USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=24 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 60 HIS :FLIP no HD1:sc= -2.14 F(o=-3.6,f=-2.2) USER MOD Set 1.2: A 61 HIS :FLIP no HD1:sc= -0.0283 F(o=-3.5,f=-2.2) USER MOD Set 2.1: A 16 CYS SG : rot 166:sc= -0.0577 USER MOD Set 2.2: A 19 CYS SG : rot -70:sc= 0.954 USER MOD Set 2.3: A 21 THR OG1 : rot 104:sc= 1.42 USER MOD Set 2.4: A 41 CYS SG : rot 171:sc= 0.146 USER MOD Set 2.5: A 43 HIS : no HD1:sc= 0 X(o=-0.3,f=-0.41) USER MOD Set 2.6: A 44 CYS SG : rot -66:sc= -2.76! USER MOD Set 3.1: A 11 MET CE :methyl -164:sc= -0.0455 (180deg=-0.371) USER MOD Set 3.2: A 26 THR OG1 : rot 180:sc= -0.675 USER MOD Single : A 9 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0277) USER MOD Single : A 10 MET CE :methyl 145:sc= -1.86 (180deg=-4.88!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.128 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= -0.15 X(o=-0.15,f=-0.16) USER MOD Single : A 23 SER OG : rot 100:sc= -0.833 USER MOD Single : A 24 SER OG : rot 180:sc= 0.016 USER MOD Single : A 25 HIS : no HD1:sc= -0.725 X(o=-0.73,f=-0.58) USER MOD Single : A 27 MET CE :methyl -149:sc= -2.08 (180deg=-6.07!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.234 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.486 X(o=-0.49,f=-0.00081) 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 -130:sc= -0.76 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.028) USER MOD Single : A 48 HIS : no HE2:sc= -2.97 X(o=-3,f=-3.3) USER MOD Single : A 53 HIS : no HD1:sc= -0.0319 X(o=-0.032,f=-0.011) USER MOD Single : A 55 LYS NZ :NH3+ -128:sc= -0.0084 (180deg=-0.97) USER MOD Single : A 58 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.45) USER MOD Single : A 63 THR OG1 : rot 170:sc= -1.03 USER MOD Single : A 66 GLN : amide:sc= -0.416 K(o=-0.42,f=-2.4!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00371 USER MOD ----------------------------------------------------------------- ATOM 117 N LYS A 9 -2.487 -20.090 -2.862 1.00 0.00 N ATOM 118 CA LYS A 9 -3.341 -20.885 -1.987 1.00 0.00 C ATOM 119 C LYS A 9 -2.538 -21.471 -0.830 1.00 0.00 C ATOM 120 O LYS A 9 -1.344 -21.204 -0.692 1.00 0.00 O ATOM 121 CB LYS A 9 -4.010 -22.011 -2.778 1.00 0.00 C ATOM 122 CG LYS A 9 -4.698 -21.537 -4.047 1.00 0.00 C ATOM 123 CD LYS A 9 -3.762 -21.588 -5.242 1.00 0.00 C ATOM 124 CE LYS A 9 -3.828 -22.935 -5.945 1.00 0.00 C ATOM 125 NZ LYS A 9 -2.625 -23.767 -5.665 1.00 0.00 N ATOM 0 HA LYS A 9 -4.110 -20.230 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.259 -22.757 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.743 -22.506 -2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.572 -22.159 -4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.057 -20.517 -3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.024 -20.797 -5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.740 -21.398 -4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.722 -23.469 -5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.920 -22.779 -7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.660 -24.632 -6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.768 -23.228 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.607 -24.022 -4.657 1.00 0.00 H new ATOM 139 N MET A 10 -3.200 -22.272 -0.001 1.00 0.00 N ATOM 140 CA MET A 10 -2.546 -22.897 1.143 1.00 0.00 C ATOM 141 C MET A 10 -3.345 -24.100 1.635 1.00 0.00 C ATOM 142 O MET A 10 -4.576 -24.079 1.641 1.00 0.00 O ATOM 143 CB MET A 10 -2.376 -21.884 2.277 1.00 0.00 C ATOM 144 CG MET A 10 -3.685 -21.267 2.742 1.00 0.00 C ATOM 145 SD MET A 10 -3.629 -20.735 4.464 1.00 0.00 S ATOM 146 CE MET A 10 -4.372 -22.146 5.279 1.00 0.00 C ATOM 0 H MET A 10 -4.188 -22.503 -0.100 1.00 0.00 H new ATOM 0 HA MET A 10 -1.562 -23.242 0.824 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.895 -22.375 3.123 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.707 -21.090 1.946 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.924 -20.412 2.109 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.489 -21.992 2.616 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.897 -22.298 6.248 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.437 -21.964 5.422 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.235 -23.035 4.664 1.00 0.00 H new ATOM 156 N MET A 11 -2.637 -25.146 2.047 1.00 0.00 N ATOM 157 CA MET A 11 -3.282 -26.357 2.542 1.00 0.00 C ATOM 158 C MET A 11 -3.036 -26.532 4.037 1.00 0.00 C ATOM 159 O MET A 11 -1.919 -26.340 4.518 1.00 0.00 O ATOM 160 CB MET A 11 -2.767 -27.582 1.782 1.00 0.00 C ATOM 161 CG MET A 11 -3.803 -28.683 1.630 1.00 0.00 C ATOM 162 SD MET A 11 -3.123 -30.179 0.889 1.00 0.00 S ATOM 163 CE MET A 11 -2.652 -29.573 -0.729 1.00 0.00 C ATOM 0 H MET A 11 -1.618 -25.180 2.048 1.00 0.00 H new ATOM 0 HA MET A 11 -4.355 -26.260 2.377 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.432 -27.271 0.793 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.897 -27.983 2.302 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.218 -28.923 2.609 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.626 -28.319 1.015 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.484 -30.416 -1.399 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.449 -28.946 -1.129 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.736 -28.987 -0.646 1.00 0.00 H new ATOM 173 N ILE A 12 -4.086 -26.895 4.766 1.00 0.00 N ATOM 174 CA ILE A 12 -3.983 -27.095 6.206 1.00 0.00 C ATOM 175 C ILE A 12 -4.884 -28.236 6.668 1.00 0.00 C ATOM 176 O ILE A 12 -6.086 -28.235 6.407 1.00 0.00 O ATOM 177 CB ILE A 12 -4.355 -25.817 6.980 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.629 -25.198 6.404 1.00 0.00 C ATOM 179 CG2 ILE A 12 -3.207 -24.819 6.936 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.430 -24.409 7.417 1.00 0.00 C ATOM 0 H ILE A 12 -5.017 -27.057 4.383 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.944 -27.347 6.416 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.542 -26.081 8.021 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.362 -24.543 5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.256 -25.991 5.995 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.485 -23.921 7.487 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.321 -25.264 7.389 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.992 -24.557 5.900 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.319 -23.999 6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.728 -25.064 8.235 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.820 -23.594 7.808 1.00 0.00 H new ATOM 192 N ALA A 13 -4.294 -29.206 7.358 1.00 0.00 N ATOM 193 CA ALA A 13 -5.043 -30.351 7.860 1.00 0.00 C ATOM 194 C ALA A 13 -5.373 -30.185 9.340 1.00 0.00 C ATOM 195 O ALA A 13 -4.494 -29.902 10.154 1.00 0.00 O ATOM 196 CB ALA A 13 -4.260 -31.635 7.634 1.00 0.00 C ATOM 0 H ALA A 13 -3.299 -29.222 7.582 