757 -10.753 8.775 1.00 0.00 C ATOM 526 NZ LYS A 34 -4.138 -9.941 9.860 1.00 0.00 N ATOM 0 H LYS A 34 -6.484 -13.885 5.445 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.174 -12.017 7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.441 -11.260 4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.944 -10.156 6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.541 -11.892 6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.375 -10.529 5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.946 -9.364 7.352 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.692 -9.309 7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.758 -11.059 9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.176 -11.663 8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.102 -10.501 10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.173 -9.670 9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.706 -9.085 10.020 1.00 0.00 H new ATOM 540 N GLY A 35 -9.375 -13.136 6.727 1.00 0.00 N ATOM 541 CA GLY A 35 -10.754 -13.321 6.314 1.00 0.00 C ATOM 542 C GLY A 35 -11.391 -14.541 6.950 1.00 0.00 C ATOM 543 O GLY A 35 -10.821 -15.147 7.857 1.00 0.00 O ATOM 0 H GLY A 35 -9.108 -13.646 7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.331 -12.435 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.795 -13.417 5.229 1.00 0.00 H new ATOM 547 N THR A 36 -12.579 -14.901 6.474 1.00 0.00 N ATOM 548 CA THR A 36 -13.296 -16.055 7.003 1.00 0.00 C ATOM 549 C THR A 36 -13.147 -17.263 6.086 1.00 0.00 C ATOM 550 O THR A 36 -13.167 -17.132 4.862 1.00 0.00 O ATOM 551 CB THR A 36 -14.794 -15.748 7.190 1.00 0.00 C ATOM 552 OG1 THR A 36 -14.964 -14.408 7.665 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.428 -16.723 8.170 1.00 0.00 C ATOM 0 H THR A 36 -13.065 -14.410 5.723 1.00 0.00 H new ATOM 0 HA THR A 36 -12.855 -16.283 7.974 1.00 0.00 H new ATOM 0 HB THR A 36 -15.288 -15.856 6.224 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.676 -14.387 8.338 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.486 -16.486 8.286 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.323 -17.740 7.791 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.930 -16.643 9.136 1.00 0.00 H new ATOM 561 N VAL A 37 -12.999 -18.440 6.685 1.00 0.00 N ATOM 562 CA VAL A 37 -12.849 -19.673 5.921 1.00 0.00 C ATOM 563 C VAL A 37 -13.632 -20.815 6.560 1.00 0.00 C ATOM 564 O VAL A 37 -13.541 -21.046 7.767 1.00 0.00 O ATOM 565 CB VAL A 37 -11.369 -20.084 5.804 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.648 -19.201 4.797 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.689 -20.021 7.164 1.00 0.00 C ATOM 0 H VAL A 37 -12.980 -18.566 7.697 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.245 -19.477 4.924 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.323 -21.113 5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.604 -19.506 4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.121 -19.302 3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.702 -18.162 5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.644 -20.315 7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.744 -19.004 7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.191 -20.700 7.854 1.00 0.00 H new ATOM 577 N LEU A 38 -14.402 -21.525 5.744 1.00 0.00 N ATOM 578 CA LEU A 38 -15.203 -22.644 6.229 1.00 0.00 C ATOM 579 C LEU A 38 -14.840 -23.932 5.496 1.00 0.00 C ATOM 580 O LEU A 38 -14.818 -23.972 4.265 1.00 0.00 O ATOM 581 CB LEU A 38 -16.693 -22.346 6.051 1.00 0.00 C ATOM 582 CG LEU A 38 -17.331 -21.457 7.119 1.00 0.00 C ATOM 583 CD1 LEU A 38 -17.183 -22.086 8.496 1.00 0.00 C ATOM 584 CD2 LEU A 38 -16.711 -20.067 7.097 1.00 0.00 C ATOM 0 H LEU A 38 -14.489 -21.346 4.744 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.990 -22.778 7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.835 -21.872 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.232 -23.293 6.025 1.00 0.00 H new ATOM 0 HG LEU A 38 -18.394 -21.363 6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.643 -21.439 9.243 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.675 -23.059 8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.125 -22.212 8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.177 -19.448 7.864 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.641 -20.143 7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.870 -19.613 6.119 1.00 0.00 H new ATOM 596 N ILE A 39 -14.557 -24.982 6.259 1.00 0.00 N ATOM 597 CA ILE A 39 -14.198 -26.271 5.682 1.00 0.00 C ATOM 598 C ILE A 39 -15.163 -27.362 6.131 1.00 0.00 C ATOM 599 O ILE A 39 -15.548 -27.423 7.299 1.00 0.00 O ATOM 600 CB ILE A 39 -12.764 -26.680 6.066 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.506 -26.389 7.546 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.753 -25.951 5.193 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.263 -27.061 8.086 1.00 0.00 C ATOM 0 H ILE A 39 -14.569 -24.965 7.279 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.258 -26.159 4.599 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.651 -27.752 5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.417 -25.312 7.686 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.368 -26.716 8.128 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.744 -26.251 5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.926 -26.204 4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.864 -24.875 5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.143 -26.811 9.140 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.358 -28.142 7.978 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.392 -26.716 7.529 1.00 0.00 H new ATOM 615 N SER A 40 -15.550 -28.225 5.196 1.00 0.00 N ATOM 616 CA SER A 40 -16.472 -29.314 5.495 1.00 0.00 C ATOM 617 C SER A 40 -15.726 -30.638 5.621 1.00 0.00 C ATOM 618 