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.982 -30.409 7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.832 -32.482 8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.080 -31.768 6.567 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.306 -31.577 8.159 1.00 0.00 H new ATOM 202 N PHE A 14 -6.645 -30.361 9.681 1.00 0.00 N ATOM 203 CA PHE A 14 -7.092 -30.229 11.063 1.00 0.00 C ATOM 204 C PHE A 14 -7.806 -31.495 11.528 1.00 0.00 C ATOM 205 O PHE A 14 -8.608 -32.074 10.795 1.00 0.00 O ATOM 206 CB PHE A 14 -8.022 -29.023 11.207 1.00 0.00 C ATOM 207 CG PHE A 14 -9.479 -29.388 11.224 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.189 -29.515 10.041 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.139 -29.605 12.424 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.530 -29.852 10.053 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.479 -29.942 12.442 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.175 -30.065 11.255 1.00 0.00 C ATOM 0 H PHE A 14 -7.385 -30.595 9.019 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.213 -30.079 11.690 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.778 -28.494 12.128 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.838 -28.332 10.384 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.689 -29.349 9.098 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.600 -29.510 13.355 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.072 -29.948 9.124 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.982 -30.109 13.383 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.223 -30.327 11.267 1.00 0.00 H new ATOM 222 N THR A 15 -7.507 -31.920 12.751 1.00 0.00 N ATOM 223 CA THR A 15 -8.117 -33.118 13.314 1.00 0.00 C ATOM 224 C THR A 15 -9.484 -32.809 13.913 1.00 0.00 C ATOM 225 O THR A 15 -9.586 -32.119 14.929 1.00 0.00 O ATOM 226 CB THR A 15 -7.224 -33.747 14.400 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.865 -33.793 13.950 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.698 -35.151 14.745 1.00 0.00 C ATOM 0 H THR A 15 -6.846 -31.452 13.371 1.00 0.00 H new ATOM 0 HA THR A 15 -8.234 -33.827 12.495 1.00 0.00 H new ATOM 0 HB THR A 15 -7.289 -33.129 15.296 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.303 -34.193 14.646 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.052 -35.574 15.514 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.722 -35.109 15.115 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.660 -35.777 13.854 1.00 0.00 H new ATOM 236 N CYS A 16 -10.533 -33.323 13.280 1.00 0.00 N ATOM 237 CA CYS A 16 -11.895 -33.101 13.751 1.00 0.00 C ATOM 238 C CYS A 16 -12.133 -33.810 15.081 1.00 0.00 C ATOM 239 O CYS A 16 -12.194 -35.038 15.140 1.00 0.00 O ATOM 240 CB CYS A 16 -12.903 -33.591 12.711 1.00 0.00 C ATOM 241 SG CYS A 16 -14.601 -33.049 13.016 1.00 0.00 S ATOM 0 H CYS A 16 -10.466 -33.896 12.439 1.00 0.00 H new ATOM 0 HA CYS A 16 -12.031 -32.030 13.901 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.592 -33.241 11.727 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.880 -34.680 12.684 1.00 0.00 H new ATOM 0 HG CYS A 16 -15.318 -33.247 11.950 1.00 0.00 H new ATOM 246 N LYS A 17 -12.265 -33.028 16.147 1.00 0.00 N ATOM 247 CA LYS A 17 -12.495 -33.579 17.477 1.00 0.00 C ATOM 248 C LYS A 17 -13.905 -34.150 17.592 1.00 0.00 C ATOM 249 O LYS A 17 -14.233 -34.831 18.564 1.00 0.00 O ATOM 250 CB LYS A 17 -12.281 -32.502 18.542 1.00 0.00 C ATOM 251 CG LYS A 17 -10.832 -32.070 18.687 1.00 0.00 C ATOM 252 CD LYS A 17 -10.706 -30.818 19.539 1.00 0.00 C ATOM 253 CE LYS A 17 -11.043 -31.098 20.995 1.00 0.00 C ATOM 254 NZ LYS A 17 -10.943 -29.871 21.833 1.00 0.00 N ATOM 0 H LYS A 17 -12.217 -32.010 16.116 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.780 -34.386 17.637 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.888 -31.631 18.293 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.638 -32.876 19.502 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.254 -32.877 19.137 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.406 -31.885 17.701 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.690 -30.429 19.468 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.371 -30.045 19.153 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.053 -31.503 21.063 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.367 -31.860 21.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.180 -30.103 22.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.973 -29.499 21.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.606 -29.153 21.478 1.00 0.00 H new ATOM 268 N LYS A 18 -14.736 -33.869 16.594 1.00 0.00 N ATOM 269 CA LYS A 18 -16.110 -34.356 16.581 1.00 0.00 C ATOM 270 C LYS A 18 -16.152 -35.861 16.335 1.00 0.00 C ATOM 271 O LYS A 18 -16.687 -36.617 17.146 1.00 0.00 O ATOM 272 CB LYS A 18 -16.921 -33.629 15.505 1.00 0.00 C ATOM 273 CG LYS A 18 -18.399 -33.511 15.834 1.00 0.00 C ATOM 274 CD LYS A 18 -18.698 -32.238 16.608 1.00 0.00 C ATOM 275 CE LYS A 18 -18.504 -31.001 15.743 1.00 0.00 C ATOM 276 NZ LYS A 18 -19.070 -29.782 16.384 1.00 0.00 N ATOM 0 H LYS A 18 -14.481 -33.306 15.783 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.550 -34.153 17.557 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.508 -32.630 15.363 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.809 -34.158 14.558 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.980 -33.522 14.912 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.713 -34.376 16.419 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.723 -32.268 16.977 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.046 -32.179 17.480 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.441 -30.852 15.555 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.980 -31.157 14.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.918 -28.961 15.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.090 -29.914 16.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.598 -29.619 17.296 1.00 0.00 H new ATOM 290 N CYS A 19 -15.584 -36.287 15.212 1.00 0.00 N ATOM 291 CA CYS A 19 -15.556 -37.703 14.860 1.00 0.00 C ATOM 292 C CYS A 19 -14.121 -38.206 14.747 1.00 0.00 C ATOM 293 O CYS A 19 -13.855 -39.209 14.086 1.00 0.00 O ATOM 294 CB CYS A 19 -16.297 -37.936 13.542 1.00 0.00 C ATOM 295 SG CYS A 19 -15.826 -36.797 12.219 1.00 0.00 S ATOM 0 H CYS A 19 -15.137 -35.674 14.530 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.055 -38.260 15.653 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.113 -38.958 13.210 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.369 -37.847 13.719 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.269 -35.606 12.494 1.00 0.00 H new ATOM 300 N ASN A 20 -13.199 -37.502 15.396 1.00 0.00 N ATOM 301 CA ASN A 20 -11.790 -37.877 15.366 1.00 0.00 C ATOM 302 C ASN A 20 -11.327 -38.139 13.936 1.00 0.00 C ATOM 303 O ASN A 20 -10.500 -39.017 13.690 1.00 0.00 O ATOM 304 CB ASN A 20 -11.554 -39.120 16.226 1.00 0.00 C ATOM 305 CG ASN A 20 -10.108 -39.253 16.664 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.291 -39.858 15.970 1.00 0.00 O ATOM 307 ND2 ASN A 20 -9.785 -38.687 17.821 1.00 0.00 N ATOM 0 H ASN A 20 -13.402 -36.669 15.949 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.210 -37.047 15.770 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.195 -39.077 17.106 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.844 -40.008 15.664 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.827 -38.744 18.167 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.495 -38.195 18.364 1.00 0.00 H new ATOM 314 N THR A 21 -11.865 -37.369 12.995 1.00 0.00 N ATOM 315 CA THR A 21 -11.508 -37.517 11.590 1.00 0.00 C ATOM 316 C THR A 21 -10.659 -36.345 11.112 1.00 0.00 C ATOM 317 O THR A 21 -11.101 -35.196 11.135 1.00 0.00 O ATOM 318 CB THR A 21 -12.761 -37.625 10.700 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.608 -38.680 11.172 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.376 -37.888 9.252 1.00 0.00 C ATOM 0 H THR A 21 -12.550 -36.636 13.181 1.00 0.00 H new ATOM 0 HA THR A 21 -10.931 -38.438 11.506 1.00 0.00 H new ATOM 0 HB THR A 21 -13.298 -36.678 10.751 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.371 -38.297 11.653 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.277 -37.960 8.643 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.756 -37.070 8.886 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.819 -38.823 9.188 1.00 0.00 H new ATOM 328 N ARG A 22 -9.438 -36.643 10.679 1.00 0.00 N ATOM 329 CA ARG A 22 -8.527 -35.612 10.195 1.00 0.00 C ATOM 330 C ARG A 22 -8.587 -35.503 8.675 1.00 0.00 C ATOM 331 O ARG A 22 -8.464 -36.502 7.965 1.00 0.00 O ATOM 332 CB ARG A 22 -7.096 -35.919 10.639 1.00 0.00 C ATOM 333 CG ARG A 22 -6.183 -34.703 10.633 1.00 0.00 C ATOM 334 CD ARG A 22 -4.726 -35.101 10.455 1.00 0.00 C ATOM 335 NE ARG A 22 -3.815 -34.011 10.791 1.00 0.00 N ATOM 336 CZ ARG A 22 -2.492 -34.127 10.778 1.00 0.00 C ATOM 337 NH1 ARG A 22 -1.928 -35.280 10.445 1.00 0.00 N ATOM 338 NH2 ARG A 22 -1.730 -33.089 11.097 1.00 0.00 N ATOM 0 H ARG A 22 -9.057 -37.589 10.653 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.837 -34.658 10.622 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.119 -36.341 11.644 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.676 -36.681 9.983 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.478 -34.029 9.829 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.300 -34.154 11.568 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.507 -35.964 11.084 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.558 -35.408 9.423 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.217 -33.110 11.050 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.510 -36.080 10.198 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.912 -35.367 10.436 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.160 -32.200 11.353 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.714 -33.180 11.087 1.00 0.00 H new ATOM 352 N SER A 23 -8.778 -34.284 8.181 1.00 0.00 N ATOM 353 CA SER A 23 -8.859 -34.045 6.745 1.00 0.00 C ATOM 354 C SER A 23 -8.142 -32.752 6.368 1.00 0.00 C ATOM 355 O SER A 23 -8.042 -31.827 7.174 1.00 0.00 O ATOM 356 CB SER A 23 -10.321 -33.979 6.299 1.00 0.00 C ATOM 357 OG SER A 23 -10.952 -35.241 6.432 1.00 0.00 O ATOM 0 H SER A 23 -8.880 -33.446 8.754 1.00 0.00 H new ATOM 0 HA SER A 23 -8.368 -34.874 6.236 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.853 -33.238 6.895 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.373 -33.650 5.261 1.00 0.00 H new ATOM 0 HG SER A 23 -11.482 -35.256 7.256 1.00 0.00 H new ATOM 363 N SER A 24 -7.645 -32.696 5.137 1.00 0.00 N ATOM 364 CA SER A 24 -6.933 -31.518 4.653 1.00 0.00 C ATOM 365 C SER A 24 -7.810 -30.705 3.706 1.00 0.00 C ATOM 366 O SER A 24 -8.608 -31.259 2.949 1.00 0.00 O ATOM 367 CB SER A 24 -5.643 -31.932 3.942 1.00 0.00 C ATOM 368 OG SER A 24 -5.676 -33.302 3.582 1.00 0.00 O ATOM 0 H SER A 24 -7.722 -33.452 4.456 1.00 0.00 H new ATOM 0 HA SER A 24 -6.682 -30.896 5.513 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.504 -31.322 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.789 -31.744 4.593 1.00 0.00 H new ATOM 0 HG SER A 24 -4.841 -33.541 3.128 1.00 0.00 H new ATOM 374 N HIS A 25 -7.657 -29.385 3.754 1.00 0.00 N ATOM 375 CA HIS A 25 -8.434 -28.493 2.901 1.00 0.00 C ATOM 376 C HIS A 25 -7.573 -27.340 2.394 1.00 0.00 C ATOM 377 O HIS A 25 -6.858 -26.699 3.164 1.00 0.00 O ATOM 378 CB HIS A 25 -9.641 -27.947 3.663 1.00 0.00 C ATOM 379 CG HIS A 25 -10.228 -28.924 4.635 1.00 0.00 C ATOM 380 ND1 HIS A 25 -11.322 -29.711 4.342 1.00 0.00 N ATOM 381 CD2 HIS A 25 -9.866 -29.241 5.900 1.00 0.00 C ATOM 382 CE1 HIS A 25 -11.609 -30.468 5.386 1.00 0.00 C ATOM 383 NE2 HIS A 25 -10.740 -30.203 6.344 1.00 0.00 N ATOM 0 H HIS A 25 -7.002 -28.910 4.375 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.785 -29.066 2.043 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.344 -27.046 4.200 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.409 -27.653 2.948 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.043 -28.817 6.456 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.417 -31.182 5.446 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.721 -30.642 7.265 1.00 0.00 H new ATOM 391 N THR A 26 -7.646 -27.082 1.092 1.00 0.00 N ATOM 392 CA THR A 26 -6.872 -26.008 0.481 1.00 0.00 C ATOM 393 C THR A 26 -7.731 -24.767 0.263 1.00 0.00 C ATOM 394 O THR A 26 -8.746 -24.817 -0.431 1.00 0.00 O ATOM 395 CB THR A 26 -6.271 -26.445 -0.868 1.00 0.00 C ATOM 396 OG1 THR A 26 -5.915 -27.831 -0.819 1.00 0.00 O ATOM 397 CG2 THR A 26 -5.044 -25.613 -1.208 1.00 0.00 C ATOM 0 H THR A 26 -8.233 -27.602 0.440 1.00 0.00 H new ATOM 0 HA THR A 26 -6.062 -25.770 1.171 1.00 0.00 H new ATOM 0 HB THR A 26 -7.022 -26.290 -1.643 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.535 -28.102 -1.681 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.637 -25.940 -2.165 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.324 -24.562 -1.273 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.291 -25.741 -0.430 1.00 0.00 H new ATOM 405 N MET A 27 -7.317 -23.654 0.860 1.00 0.00 N ATOM 406 CA MET A 27 -8.049 -22.400 0.729 1.00 0.00 C ATOM 407 C MET A 27 -7.096 -21.242 0.445 1.00 0.00 C ATOM 408 O MET A 27 -5.895 -21.339 0.693 1.00 0.00 O ATOM 409 CB MET A 27 -8.849 -22.116 2.002 1.00 0.00 C ATOM 410 CG MET A 27 -7.979 -21.840 3.218 1.00 0.00 C ATOM 411 SD MET A 27 -7.452 -23.349 4.051 1.00 0.00 S ATOM 412 CE MET A 27 -9.032 -24.040 4.533 1.00 0.00 C ATOM 0 H MET A 27 -6.479 -23.595 1.439 1.00 0.00 H new ATOM 0 HA MET A 27 -8.738 -22.496 -0.110 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.499 -21.259 1.829 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.495 -22.968 2.213 