O SER A 40 -14.924 -30.996 4.758 1.00 0.00 O ATOM 619 CB SER A 40 -17.541 -29.419 4.406 1.00 0.00 C ATOM 620 OG SER A 40 -18.680 -30.121 4.874 1.00 0.00 O ATOM 0 H SER A 40 -15.239 -28.191 4.225 1.00 0.00 H new ATOM 0 HA SER A 40 -16.955 -29.097 6.448 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.834 -28.420 4.082 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.128 -29.929 3.535 1.00 0.00 H new ATOM 0 HG SER A 40 -19.349 -30.173 4.160 1.00 0.00 H new ATOM 626 N CYS A 41 -15.997 -31.362 6.702 1.00 0.00 N ATOM 627 CA CYS A 41 -15.351 -32.647 6.942 1.00 0.00 C ATOM 628 C CYS A 41 -16.115 -33.776 6.258 1.00 0.00 C ATOM 629 O CYS A 41 -17.299 -33.999 6.509 1.00 0.00 O ATOM 630 CB CYS A 41 -15.253 -32.919 8.444 1.00 0.00 C ATOM 631 SG CYS A 41 -14.242 -34.357 8.870 1.00 0.00 S ATOM 0 H CYS A 41 -16.659 -31.081 7.425 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.347 -32.605 6.521 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.839 -32.039 8.935 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.257 -33.064 8.842 1.00 0.00 H new ATOM 0 HG CYS A 41 -14.218 -34.503 10.162 1.00 0.00 H new ATOM 636 N PRO A 42 -15.423 -34.506 5.370 1.00 0.00 N ATOM 637 CA PRO A 42 -16.017 -35.623 4.630 1.00 0.00 C ATOM 638 C PRO A 42 -16.316 -36.819 5.527 1.00 0.00 C ATOM 639 O PRO A 42 -16.905 -37.807 5.086 1.00 0.00 O ATOM 640 CB PRO A 42 -14.940 -35.981 3.603 1.00 0.00 C ATOM 641 CG PRO A 42 -13.663 -35.520 4.217 1.00 0.00 C ATOM 642 CD PRO A 42 -14.008 -34.296 5.020 1.00 0.00 C ATOM 0 HA PRO A 42 -16.976 -35.354 4.187 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.921 -37.053 3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.122 -35.486 2.649 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.233 -36.295 4.852 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.923 -35.288 3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.383 -34.209 5.909 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.868 -33.383 4.441 1.00 0.00 H new ATOM 650 N HIS A 43 -15.906 -36.724 6.788 1.00 0.00 N ATOM 651 CA HIS A 43 -16.132 -37.799 7.748 1.00 0.00 C ATOM 652 C HIS A 43 -17.485 -37.640 8.434 1.00 0.00 C ATOM 653 O HIS A 43 -18.411 -38.414 8.188 1.00 0.00 O ATOM 654 CB HIS A 43 -15.016 -37.820 8.793 1.00 0.00 C ATOM 655 CG HIS A 43 -14.994 -39.068 9.620 1.00 0.00 C ATOM 656 ND1 HIS A 43 -14.141 -40.122 9.369 1.00 0.00 N ATOM 657 CD2 HIS A 43 -15.724 -39.427 10.702 1.00 0.00 C ATOM 658 CE1 HIS A 43 -14.350 -41.076 10.258 1.00 0.00 C ATOM 659 NE2 HIS A 43 -15.305 -40.679 11.079 1.00 0.00 N ATOM 0 H HIS A 43 -15.416 -35.914 7.169 1.00 0.00 H new ATOM 0 HA HIS A 43 -16.129 -38.744 7.205 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -14.056 -37.711 8.289 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -15.130 -36.959 9.452 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -16.493 -38.838 11.180 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -13.828 -42.020 10.305 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -15.672 -41.215 11.865 1.00 0.00 H new ATOM 667 N CYS A 44 -17.592 -36.633 9.293 1.00 0.00 N ATOM 668 CA CYS A 44 -18.832 -36.374 10.016 1.00 0.00 C ATOM 669 C CYS A 44 -19.819 -35.604 9.144 1.00 0.00 C ATOM 670 O CYS A 44 -21.007 -35.522 9.456 1.00 0.00 O ATOM 671 CB CYS A 44 -18.546 -35.589 11.298 1.00 0.00 C ATOM 672 SG CYS A 44 -17.626 -34.055 11.034 1.00 0.00 S ATOM 0 H CYS A 44 -16.836 -35.983 9.506 1.00 0.00 H new ATOM 0 HA CYS A 44 -19.278 -37.334 10.278 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.492 -35.354 11.786 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -17.984 -36.224 11.983 1.00 0.00 H new ATOM 0 HG CYS A 44 -17.435 -33.462 12.175 1.00 0.00 H new ATOM 677 N LYS A 45 -19.319 -35.039 8.051 1.00 0.00 N ATOM 678 CA LYS A 45 -20.154 -34.275 7.133 1.00 0.00 C ATOM 679 C LYS A 45 -20.701 -33.022 7.809 1.00 0.00 C ATOM 680 O LYS A 45 -21.838 -33.004 8.280 1.00 0.00 O ATOM 681 CB LYS A 45 -21.311 -35.139 6.625 1.00 0.00 C ATOM 682 CG LYS A 45 -21.842 -34.708 5.268 1.00 0.00 C ATOM 683 CD LYS A 45 -20.848 -35.008 4.159 1.00 0.00 C ATOM 684 CE LYS A 45 -21.513 -34.979 2.792 1.00 0.00 C ATOM 685 NZ LYS A 45 -20.819 -35.868 1.819 1.00 0.00 N ATOM 0 H LYS A 45 -18.338 -35.096 7.779 1.00 0.00 H new ATOM 0 HA LYS A 45 -19.537 -33.970 6.288 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -20.980 -36.176 6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.124 -35.107 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.782 -35.221 5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.059 -33.640 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.039 -34.278 4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -20.400 -35.987 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.554 -35.288 2.888 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.517 -33.957 2.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.302 -35.820 0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -19.832 -35.558 1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.837 -36.847 2.169 1.00 0.00 H new ATOM 699 N VAL A 46 -19.884 -31.974 7.853 1.00 0.00 N ATOM 700 CA VAL A 46 -20.286 -30.716 8.469 1.00 0.00 C ATOM 701 C VAL A 46 -19.205 -29.653 8.306 1.00 0.00 C ATOM 702 O VAL A 46 -18.016 -29.967 8.247 1.00 0.00 O ATOM 703 CB VAL A 46 -20.591 -30.897 9.968 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.309 -31.157 10.746 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.319 -29.678 10.515 1.00 0.00 C ATOM 0 H VAL A 46 -18.939 -31.972 7.469 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.192 -30.389 7.958 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.242 -31.763 10.087 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.544 -31.282 11.803 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.833 -32.063 10.370 