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.100 -21.274 2.910 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.531 -21.215 3.921 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.915 -24.603 5.459 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.750 -23.234 4.687 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.394 -24.703 3.748 1.00 0.00 H new ATOM 422 N SER A 28 -7.641 -20.149 -0.079 1.00 0.00 N ATOM 423 CA SER A 28 -6.839 -18.974 -0.401 1.00 0.00 C ATOM 424 C SER A 28 -6.127 -18.445 0.840 1.00 0.00 C ATOM 425 O SER A 28 -6.755 -18.184 1.867 1.00 0.00 O ATOM 426 CB SER A 28 -7.720 -17.878 -1.004 1.00 0.00 C ATOM 427 OG SER A 28 -7.125 -16.602 -0.846 1.00 0.00 O ATOM 0 H SER A 28 -8.634 -20.052 -0.290 1.00 0.00 H new ATOM 0 HA SER A 28 -6.086 -19.268 -1.132 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.882 -18.079 -2.063 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.699 -17.888 -0.524 1.00 0.00 H new ATOM 0 HG SER A 28 -7.706 -15.919 -1.241 1.00 0.00 H new ATOM 433 N LYS A 29 -4.811 -18.290 0.739 1.00 0.00 N ATOM 434 CA LYS A 29 -4.012 -17.791 1.851 1.00 0.00 C ATOM 435 C LYS A 29 -4.457 -16.389 2.256 1.00 0.00 C ATOM 436 O LYS A 29 -4.438 -16.039 3.436 1.00 0.00 O ATOM 437 CB LYS A 29 -2.528 -17.777 1.474 1.00 0.00 C ATOM 438 CG LYS A 29 -1.601 -18.073 2.641 1.00 0.00 C ATOM 439 CD LYS A 29 -1.041 -16.797 3.245 1.00 0.00 C ATOM 440 CE LYS A 29 -0.037 -16.134 2.314 1.00 0.00 C ATOM 441 NZ LYS A 29 -0.025 -14.653 2.475 1.00 0.00 N ATOM 0 H LYS A 29 -4.275 -18.503 -0.102 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.159 -18.459 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.355 -18.512 0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.276 -16.801 1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.143 -18.631 3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.781 -18.707 2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.856 -16.105 3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.561 -17.024 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.959 -16.529 2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.279 -16.385 1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.672 -14.239 1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.969 -14.273 2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.230 -14.412 3.454 1.00 0.00 H new ATOM 455 N GLN A 30 -4.858 -15.593 1.270 1.00 0.00 N ATOM 456 CA GLN A 30 -5.308 -14.230 1.525 1.00 0.00 C ATOM 457 C GLN A 30 -6.645 -14.227 2.260 1.00 0.00 C ATOM 458 O GLN A 30 -6.863 -13.424 3.167 1.00 0.00 O ATOM 459 CB GLN A 30 -5.434 -13.457 0.211 1.00 0.00 C ATOM 460 CG GLN A 30 -5.216 -11.960 0.362 1.00 0.00 C ATOM 461 CD GLN A 30 -6.514 -11.176 0.336 1.00 0.00 C ATOM 462 OE1 GLN A 30 -7.199 -11.122 -0.686 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.859 -10.564 1.462 1.00 0.00 N ATOM 0 H GLN A 30 -4.880 -15.868 0.288 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.565 -13.741 2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.711 -13.851 -0.503 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.424 -13.631 -0.210 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.697 -11.765 1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.567 -11.608 -0.440 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.261 -10.636 2.285 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.722 -10.022 1.504 1.00 0.00 H new ATOM 472 N ALA A 31 -7.535 -15.129 1.862 1.00 0.00 N ATOM 473 CA ALA A 31 -8.850 -15.231 2.484 1.00 0.00 C ATOM 474 C ALA A 31 -8.749 -15.821 3.886 1.00 0.00 C ATOM 475 O ALA A 31 -9.540 -15.487 4.769 1.00 0.00 O ATOM 476 CB ALA A 31 -9.778 -16.073 1.621 1.00 0.00 C ATOM 0 H ALA A 31 -7.370 -15.800 1.112 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.263 -14.226 2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.756 -16.141 2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.883 -15.609 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.360 -17.073 1.506 1.00 0.00 H new ATOM 482 N TYR A 32 -7.772 -16.699 4.085 1.00 0.00 N ATOM 483 CA TYR A 32 -7.570 -17.338 5.380 1.00 0.00 C ATOM 484 C TYR A 32 -6.851 -16.399 6.344 1.00 0.00 C ATOM 485 O TYR A 32 -7.266 -16.232 7.490 1.00 0.00 O ATOM 486 CB TYR A 32 -6.769 -18.630 5.216 1.00 0.00 C ATOM 487 CG TYR A 32 -6.337 -19.246 6.527 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.143 -18.875 7.132 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.125 -20.199 7.162 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.745 -19.436 8.330 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.735 -20.764 8.361 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.544 -20.380 8.941 1.00 0.00 C ATOM 493 OH TYR A 32 -5.151 -20.940 10.135 1.00 0.00 O ATOM 0 H TYR A 32 -7.107 -16.984 3.366 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.549 -17.576 5.796 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.371 -19.353 4.666 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.885 -18.425 4.612 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.515 -18.135 6.658 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.058 -20.503 6.710 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.813 -19.137 8.786 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.360 -21.503 8.842 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.826 -21.585 10.432 1.00 0.00 H new ATOM 503 N GLU A 33 -5.770 -15.788 5.869 1.00 0.00 N ATOM 504 CA GLU A 33 -4.992 -14.867 6.689 1.00 0.00 C ATOM 505 C GLU A 33 -5.759 -13.569 6.925 1.00 0.00 C ATOM 506 O GLU A 33 -5.707 -12.991 8.011 1.00 0.00 O ATOM 507 CB GLU A 33 -3.649 -14.564 6.021 1.00 0.00 C ATOM 508 CG GLU A 33 -2.623 -15.672 6.188 1.00 0.00 C ATOM 509 CD GLU A 33 -1.197 -15.164 6.101 1.00 0.00 C ATOM 510 OE1 GLU A 33 -1.007 -13.999 5.692 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.271 -15.930 6.440 1.00 0.00 O ATOM 0 H GLU A 33 -5.414 -15.914 4.922 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.811 -15.343 7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.813 -14.389 4.958 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.246 -13.641 6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.773 -16.159 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.783 -16.429 5.420 1.00 0.00 H new ATOM 518 N LYS A 34 -6.471 -13.114 5.899 1.00 0.00 N ATOM 519 CA LYS A 34 -7.250 -11.886 5.992 1.00 0.00 C ATOM 520 C LYS A 34 -8.672 -12.102 5.484 1.00 0.00 C ATOM 521 O LYS A 34 -9.053 -11.582 4.436 1.00 0.00 O ATOM 522 CB LYS A 34 -6.576 -10.768 5.193 1.00 0.00 C ATOM 523 CG LYS A 34 -5.140 -10.503 5.611 1.00 0.00 C ATOM 524 CD LYS A 34 -5.066 -9.481 6.733 1.00 0.00 C ATOM 525 CE LYS A 34 -5.053 -10.152 8.098 1.00 0.00 C ATOM 526 NZ LYS A 34 -4.551 -9.238 9.161 1.00 0.00 N ATOM 0 H LYS A 34 -6.524 -13.579 4.993 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.299 -11.596 7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.596 -11.027 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.154 -9.851 5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.676 -11.435 5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.570 -10.145 4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.168 -8.875 6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.918 -8.804 6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.061 -10.483 8.350 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.426 -11.043 8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.558 -9.733 10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.580 -8.942 8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.164 -8.400 9.216 1.00 0.00 H new ATOM 540 N GLY A 35 -9.453 -12.874 6.234 1.00 0.00 N ATOM 541 CA GLY A 35 -10.824 -13.145 5.843 1.00 0.00 C ATOM 542 C GLY A 35 -11.397 -14.361 6.543 1.00 0.00 C ATOM 543 O GLY A 35 -10.735 -14.976 7.379 1.00 0.00 O ATOM 0 H GLY A 35 -9.161 -13.316 7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.441 -12.275 6.068 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.868 -13.296 4.764 1.00 0.00 H new ATOM 547 N THR A 36 -12.635 -14.709 6.203 1.00 0.00 N ATOM 548 CA THR A 36 -13.299 -15.857 6.807 1.00 0.00 C ATOM 549 C THR A 36 -13.157 -17.097 5.932 1.00 0.00 C ATOM 550 O THR A 36 -13.365 -17.041 4.720 1.00 0.00 O ATOM 551 CB THR A 36 -14.795 -15.579 7.046 1.00 0.00 C ATOM 552 OG1 THR A 36 -14.954 -14.376 7.805 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.450 -16.739 7.782 1.00 0.00 C ATOM 0 H THR A 36 -13.197 -14.212 5.512 1.00 0.00 H new ATOM 0 HA THR A 36 -12.813 -16.035 7.766 1.00 0.00 H new ATOM 0 HB THR A 36 -15.280 -15.464 6.077 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.555 -14.543 8.561 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.506 -16.520 7.940 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.352 -17.648 7.188 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.961 -16.881 8.746 1.00 0.00 H new ATOM 561 N VAL A 37 -12.802 -18.217 6.553 1.00 0.00 N ATOM 562 CA VAL A 37 -12.635 -19.472 5.831 1.00 0.00 C ATOM 563 C VAL A 37 -13.449 -20.590 6.473 1.00 0.00 C ATOM 564 O VAL A 37 -13.393 -20.795 7.686 1.00 0.00 O ATOM 565 CB VAL A 37 -11.155 -19.896 5.777 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.399 -19.068 4.750 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.515 -19.770 7.152 1.00 0.00 C ATOM 0 H VAL A 37 -12.624 -18.281 7.555 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.995 -19.302 4.816 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.105 -20.941 5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.355 -19.382 4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.844 -19.214 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.455 -18.014 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.470 -20.073 7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.575 -18.735 7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.042 -20.411 7.859 1.00 0.00 H new ATOM 577 N LEU A 38 -14.207 -21.309 5.653 1.00 0.00 N ATOM 578 CA LEU A 38 -15.033 -22.408 6.140 1.00 0.00 C ATOM 579 C LEU A 38 -14.660 -23.717 5.453 1.00 0.00 C ATOM 580 O LEU A 38 -14.516 -23.769 4.232 1.00 0.00 O ATOM 581 CB LEU A 38 -16.514 -22.100 5.907 1.00 0.00 C ATOM 582 CG LEU A 38 -17.424 -22.213 7.131 1.00 0.00 C ATOM 583 CD1 LEU A 38 -16.994 -21.230 8.208 1.00 0.00 C ATOM 584 CD2 LEU A 38 -18.875 -21.978 6.740 1.00 0.00 C ATOM 0 H LEU A 38 -14.267 -21.151 4.647 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.854 -22.518 7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.596 -21.088 5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -16.888 -22.775 5.137 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.336 -23.222 7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.653 -21.325 9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -15.969 -21.445 8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.052 -20.214 7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -19.508 -22.062 7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -18.980 -20.981 6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -19.179 -22.722 6.004 1.00 0.00 H new ATOM 596 N ILE A 39 -14.507 -24.773 6.246 1.00 0.00 N ATOM 597 CA ILE A 39 -14.154 -26.083 5.713 1.00 0.00 C ATOM 598 C ILE A 39 -15.087 -27.163 6.249 1.00 0.00 C ATOM 599 O ILE A 39 -15.477 -27.138 7.416 1.00 0.00 O ATOM 600 CB ILE A 39 -12.701 -26.458 6.058 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.455 -26.308 7.561 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.729 -25.594 5.269 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.457 -27.301 8.113 1.00 0.00 C ATOM 0 H ILE A 39 -14.622 -24.747 7.259 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.257 -26.022 4.630 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.536 -27.500 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.100 -25.298 7.763 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.401 -26.425 8.089 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.706 -25.871 5.524 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.891 -25.746 4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.893 -24.545 5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.333 -27.135 9.183 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.820 -28.315 7.942 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.498 -27.170 7.612 1.00 0.00 H new ATOM 615 N SER A 40 -15.439 -28.113 5.388 1.00 0.00 N ATOM 616 CA SER A 40 -16.328 -29.203 5.774 1.00 0.00 C ATOM 617 C SER A 40 -15.547 -30.499 5.967 1.00 0.00 C ATOM 618 O SER A 40 -14.664 -30.828 5.174 1.00 0.00 O ATOM 619 CB SER A 40 -17.415 -29.402 4.715 1.00 0.00 C ATOM 620 OG SER A 40 -17.170 -30.566 3.946 1.00 0.00 O ATOM 0 H SER A 40 -15.122 -28.150 4.419 1.00 0.00 H new ATOM 0 HA SER A 40 -16.797 -28.938 6.721 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.389 -29.480 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.453 -28.531 4.060 1.00 0.00 H new ATOM 0 HG SER A 40 -17.879 -30.672 3.278 1.00 0.00 H new ATOM 626 N CYS A 41 -15.878 -31.229 7.026 1.00 0.00 N ATOM 627 CA CYS A 41 -15.208 -32.490 7.325 1.00 0.00 C ATOM 628 C CYS A 41 -15.887 -33.651 6.607 1.00 0.00 C ATOM 629 O CYS A 41 -17.070 -33.929 6.805 1.00 0.00 O ATOM 630 CB CYS A 41 -15.199 -32.742 8.833 1.00 0.00 C ATOM 631 SG CYS A 41 -14.606 -34.383 9.304 1.00 0.00 S ATOM 0 H CYS A 41 -16.606 -30.970 7.692 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.180 -32.419 6.970 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.573 -31.990 9.312 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.210 -32.608 9.219 1.00 0.00 H new ATOM 0 HG CYS A 41 -14.456 -34.436 10.594 1.00 0.00 H new ATOM 636 N PRO A 42 -15.124 -34.346 5.750 1.00 0.00 N ATOM 637 CA PRO A 42 -15.632 -35.488 4.984 1.00 0.00 C ATOM 638 C PRO A 42 -15.915 -36.698 5.867 1.00 0.00 C ATOM 639 O PRO A 42 -15.237 -37.722 5.769 1.00 0.00 O ATOM 640 CB PRO A 42 -14.495 -35.793 4.006 1.00 0.00 C ATOM 641 CG PRO A 42 -13.269 -35.275 4.677 1.00 0.00 C ATOM 642 CD PRO A 42 -13.706 -34.070 5.464 1.00 0.00 C ATOM 0 HA PRO A 42 -16.581 -35.263 4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.417 -36.862 3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.657 -35.304 3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.833 -36.031 5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.507 -35.008 3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.126 -33.956 6.380 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.583 -33.150 4.892 1.00 0.00 H new ATOM 650 N HIS A 43 -16.919 -36.575 6.728 1.00 0.00 N ATOM 651 CA HIS A 43 -17.292 -37.661 7.628 1.00 0.00 C ATOM 652 C HIS A 43 -18.555 -37.310 8.409 1.00 0.00 C ATOM 653 O HIS A 43 -19.611 -37.909 8.203 1.00 0.00 O ATOM 654 CB HIS A 43 -16.148 -37.965 8.596 1.00 0.00 C ATOM 655 CG HIS A 43 -16.222 -39.334 9.199 1.00 0.00 C ATOM 656 ND1 HIS A 43 -15.826 -40.473 8.530 1.00 0.00 N ATOM 657 CD2 HIS A 43 -16.648 -39.743 10.417 1.00 0.00 C ATOM 658 CE1 HIS A 43 -16.007 -41.524 9.310 1.00 0.00 C ATOM 659 NE2 HIS A 43 -16.504 -41.108 10.461 1.00 0.00 N ATOM 0 H HIS A 43 -17.489 -35.735 6.822 1.00 0.00 H new ATOM 0 HA HIS A 43 -17.493 -38.547 7.025 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -15.200 -37.860 8.069 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -16.153 -37.224 9.395 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -17.030 -39.113 11.207 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.786 -42.549 9.051 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.742 -41.704 11.254 1.00 0.00 H new ATOM 667 N CYS A 44 -18.439 -36.337 9.306 1.00 0.00 N ATOM 668 CA CYS A 44 -19.571 -35.907 10.120 1.00 0.00 C ATOM 669 C CYS A 44 -20.498 -34.996 9.322 1.00 0.00 C ATOM 670 O CYS A 44 -21.588 -34.648 9.778 1.00 0.00 O ATOM 671 CB CYS A 44 -19.079 -35.184 11.374 1.00 0.00 C ATOM 672 SG CYS A 44 -18.016 -33.760 11.036 1.00 0.00 S ATOM 0 H CYS A 44 -17.572 -35.831 9.488 1.00 0.00 H new ATOM 0 HA CYS A 44 -20.131 -36.793 10.418 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.942 -34.851 11.951 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.533 -35.892 11.998 1.00 0.00 H new ATOM 0 HG CYS A 44 -16.905 -34.166 10.496 1.00 0.00 H new ATOM 677 N LYS A 45 -20.057 -34.610 8.130 1.00 0.00 N ATOM 678 CA LYS A 45 -20.846 -33.738 7.268 1.00 0.00 C ATOM 679 C LYS A 45 -21.214 -32.446 7.991 1.00 0.00 C ATOM 680 O LYS A 45 -22.317 -32.311 8.520 1.00 0.00 O ATOM 681 CB LYS A 45 -22.117 -34.456 6.807 1.00 0.00 C ATOM 682 CG LYS A 45 -21.891 -35.403 5.641 1.00 0.00 C ATOM 683 CD LYS A 45 -21.975 -34.676 4.309 1.00 0.00 C ATOM 684 CE LYS A 45 -22.232 -35.643 3.162 1.00 0.00 C ATOM 685 NZ LYS A 45 -23.651 -36.093 3.124 1.00 0.00 N ATOM 0 H LYS A 45 -19.157 -34.887 7.738 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.241 -33.487 6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.532 -35.017 7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.861 -33.712 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.913 -35.875 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.634 -36.200 5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -22.773 -33.935 4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.046 -34.135 4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.978 -35.162 2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.579 -36.510 3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.819 -36.640 2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.848 -36.690 3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.279 -35.264 3.138 1.00 0.00 H new ATOM 699 N VAL A 46 -20.283 -31.497 8.008 1.00 0.00 N ATOM 700 CA VAL A 46 -20.510 -30.215 8.663 1.00 0.00 C ATOM 701 C VAL A 46 -19.332 -29.272 8.449 1.00 0.00 C ATOM 702 O VAL A 46 -18.184 -29.708 8.351 1.00 0.00 O ATOM 703 CB VAL A 46 -20.744 -30.391 10.176 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.435 -30.698 10.887 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.400 -29.150 10.761 1.00 0.00 C ATOM 0 H VAL A 46 -19.364 -31.592 7.575 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.404 -29.784 8.212 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.417 -31.235 10.326 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.620 -30.819 11.954 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -19.010 -31.618 10.486 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.735 -29.877 10.731 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.558 -29.292 11.830 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.754 -28.287 10.601 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.359 -28.981 10.272 1.00 0.00 H new ATOM 715 N ARG A 47 -19.623 -27.977 8.378 1.00 0.00 N ATOM 716 CA ARG A 47 -18.587 -26.971 8.175 1.00 0.00 C ATOM 717 C ARG A 47 -18.122 -26.392 9.508 1.00 0.00 C ATOM 718 O ARG A 47 -18.900 -26.288 10.457 1.00 0.00 O ATOM 719 CB ARG A 47 -19.105 -25.850 7.272 1.00 0.00 C ATOM 720 CG ARG A 47 -19.172 -26.232 5.803 1.00 0.00 C ATOM 721 CD ARG A 47 -20.346 -27.156 5.520 1.00 0.00 C ATOM 722 NE ARG A 47 -21.185 -26.658 4.433 1.00 0.00 N ATOM 723 CZ ARG A 47 -22.017 -27.424 3.737 1.00 0.00 C ATOM 724 NH1 ARG A 47 -22.123 -28.716 4.014 1.00 0.00 N ATOM 725 NH2 ARG A 47 -22.748 -26.898 2.762 1.00 0.00 N ATOM 0 H ARG A 47 -20.567 -27.600 8.458 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.737 -27.453 7.692 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -20.099 -25.555 7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.460 -24.979 7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.262 -25.331 5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.243 -26.722 5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.973 -28.148 5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.948 -27.264 6.422 1.00 0.00 H new ATOM 0 HE ARG A 47 -21.129 -25.668 4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -21.565 -29.124 4.764 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -22.763 -29.302 3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.671 -25.904 2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.387 -27.488 2.228 1.00 0.00 H new ATOM 739 N HIS A 48 -16.848 -26.017 9.572 1.00 0.00 N ATOM 740 CA HIS A 48 -16.279 -25.449 10.789 1.00 0.00 C ATOM 741 C HIS A 48 -15.415 -24.233 10.468 1.00 0.00 C ATOM 742 O HIS A 48 -14.824 -24.145 9.391 1.00 0.00 O ATOM 743 CB HIS A 48 -15.449 -26.499 11.528 1.00 0.00 C ATOM 744 CG HIS A 48 -15.378 -27.815 10.817 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.309 -28.817 10.994 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.481 -28.291 9.923 1.00 0.00 C ATOM 747 CE1 HIS A 48 -15.986 -29.853 10.240 1.00 0.00 C ATOM 748 NE2 HIS A 48 -14.881 -29.559 9.580 1.00 0.00 N ATOM 0 H HIS A 48 -16.191 -26.096 8.796 