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.631 -30.313 10.623 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.526 -29.823 11.575 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.696 -28.793 10.385 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.257 -29.543 9.977 1.00 0.00 H new ATOM 715 N ARG A 47 -19.626 -28.395 8.235 1.00 0.00 N ATOM 716 CA ARG A 47 -18.693 -27.285 8.078 1.00 0.00 C ATOM 717 C ARG A 47 -18.317 -26.696 9.434 1.00 0.00 C ATOM 718 O ARG A 47 -19.139 -26.641 10.349 1.00 0.00 O ATOM 719 CB ARG A 47 -19.304 -26.200 7.190 1.00 0.00 C ATOM 720 CG ARG A 47 -19.412 -26.599 5.727 1.00 0.00 C ATOM 721 CD ARG A 47 -20.597 -27.521 5.488 1.00 0.00 C ATOM 722 NE ARG A 47 -21.292 -27.208 4.242 1.00 0.00 N ATOM 723 CZ ARG A 47 -22.134 -28.041 3.641 1.00 0.00 C ATOM 724 NH1 ARG A 47 -22.386 -29.231 4.170 1.00 0.00 N ATOM 725 NH2 ARG A 47 -22.728 -27.684 2.509 1.00 0.00 N ATOM 0 H ARG A 47 -20.607 -28.118 8.284 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.789 -27.667 7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -20.297 -25.953 7.565 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.700 -25.296 7.268 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.515 -25.705 5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.494 -27.097 5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.252 -28.555 5.461 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -21.294 -27.439 6.322 1.00 0.00 H new ATOM 0 HE ARG A 47 -21.121 -26.300 3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -21.933 -29.508 5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.033 -29.869 3.706 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.538 -26.769 2.100 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.374 -28.324 2.048 1.00 0.00 H new ATOM 739 N HIS A 48 -17.068 -26.256 9.556 1.00 0.00 N ATOM 740 CA HIS A 48 -16.583 -25.670 10.801 1.00 0.00 C ATOM 741 C HIS A 48 -15.717 -24.445 10.523 1.00 0.00 C ATOM 742 O HIS A 48 -15.066 -24.355 9.481 1.00 0.00 O ATOM 743 CB HIS A 48 -15.785 -26.702 11.598 1.00 0.00 C ATOM 744 CG HIS A 48 -15.714 -28.045 10.937 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.545 -29.093 11.270 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.904 -28.506 9.955 1.00 0.00 C ATOM 747 CE1 HIS A 48 -16.249 -30.142 10.523 1.00 0.00 C ATOM 748 NE2 HIS A 48 -15.257 -29.812 9.716 1.00 0.00 N ATOM 0 H HIS A 48 -16.374 -26.294 8.809 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.447 -25.358 11.388 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.773 -26.327 11.751 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.235 -26.815 12.584 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -17.275 -29.063 11.982 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.126 -27.951 9.453 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.735 -31.105 10.565 1.00 0.00 H new ATOM 756 N LEU A 49 -15.715 -23.503 11.460 1.00 0.00 N ATOM 757 CA LEU A 49 -14.930 -22.282 11.316 1.00 0.00 C ATOM 758 C LEU A 49 -13.489 -22.505 11.764 1.00 0.00 C ATOM 759 O LEU A 49 -13.240 -23.103 12.811 1.00 0.00 O ATOM 760 CB LEU A 49 -15.560 -21.149 12.129 1.00 0.00 C ATOM 761 CG LEU A 49 -14.693 -19.905 12.329 1.00 0.00 C ATOM 762 CD1 LEU A 49 -14.565 -19.129 11.027 1.00 0.00 C ATOM 763 CD2 LEU A 49 -15.274 -19.021 13.423 1.00 0.00 C ATOM 0 H LEU A 49 -16.248 -23.561 12.328 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.924 -22.005 10.262 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.485 -20.848 11.638 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.832 -21.540 13.110 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.698 -20.225 12.637 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.945 -18.247 11.188 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.104 -19.763 10.269 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.554 -18.820 10.689 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.645 -18.141 13.552 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.280 -18.710 13.143 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.314 -19.579 14.359 1.00 0.00 H new ATOM 775 N ILE A 50 -12.545 -22.018 10.966 1.00 0.00 N ATOM 776 CA ILE A 50 -11.130 -22.161 11.283 1.00 0.00 C ATOM 777 C ILE A 50 -10.503 -20.813 11.622 1.00 0.00 C ATOM 778 O ILE A 50 -10.020 -20.604 12.735 1.00 0.00 O ATOM 779 CB ILE A 50 -10.353 -22.796 10.114 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.262 -22.952 8.894 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.779 -24.143 10.529 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.553 -23.507 7.679 1.00 0.00 C ATOM 0 H ILE A 50 -12.735 -21.521 10.096 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.066 -22.817 12.151 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.527 -22.138 9.846 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.093 -23.609 9.152 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.690 -21.981 8.643 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.233 -24.579 9.693 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.102 -24.006 11.372 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.590 -24.810 10.820 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.259 -23.590 6.852 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.740 -22.839 7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.149 -24.492 7.912 1.00 0.00 H new ATOM 794 N ALA A 51 -10.516 -19.901 10.656 1.00 0.00 N ATOM 795 CA ALA A 51 -9.952 -18.571 10.853 1.00 0.00 C ATOM 796 C ALA A 51 -10.993 -17.489 10.588 1.00 0.00 C ATOM 797 O ALA A 51 -11.268 -17.148 9.437 1.00 0.00 O ATOM 798 CB ALA A 51 -8.741 -18.373 9.955 1.00 0.00 C ATOM 0 H ALA A 51 -10.911 -20.059 9.729 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.636 -18.487 11.893 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.330 -17.376 