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.101 -25.130 11.430 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.438 -26.117 11.670 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.874 -26.654 12.520 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -17.120 -28.766 11.610 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.612 -27.770 9.549 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.533 -30.782 10.175 1.00 0.00 H new ATOM 756 N LEU A 49 -15.346 -23.298 11.409 1.00 0.00 N ATOM 757 CA LEU A 49 -14.554 -22.086 11.226 1.00 0.00 C ATOM 758 C LEU A 49 -13.091 -22.333 11.581 1.00 0.00 C ATOM 759 O LEU A 49 -12.785 -22.945 12.605 1.00 0.00 O ATOM 760 CB LEU A 49 -15.114 -20.952 12.087 1.00 0.00 C ATOM 761 CG LEU A 49 -14.270 -19.679 12.153 1.00 0.00 C ATOM 762 CD1 LEU A 49 -14.371 -18.904 10.849 1.00 0.00 C ATOM 763 CD2 LEU A 49 -14.703 -18.812 13.326 1.00 0.00 C ATOM 0 H LEU A 49 -15.828 -23.355 12.306 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.611 -21.799 10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.102 -20.690 11.709 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.250 -21.326 13.102 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.229 -19.964 12.303 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.764 -18.001 10.914 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.011 -19.524 10.028 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.410 -18.630 10.668 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.091 -17.910 13.357 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.751 -18.536 13.207 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.578 -19.368 14.255 1.00 0.00 H new ATOM 775 N ILE A 50 -12.192 -21.852 10.729 1.00 0.00 N ATOM 776 CA ILE A 50 -10.761 -22.018 10.954 1.00 0.00 C ATOM 777 C ILE A 50 -10.087 -20.675 11.218 1.00 0.00 C ATOM 778 O ILE A 50 -9.177 -20.577 12.040 1.00 0.00 O ATOM 779 CB ILE A 50 -10.077 -22.696 9.753 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.059 -22.830 8.587 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.534 -24.059 10.154 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.427 -23.369 7.323 1.00 0.00 C ATOM 0 H ILE A 50 -12.429 -21.344 9.877 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.651 -22.656 11.831 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.242 -22.074 9.430 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.876 -23.488 8.884 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.496 -21.854 8.377 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.053 -24.526 9.295 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.806 -23.939 10.956 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.353 -24.690 10.499 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.182 -23.437 6.539 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.629 -22.700 7.001 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.014 -24.359 7.516 1.00 0.00 H new ATOM 794 N ALA A 51 -10.542 -19.643 10.515 1.00 0.00 N ATOM 795 CA ALA A 51 -9.986 -18.305 10.676 1.00 0.00 C ATOM 796 C ALA A 51 -11.029 -17.236 10.368 1.00 0.00 C ATOM 797 O ALA A 51 -11.276 -16.913 9.206 1.00 0.00 O ATOM 798 CB ALA A 51 -8.768 -18.130 9.781 1.00 0.00 C ATOM 0 H ALA A 51 -11.294 -19.708 9.829 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.680 -18.188 11.716 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.362 -17.127 9.911 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.010 -18.866 10.050 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.058 -18.272 8.740 1.00 0.00 H new ATOM 804 N ASP A 52 -11.638 -16.692 11.416 1.00 0.00 N ATOM 805 CA ASP A 52 -12.654 -15.659 11.258 1.00 0.00 C ATOM 806 C ASP A 52 -12.034 -14.268 11.345 1.00 0.00 C ATOM 807 O ASP A 52 -11.596 -13.838 12.413 1.00 0.00 O ATOM 808 CB ASP A 52 -13.741 -15.814 12.323 1.00 0.00 C ATOM 809 CG ASP A 52 -14.542 -14.543 12.523 1.00 0.00 C ATOM 810 OD1 ASP A 52 -15.246 -14.131 11.578 1.00 0.00 O ATOM 811 OD2 ASP A 52 -14.464 -13.960 13.625 1.00 0.00 O ATOM 0 H ASP A 52 -11.445 -16.950 12.384 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.104 -15.776 10.272 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.414 -16.622 12.036 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.281 -16.102 13.268 1.00 0.00 H new ATOM 816 N HIS A 53 -11.999 -13.569 10.215 1.00 0.00 N ATOM 817 CA HIS A 53 -11.431 -12.226 10.165 1.00 0.00 C ATOM 818 C HIS A 53 -12.489 -11.204 9.759 1.00 0.00 C ATOM 819 O HIS A 53 -12.339 -10.007 10.008 1.00 0.00 O ATOM 820 CB HIS A 53 -10.260 -12.181 9.183 1.00 0.00 C ATOM 821 CG HIS A 53 -8.921 -12.115 9.851 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.355 -10.936 10.288 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.035 -13.092 10.157 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.179 -11.190 10.833 1.00 0.00 C ATOM 825 NE2 HIS A 53 -6.961 -12.491 10.767 1.00 0.00 N ATOM 0 H HIS A 53 -12.357 -13.910 9.323 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.070 -11.974 11.162 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.296 -13.065 8.546 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.375 -11.314 8.532 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.151 -14.147 9.958 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.509 -10.458 11.260 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.130 -12.971 11.113 1.00 0.00 H new ATOM 833 N LEU A 54 -13.559 -11.683 9.134 1.00 0.00 N ATOM 834 CA LEU A 54 -14.642 -10.811 8.693 1.00 0.00 C ATOM 835 C LEU A 54 -15.728 -10.711 9.759 1.00 0.00 C ATOM 836 O LEU A 54 -16.664 -9.920 9.635 1.00 0.00 O ATOM 837 CB LEU A 54 -15.241 -11.331 7.385 1.00 0.00 C ATOM 838 CG LEU A 54 -14.246 -11.637 6.265 1.00 0.00 C ATOM 839 CD1 LEU A 54 -14.977 -12.077 5.006 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.374 -10.422 5.980 1.00 0.00 C ATOM 0 H LEU A 54 -13.700 -12.671 8.921 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.230 -9.816 8.526 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.803 -12.239 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.955 -10.594 7.018 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.602 -12.454 6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.252 -12.290 4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.558 -12.975 5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.646 -11.282 4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.672 -10.658 5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.003 -9.586 5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.822 -10.151 6.880 1.00 0.00 H new ATOM 852 N LYS A 55 -15.597 -11.516 10.808 1.00 0.00 N ATOM 853 CA LYS A 55 -16.564 -11.516 11.898 1.00 0.00 C ATOM 854 C LYS A 55 -17.985 -11.666 11.365 1.00 0.00 C ATOM 855 O LYS A 55 -18.891 -10.938 11.772 1.00 0.00 O ATOM 856 CB LYS A 55 -16.447 -10.225 12.712 1.00 0.00 C ATOM 857 CG LYS A 55 -15.176 -10.141 13.539 1.00 0.00 C ATOM 858 CD LYS A 55 -14.964 -8.742 14.094 1.00 0.00 C ATOM 859 CE LYS A 55 -15.854 -8.480 15.299 1.00 0.00 C ATOM 860 NZ LYS A 55 -17.179 -7.929 14.900 1.00 0.00 N ATOM 0 H LYS A 55 -14.829 -12.177 10.926 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.345 -12.366 12.544 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.486 -9.373 12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.308 -10.144 13.375 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.227 -10.856 14.361 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.321 -10.423 12.924 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.919 -8.616 14.378 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.174 -8.006 13.318 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.998 -9.408 15.853 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.358 -7.781 15.