10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.984 -19.119 10.195 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.040 -18.482 8.912 1.00 0.00 H new ATOM 804 N ASP A 52 -11.569 -16.953 11.658 1.00 0.00 N ATOM 805 CA ASP A 52 -12.581 -15.909 11.540 1.00 0.00 C ATOM 806 C ASP A 52 -11.948 -14.525 11.650 1.00 0.00 C ATOM 807 O ASP A 52 -11.332 -14.191 12.662 1.00 0.00 O ATOM 808 CB ASP A 52 -13.650 -16.081 12.620 1.00 0.00 C ATOM 809 CG ASP A 52 -13.056 -16.382 13.981 1.00 0.00 C ATOM 810 OD1 ASP A 52 -12.535 -17.502 14.168 1.00 0.00 O ATOM 811 OD2 ASP A 52 -13.110 -15.496 14.860 1.00 0.00 O ATOM 0 H ASP A 52 -11.353 -17.224 12.617 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.048 -15.999 10.559 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.249 -15.173 12.681 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.324 -16.889 12.334 1.00 0.00 H new ATOM 816 N HIS A 53 -12.103 -13.724 10.600 1.00 0.00 N ATOM 817 CA HIS A 53 -11.546 -12.376 10.578 1.00 0.00 C ATOM 818 C HIS A 53 -12.624 -11.349 10.248 1.00 0.00 C ATOM 819 O HIS A 53 -12.628 -10.242 10.789 1.00 0.00 O ATOM 820 CB HIS A 53 -10.411 -12.287 9.557 1.00 0.00 C ATOM 821 CG HIS A 53 -9.050 -12.232 10.179 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.491 -11.069 10.666 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.134 -13.206 10.393 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.290 -11.329 11.151 1.00 0.00 C ATOM 825 NE2 HIS A 53 -7.050 -12.619 10.998 1.00 0.00 N ATOM 0 H HIS A 53 -12.609 -13.985 9.754 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.151 -12.156 11.570 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.463 -13.149 8.892 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.556 -11.400 8.941 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.237 -14.250 10.136 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.619 -10.610 11.597 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.197 -13.101 11.283 1.00 0.00 H new ATOM 833 N LEU A 54 -13.537 -11.721 9.358 1.00 0.00 N ATOM 834 CA LEU A 54 -14.621 -10.831 8.955 1.00 0.00 C ATOM 835 C LEU A 54 -15.696 -10.758 10.035 1.00 0.00 C ATOM 836 O LEU A 54 -16.623 -9.953 9.951 1.00 0.00 O ATOM 837 CB LEU A 54 -15.236 -11.308 7.639 1.00 0.00 C ATOM 838 CG LEU A 54 -14.259 -11.536 6.485 1.00 0.00 C ATOM 839 CD1 LEU A 54 -14.958 -12.224 5.322 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.647 -10.217 6.036 1.00 0.00 C ATOM 0 H LEU A 54 -13.549 -12.633 8.901 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.205 -9.833 8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.769 -12.240 7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.978 -10.575 7.321 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.457 -12.185 6.836 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.247 -12.378 4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.348 -13.187 5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.780 -11.600 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.954 -10.398 5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.437 -9.544 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.111 -9.763 6.869 1.00 0.00 H new ATOM 852 N LYS A 55 -15.564 -11.604 11.052 1.00 0.00 N ATOM 853 CA LYS A 55 -16.520 -11.634 12.152 1.00 0.00 C ATOM 854 C LYS A 55 -17.951 -11.699 11.626 1.00 0.00 C ATOM 855 O LYS A 55 -18.812 -10.926 12.048 1.00 0.00 O ATOM 856 CB LYS A 55 -16.347 -10.401 13.040 1.00 0.00 C ATOM 857 CG LYS A 55 -14.978 -10.308 13.692 1.00 0.00 C ATOM 858 CD LYS A 55 -14.727 -8.924 14.267 1.00 0.00 C ATOM 859 CE LYS A 55 -14.484 -7.900 13.169 1.00 0.00 C ATOM 860 NZ LYS A 55 -13.817 -6.675 13.690 1.00 0.00 N ATOM 0 H LYS A 55 -14.803 -12.278 11.137 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.327 -12.529 12.744 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.517 -9.506 12.442 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.110 -10.414 13.818 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.900 -11.052 14.485 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.208 -10.543 12.958 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.583 -8.618 14.868 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.865 -8.956 14.933 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.867 -8.345 12.388 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.434 -7.628 12.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.669 -6.002 12.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.417 -6.236 14.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.899 -6.930 14.106 1.00 0.00 H new ATOM 874 N ILE A 56 -18.198 -12.625 10.706 1.00 0.00 N ATOM 875 CA ILE A 56 -19.525 -12.791 10.126 1.00 0.00 C ATOM 876 C ILE A 56 -20.467 -13.491 11.100 1.00 0.00 C ATOM 877 O ILE A 56 -21.576 -13.021 11.354 1.00 0.00 O ATOM 878 CB ILE A 56 -19.469 -13.596 8.815 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.537 -12.914 7.811 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.865 -13.751 8.229 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.092 -13.822 6.686 1.00 0.00 C ATOM 0 H ILE A 56 -17.496 -13.272 10.346 1.00 0.00 H new ATOM 0 HA ILE A 56 -19.904 -11.791 9.913 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.074 -14.589 9.032 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -19.044 -12.047 7.388 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.657 -12.544 8.338 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.809 -14.322 7.302 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.502 -14.276 8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.285 -12.766 8.023 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.434 -13.272 6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.556 -14.677 7.099 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -18.964 -14.172 6.134 1.00 0.00 H new ATOM 893 N PHE A 57 -20.016 -14.617 11.644 1.00 0.00 N ATOM 894 CA PHE A 57 -20.819 -15.382 12.591 1.00 0.00 C ATOM 895 C PHE A 57 -20.740 -14.772 13.988 1.00 0.00 C ATOM 896 O PHE A 57 -21.456 -15.187 14.900 1.00 0.00 O ATOM 897 CB PHE A 57 -20.348 -16.838 12.631 1.00 0.00 C ATOM 898 CG PHE A 57 -20.237 -17.469 11.272 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.362 -17.651 10.485 1.00 0.00 C ATOM 900 CD2 PHE A 57 -19.008 -17.879 10.783 1.00 0.00 C ATOM 901 CE1 PHE A 57 -21.263 -18.233 9.235 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.902 -18.461 9.534 1.00 0.00 C ATOM 903 CZ PHE A 57 -20.031 -18.637 8.758 1.00 0.00 C ATOM 0 H PHE A 57 -19.100 -15.019 11.445 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.856 -15.351 12.258 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.377 -16.884 13.125 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -21.042 -17.420 13.237 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.327 -17.335 10.852 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -18.122 -17.742 11.385 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -22.148 -18.372 8.632 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.938 -18.778 9.165 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.951 -19.089 7.781 1.00 0.00 H new ATOM 913 N HIS A 58 -19.864 -13.785 14.148 1.00 0.00 N ATOM 914 CA HIS A 58 -19.690 -13.118 15.433 1.00 0.00 C ATOM 915 C HIS A 58 -21.004 -12.502 15.907 1.00 0.00 C ATOM 916 O HIS A 58 -21.256 -12.402 17.107 1.00 0.00 O ATOM 917 CB HIS A 58 -18.615 -12.036 15.328 1.00 0.00 C ATOM 918 CG HIS A 58 -18.444 -11.238 16.584 1.00 0.00 C ATOM 919 ND1 HIS A 58 -18.295 -9.867 16.591 1.00 0.00 N ATOM 920 CD2 HIS A 58 -18.399 -11.626 17.880 1.00 0.00 C ATOM 921 CE1 HIS A 58 -18.166 -9.447 17.836 1.00 0.00 C ATOM 922 NE2 HIS A 58 -18.226 -10.494 18.638 1.00 0.00 N ATOM 0 H HIS A 58 -19.264 -13.430 13.404 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.374 -13.864 16.162 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.664 -12.504 15.072 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.869 -11.361 14.510 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -18.483 -12.637 18.249 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -18.034 -8.421 18.146 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -18.155 -10.467 19.655 1.00 0.00 H new ATOM 930 N ASP A 59 -21.835 -12.091 14.956 1.00 0.00 N ATOM 931 CA ASP A 59 -23.123 -11.485 15.276 1.00 0.00 C ATOM 932 C ASP A 59 -24.203 -12.552 15.424 1.00 0.00 C ATOM 933 O ASP A 59 -25.386 -12.238 15.558 1.00 0.00 O ATOM 934 CB ASP A 59 -23.523 -10.483 14.193 1.00 0.00 C ATOM 935 CG ASP A 59 -22.321 -9.861 13.508 1.00 0.00 C ATOM 936 OD1 ASP A 59 -21.819 -10.459 12.533 1.00 0.00 O ATOM 937 OD2 ASP A 59 -21.883 -8.777 13.947 1.00 0.00 O ATOM 0 H ASP A 59 -21.640 -12.166 13.958 1.00 0.00 H new ATOM 0 HA ASP A 59 -23.024 -10.960 16.226 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -24.143 -10.984 13.449 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.132 -9.696 14.637 1.00 0.00 H new ATOM 942 N HIS A 60 -23.789 -13.815 15.396 1.00 0.00 N ATOM 943 CA HIS A 60 -24.722 -14.928 15.526 1.00 0.00 C ATOM 944 C HIS A 60 -26.068 -14.587 14.893 1.00 0.00 C ATOM 945 O HIS A 60 -27.118 -14.759 15.513 1.00 0.00 O ATOM 946 CB HIS A 60 -24.915 -15.291 16.998 1.00 0.00 C ATOM 947 CG HIS A 60 -25.102 -14.101 17.888 1.00 0.00 C ATOM 948 ND1 HIS A 60 -26.160 -13.270 18.045 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -24.128 -13.645 18.751 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -25.809 -12.338 18.990 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -24.578 -12.587 19.401 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.814 -14.093 15.284 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.301 -15.785 15.001 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.782 -15.945 17.092 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -24.050 -15.858 17.340 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -23.149 -14.085 18.876 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.437 -11.532 19.341 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -24.063 -12.053 20.101 1.00 0.00 H new ATOM 959 N HIS A 61 -26.029 -14.100 13.657 1.00 0.00 N ATOM 960 CA HIS A 61 -27.245 -13.734 12.940 1.00 0.00 C ATOM 961 C HIS A 61 -27.159 -14.148 11.475 1.00 0.00 C ATOM 962 O HIS A 61 -27.980 -13.740 10.654 1.00 0.00 O ATOM 963 CB HIS A 61 -27.489 -12.228 13.043 1.00 0.00 C ATOM 964 CG HIS A 61 -28.557 -11.859 14.026 1.00 0.00 C ATOM 965 ND1 HIS A 61 -29.849 -11.555 13.654 1.00 0.00 N ATOM 966 CD2 HIS A 61 -28.519 -11.748 15.375 1.00 0.00 C ATOM 967 CE1 HIS A 61 -30.560 -11.272 14.731 1.00 0.00 C ATOM 968 NE2 HIS A 61 -29.776 -11.382 15.789 1.00 0.00 N ATOM 0 H HIS A 61 -25.168 -13.950 13.131 1.00 0.00 H new ATOM 0 HA HIS A 61 -28.080 -14.263 13.399 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.559 -11.736 13.328 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.764 -11.845 12.060 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -27.660 -11.916 16.008 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -31.604 -10.997 14.744 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -30.059 -11.221 16.756 1.00 0.00 H new ATOM 976 N VAL A 62 -26.158 -14.961 11.153 1.00 0.00 N ATOM 977 CA VAL A 62 -25.964 -15.431 9.786 1.00 0.00 C ATOM 978 C VAL A 62 -25.645 -16.922 9.758 1.00 0.00 C ATOM 979 O VAL A 62 -24.828 -17.409 10.540 1.00 0.00 O ATOM 980 CB VAL A 62 -24.829 -14.662 9.084 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.490 -14.973 9.734 1.00 0.00 C ATOM 982 CG2 VAL A 62 -24.800 -14.994 7.600 1.00 0.00 C ATOM 0 H VAL A 62 -25.469 -15.308 11.820 1.00 0.00 H new ATOM 0 HA VAL A 62 -26.898 -15.252 9.254 1.00 0.00 H new ATOM 0 HB VAL A 62 -25.018 -13.594 9.191 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.701 -14.420 9.224 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.518 -14.680 10.784 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.290 -16.042 9.661 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -23.992 -14.442 7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.636 -16.064 7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.751 -14.714 7.146 1.00 0.00 H new ATOM 992 N THR A 63 -26.295 -17.644 8.850 1.00 0.00 N ATOM 993 CA THR A 63 -26.082 -19.079 8.719 1.00 0.00 C ATOM 994 C THR A 63 -25.191 -19.396 7.524 1.00 0.00 C ATOM 995 O THR A 63 -25.051 -18.585 6.609 1.00 0.00 O ATOM 996 CB THR A 63 -27.417 -19.833 8.564 1.00 0.00 C ATOM 997 OG1 THR A 63 -27.174 -21.169 8.108 1.00 0.00 O ATOM 998 CG2 THR A 63 -28.333 -19.115 7.585 1.00 0.00 C ATOM 0 H THR A 63 -26.974 -17.257 8.194 1.00 0.00 H new ATOM 0 HA THR A 63 -25.590 -19.410 9.633 1.00 0.00 H new ATOM 0 HB THR A 63 -27.907 -19.865 9.537 1.00 0.00 H new ATOM 0 HG1 THR A 63 -28.002 -21.690 8.165 1.00 0.00 H new ATOM 0 HG21 THR A 63 -29.269 -19.666 7.492 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.539 -18.109 7.950 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.849 -19.055 6.610 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.589 -20.582 7.538 1.00 0.00 N ATOM 1007 CA VAL A 64 -23.712 -21.007 6.454 1.00 0.00 C ATOM 1008 C VAL A 64 -24.427 -20.936 5.109 1.00 0.00 C ATOM 1009 O VAL A 64 -23.865 -20.465 4.121 1.00 0.00 O ATOM 1010 CB VAL A 64 -23.200 -22.443 6.676 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -22.292 -22.869 5.533 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -22.478 -22.550 8.011 1.00 0.00 C ATOM 0 H VAL A 64 -24.693 -21.265 8.288 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.863 -20.324 6.447 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.057 -23.117 6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -21.940 -23.886 5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -22.846 -22.833 4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -21.438 -22.194 5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -22.123 -23.571 8.152 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -21.629 -21.866 8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -23.164 -22.290 8.817 1.00 0.00 H new ATOM 1022 N GLU A 65 -25.670 -21.407 5.080 1.00 0.00 N ATOM 1023 CA GLU A 65 -26.461 -21.398 3.855 1.00 0.00 C ATOM 1024 C GLU A 65 -26.614 -19.978 3.318 1.00 0.00 C ATOM 1025 O GLU A 65 -26.588 -19.756 2.108 1.00 0.00 O ATOM 1026 CB GLU A 65 -27.840 -22.010 4.108 1.00 0.00 C ATOM 1027 CG GLU A 65 -28.680 -21.229 5.104 1.00 0.00 C ATOM 1028 CD GLU A 65 -30.031 -21.869 5.357 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -30.075 -23.098 5.574 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -31.045 -21.140 5.336 1.00 0.00 O ATOM 0 H GLU A 65 -26.150 -21.799 5.890 1.00 0.00 H new ATOM 0 HA GLU A 65 -25.937 -21.996 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.379 -22.074 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -27.714 -23.030 4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -28.138 -21.149 6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -28.827 -20.215 4.733 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.774 -19.021 4.227 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.933 -17.623 3.844 1.00 0.00 C ATOM 1039 C GLN A 66 -25.678 -17.102 3.152 1.00 0.00 C ATOM 1040 O GLN A 66 -25.757 -16.432 2.122 1.00 0.00 O ATOM 1041 CB GLN A 66 -27.243 -16.768 5.074 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.730 -16.628 5.358 1.00 0.00 C ATOM 1043 CD GLN A 66 -29.021 -15.646 6.475 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -29.654 -15.993 7.473 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.559 -14.412 6.314 1.00 0.00 N ATOM 0 H GLN A 66 -26.797 -19.188 5.233 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.766 -17.557 3.144 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.755 -17.207 5.944 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.813 -15.776 4.935 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -29.240 -16.303 4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -29.139 -17.603 5.621 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -28.039 -14.168 5.471 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -28.724 -13.708 7.033 1.00 0.00 H new ATOM 1054 N LEU A 67 -24.520 -17.415 3.724 1.00 0.00 N ATOM 1055 CA LEU A 67 -23.247 -16.978 3.162 1.00 0.00 C ATOM 1056 C LEU A 67 -23.094 -17.457 1.722 1.00 0.00 C ATOM 1057 O LEU A 67 -22.546 -16.750 0.877 1.00 0.00 O ATOM 1058 CB LEU A 67 -22.086 -17.500 4.011 1.00 0.00 C ATOM 1059 CG LEU A 67 -21.583 -16.562 5.109 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -22.175 -16.949 6.455 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -20.063 -16.578 5.169 1.00 0.00 C ATOM 0 H LEU A 67 -24.437 -17.969 4.576 1.00 0.00 H new ATOM 0 HA LEU A 67 -23.231 -15.888 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.394 -18.437 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.252 -17.731 3.348 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.907 -15.549 4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.805 -16.270 7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.262 -16.885 6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.882 -17.970 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.723 -15.905 5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.718 -17.590 5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.658 -16.251 4.211 1.00 0.00 H new ATOM 1073 N MET A 68 -23.584 -18.662 1.450 1.00 0.00 N ATOM 1074 CA MET A 68 -23.504 -19.234 0.111 1.00 0.00 C ATOM 1075 C MET A 68 -24.306 -18.402 -0.885 1.00 0.00 C ATOM 1076 O MET A 68 -23.835 -18.104 -1.983 1.00 0.00 O ATOM 1077 CB MET A 68 -24.017 -20.676 0.118 1.00 0.00 C ATOM 1078 CG MET A 68 -22.995 -21.682 0.618 1.00 0.00 C ATOM 1079 SD MET A 68 -23.160 -23.293 -0.174 1.00 0.00 S ATOM 1080 CE MET A 68 -23.064 -24.381 1.246 1.00 0.00 C ATOM 0 H MET A 68 -24.040 -19.261 2.138 1.00 0.00 H new ATOM 0 HA MET A 68 -22.458 -19.229 -0.197 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.907 -20.733 0.744 1.00 0.00 H new ATOM 0 HB3 MET A 68 -24.320 -20.950 -0.893 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.992 -21.295 0.439 1.00 0.00 H new ATOM 0 HG3 MET A 68 -23.104 -21.799 1.696 1.00 0.00 H new ATOM 0 HE1 MET A 68 -23.618 -25.297 1.040 1.00 0.00 H new ATOM 0 HE2 MET A 68 -22.021 -24.625 1.448 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.495 -23.884 2.115 1.00 0.00 H new ATOM 1254 N ASP A 81 -15.778 -26.659 0.958 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.171 -25.570 1.715 1.00 0.00 C ATOM 1256 C ASP A 81 -15.290 -24.251 0.959 1.00 0.00 C ATOM 1257 O ASP A 81 -15.175 -24.213 -0.267 1.00 0.00 O ATOM 1258 CB ASP A 81 -13.700 -25.877 2.002 1.00 0.00 C ATOM 1259 CG ASP A 81 -12.833 -25.764 0.763 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -12.988 -26.604 -0.149 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -12.001 -24.835 0.705 1.00 0.00 O ATOM 0 HA ASP A 81 -15.705 -25.476 2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.331 -25.191 2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.615 -26.884 2.411 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.522 -23.171 1.697 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.657 -21.848 1.096 1.00 0.00 C ATOM 1268 C LEU A 82 -14.645 -20.874 1.689 1.00 0.00 C ATOM 1269 O LEU A 82 -14.039 -21.149 2.725 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.076 -21.316 1.304 1.00 0.00 C ATOM 1271 CG LEU A 82 -18.193 -22.360 1.300 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -18.441 -22.881 2.707 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -19.469 -21.775 0.713 1.00 0.00 C ATOM 0 H LEU A 82 -15.621 -23.185 2.712 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.462 -21.939 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.107 -20.784 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.286 -20.585 0.523 1.00 0.00 H new ATOM 0 HG LEU A 82 -17.880 -23.196 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -19.239 -23.623 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -17.530 -23.340 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -18.732 -22.054 3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -20.253 -22.533 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -19.786 -20.921 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -19.284 -21.452 -0.311 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.468 -19.735 1.027 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.529 -18.720 1.490 1.00 0.00 C ATOM 1287 C GLU A 83 -14.081 -17.318 1.248 1.00 0.00 C ATOM 1288 O GLU A 83 -14.663 -17.041 0.199 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.182 -18.879 0.783 1.00 0.00 C ATOM 1290 CG GLU A 83 -12.288 -18.896 -0.733 1.00 0.00 C ATOM 1291 CD GLU A 83 -10.999 -19.332 -1.403 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -10.492 -20.421 -1.064 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -10.498 -18.582 -2.267 1.00 0.00 O ATOM 0 H GLU A 83 -14.962 -19.492 0.169 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.386 -18.856 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.525 -18.063 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.713 -19.805 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.093 -19.569 -1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.558 -17.901 -1.086 1.00 0.00 H new ATOM 1300 N PHE A 84 -13.893 -16.438 2.225 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.372 -15.065 2.120 1.00 0.00 C ATOM 1302 C PHE A 84 -13.254 -14.073 2.427 1.00 0.00 C ATOM 1303 O PHE A 84 -12.617 -14.146 3.477 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.547 -14.838 3.074 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.719 -15.737 2.807 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -16.704 -17.059 3.221 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -17.837 -15.260 2.142 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -17.781 -17.889 2.975 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -18.918 -16.085 1.893 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.890 -17.401 2.312 1.00 0.00 C ATOM 0 H PHE A 84 -13.412 -16.651 3.099 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.707 -14.901 1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.208 -14.992 4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -15.871 -13.800 2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -15.841 -17.445 3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -17.864 -14.231 1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -17.756 -18.918 3.301 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -19.783 -15.701 1.372 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.734 -18.047 2.121 1.00 0.00 H new ATOM 1320 N GLU A 85 -13.021 -13.148 1.501 1.00 0.00 N ATOM 1321 CA GLU A 85 -11.979 -12.143 1.672 1.00 0.00 C ATOM 1322 C GLU A 85 -12.582 -10.744 1.764 1.00 0.00 C ATOM 1323 O GLU A 85 -11.973 -9.829 2.320 1.00 0.00 O ATOM 1324 CB GLU A 85 -10.983 -12.206 0.511 1.00 0.00 C ATOM 1325 CG GLU A 85 -10.006 -11.043 0.484 1.00 0.00 C ATOM 1326 CD GLU A 85 -9.264 -10.873 1.796 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -8.947 -11.898 2.436 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -9.001 -9.715 2.183 1.00 0.00 O ATOM 0 H GLU A 85 -13.539 -13.074 0.626 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.454 -12.356 2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.423 -13.139 0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.534 -12.228 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.285 -11.197 -0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.547 -10.125 0.255 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.781 -10.586 1.214 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.467 -9.299 1.234 1.00 0.00 C ATOM 1337 C ASP A 86 -15.979 -9.491 1.314 1.00 0.00 C ATOM 1338 O ASP A 86 -16.663 -9.540 0.291 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.109 -8.487 -0.011 1.00 0.00 C ATOM 1340 CG ASP A 86 -12.622 -8.211 -0.115 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -12.070 -7.579 0.810 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -12.009 -8.627 -1.121 1.00 0.00 O ATOM 0 H ASP A 86 -14.298 -11.332 0.749 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.140 -8.754 2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.438 -9.026 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.651 -7.541 0.008 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.492 -9.600 2.535 1.00 0.00 N ATOM 1348 CA ILE A 87 -17.922 -9.786 2.747 1.00 0.00 C ATOM 1349 C ILE A 87 -18.731 -8.736 1.994 1.00 0.00 C ATOM 1350 O ILE A 87 -18.249 -7.646 1.689 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.282 -9.720 4.243 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -17.593 -8.524 4.903 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -17.890 -11.014 4.940 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -18.062 -8.261 6.317 1.00 0.00 C ATOM 0 H ILE A 87 -15.939 -9.563 3.391 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.172 -10.776 2.365 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.360 -9.592 4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -16.516 -8.695 4.912 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -17.770 -7.634 4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.151 -10.952 5.996 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.422 -11.849 4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -16.816 -11.170 4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -17.531 -7.399 6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -19.133 -8.059 6.313 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -17.860 -9.135 6.936 1.00 0.00 H new ATOM 1366 N PRO A 88 -19.994 -9.070 1.687 1.00 0.00 N ATOM 1367 CA PRO A 88 -20.898 -8.169 0.968 1.00 0.00 C ATOM 1368 C PRO A 88 -21.317 -6.971 1.814 1.00 0.00 C ATOM 1369 O PRO A 88 -20.776 -6.744 2.896 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.108 -9.054 0.658 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.086 -10.108 1.710 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.635 -10.354 2.019 1.00 0.00 C ATOM 0 HA PRO A 88 -20.428 -7.741 0.083 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -23.035 -8.482 0.690 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -22.036 -9.488 -0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.625 -9.783 2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.570 -11.019 1.360 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.486 -10.619 3.066 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.230 -11.172 1.423 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.283 -6.209 1.314 1.00 0.00 N ATOM 1381 CA ASP A 89 -22.776 -5.035 2.025 1.00 0.00 C ATOM 1382 C ASP A 89 -24.178 -5.280 2.572 1.00 0.00 C ATOM 1383 O ASP A 89 -24.625 -4.594 3.492 1.00 0.00 O ATOM 1384 CB ASP A 89 -22.781 -3.817 1.100 1.00 0.00 C ATOM 1385 CG ASP A 89 -21.383 -3.362 0.732 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -20.414 -3.889 1.319 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -21.256 -2.481 -0.143 1.00 0.00 O ATOM 0 H ASP A 89 -22.740 -6.383 0.419 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.107 -4.841 2.864 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -23.332 -4.057 0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -23.310 -2.998 1.586 1.00 0.00 H new ATOM 1392 N SER A 90 -24.868 -6.261 2.000 1.00 0.00 N ATOM 1393 CA SER A 90 -26.222 -6.594 2.428 1.00 0.00 C ATOM 1394 C SER A 90 -26.206 -7.310 3.775 1.00 0.00 C ATOM 1395 O SER A 90 -27.149 -7.201 4.560 1.00 0.00 O ATOM 1396 CB SER A 90 -26.910 -7.471 1.379 1.00 0.00 C ATOM 1397 OG SER A 90 -26.451 -8.809 1.454 1.00 0.00 O ATOM 0 H SER A 90 -24.512 -6.839 1.239 1.00 0.00 H new ATOM 0 HA SER A 90 -26.781 -5.665 2.537 1.00 0.00 H new ATOM 0 HB2 SER A 90 -27.989 -7.444 1.529 1.00 0.00 H new ATOM 0 HB3 SER A 90 -26.717 -7.072 0.383 1.00 0.00 H new ATOM 0 HG SER A 90 -26.906 -9.350 0.775 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.129 -8.042 4.035 1.00 0.00 N ATOM 1404 CA LEU A 91 -24.989 -8.777 5.288 1.00 0.00 C ATOM 1405 C LEU A 91 -24.688 -7.830 6.444 1.00 0.00 C ATOM 1406 O LEU A 91 -25.426 -7.781 7.429 1.00 0.00 O ATOM 1407 CB LEU A 91 -23.878 -9.822 5.167 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.169 -11.009 4.248 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -22.969 -11.941 4.183 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.405 -11.760 4.723 1.00 0.00 C ATOM 0 H LEU A 91 -24.340 -8.143 3.396 1.00 0.00 H new ATOM 0 HA LEU A 91 -25.933 -9.281 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -22.976 -9.324 4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -23.657 -10.205 6.163 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.362 -10.629 3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.195 -12.780 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -22.107 -11.398 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -22.744 -12.315 5.182 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.598 -12.602 4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.240 -12.128 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.264 -11.089 4.716 1.00 0.00 H new