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.371 -7.061 15.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.172 -7.710 13.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.921 -8.631 15.098 1.00 0.00 H new ATOM 874 N ILE A 56 -18.173 -12.615 10.454 1.00 0.00 N ATOM 875 CA ILE A 56 -19.485 -12.861 9.868 1.00 0.00 C ATOM 876 C ILE A 56 -20.393 -13.601 10.845 1.00 0.00 C ATOM 877 O ILE A 56 -21.531 -13.194 11.081 1.00 0.00 O ATOM 878 CB ILE A 56 -19.376 -13.678 8.567 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.509 -12.937 7.546 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.759 -13.952 7.996 1.00 0.00 C ATOM 881 CD1 ILE A 56 -17.886 -13.846 6.510 1.00 0.00 C ATOM 0 H ILE A 56 -17.434 -13.226 10.106 1.00 0.00 H new ATOM 0 HA ILE A 56 -19.917 -11.886 9.640 1.00 0.00 H new ATOM 0 HB ILE A 56 -18.902 -14.633 8.793 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -19.118 -12.187 7.041 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.718 -12.403 8.072 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.665 -14.530 7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.347 -14.515 8.721 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.258 -13.007 7.781 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.286 -13.253 5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.251 -14.580 7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -18.672 -14.360 5.957 1.00 0.00 H new ATOM 893 N PHE A 57 -19.882 -14.690 11.410 1.00 0.00 N ATOM 894 CA PHE A 57 -20.647 -15.487 12.363 1.00 0.00 C ATOM 895 C PHE A 57 -20.621 -14.851 13.749 1.00 0.00 C ATOM 896 O PHE A 57 -21.441 -15.174 14.609 1.00 0.00 O ATOM 897 CB PHE A 57 -20.090 -16.910 12.432 1.00 0.00 C ATOM 898 CG PHE A 57 -20.051 -17.604 11.100 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.179 -18.232 10.597 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.885 -17.629 10.351 1.00 0.00 C ATOM 901 CE1 PHE A 57 -21.147 -18.870 9.372 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.847 -18.266 9.125 1.00 0.00 C ATOM 903 CZ PHE A 57 -19.978 -18.888 8.635 1.00 0.00 C ATOM 0 H PHE A 57 -18.942 -15.041 11.225 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.681 -15.525 12.020 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.082 -16.877 12.845 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.698 -17.497 13.121 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.095 -18.223 11.170 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.997 -17.145 10.729 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -22.034 -19.354 8.991 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.933 -18.277 8.550 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.949 -19.388 7.678 1.00 0.00 H new ATOM 913 N HIS A 58 -19.672 -13.944 13.960 1.00 0.00 N ATOM 914 CA HIS A 58 -19.537 -13.262 15.242 1.00 0.00 C ATOM 915 C HIS A 58 -20.800 -12.470 15.571 1.00 0.00 C ATOM 916 O HIS A 58 -21.032 -12.104 16.723 1.00 0.00 O ATOM 917 CB HIS A 58 -18.326 -12.328 15.223 1.00 0.00 C ATOM 918 CG HIS A 58 -17.800 -12.002 16.586 1.00 0.00 C ATOM 919 ND1 HIS A 58 -18.401 -11.087 17.426 1.00 0.00 N ATOM 920 CD2 HIS A 58 -16.724 -12.475 17.257 1.00 0.00 C ATOM 921 CE1 HIS A 58 -17.716 -11.011 18.552 1.00 0.00 C ATOM 922 NE2 HIS A 58 -16.693 -11.843 18.476 1.00 0.00 N ATOM 0 H HIS A 58 -18.985 -13.665 13.259 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.391 -14.018 16.014 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.531 -12.789 14.637 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.600 -11.402 14.717 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -16.020 -13.213 16.900 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -17.952 -10.376 19.393 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -15.994 -11.992 19.204 1.00 0.00 H new ATOM 930 N ASP A 59 -21.610 -12.208 14.551 1.00 0.00 N ATOM 931 CA ASP A 59 -22.848 -11.459 14.732 1.00 0.00 C ATOM 932 C ASP A 59 -23.988 -12.386 15.144 1.00 0.00 C ATOM 933 O ASP A 59 -25.145 -11.971 15.211 1.00 0.00 O ATOM 934 CB ASP A 59 -23.216 -10.721 13.443 1.00 0.00 C ATOM 935 CG ASP A 59 -22.326 -9.520 13.191 1.00 0.00 C ATOM 936 OD1 ASP A 59 -22.652 -8.425 13.694 1.00 0.00 O ATOM 937 OD2 ASP A 59 -21.305 -9.674 12.488 1.00 0.00 O ATOM 0 H ASP A 59 -21.432 -12.503 13.591 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.690 -10.730 15.527 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -23.142 -11.408 12.600 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.255 -10.395 13.498 1.00 0.00 H new ATOM 942 N HIS A 60 -23.652 -13.642 15.419 1.00 0.00 N ATOM 943 CA HIS A 60 -24.648 -14.628 15.825 1.00 0.00 C ATOM 944 C HIS A 60 -25.998 -14.333 15.180 1.00 0.00 C ATOM 945 O HIS A 60 -27.034 -14.356 15.846 1.00 0.00 O ATOM 946 CB HIS A 60 -24.789 -14.644 17.347 1.00 0.00 C ATOM 947 CG HIS A 60 -25.575 -13.490 17.888 1.00 0.00 C ATOM 948 ND1 HIS A 60 -25.304 -12.164 17.904 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -26.800 -13.637 18.505 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -26.360 -11.540 18.522 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -27.249 -12.451 18.875 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.699 -14.001 15.368 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.311 -15.609 15.489 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.270 -15.574 17.649 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -23.796 -14.639 17.796 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -27.312 -14.575 18.661 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.449 -10.477 18.692 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -28.132 -12.270 19.352 1.00 0.00 H new ATOM 959 N HIS A 61 -25.980 -14.056 13.880 1.00 0.00 N ATOM 960 CA HIS A 61 -27.204 -13.757 13.145 1.00 0.00 C ATOM 961 C HIS A 61 -27.076 -14.175 11.683 1.00 0.00 C ATOM 962 O HIS A 61 -27.825 -13.708 10.825 1.00 0.00 O ATOM 963 CB HIS A 61 -27.525 -12.264 13.234 1.00 0.00 C ATOM 964 CG HIS A 61 -28.420 -11.911 14.382 1.00 0.00 C ATOM 965 ND1 HIS A 61 -28.138 -11.683 15.686 1.00 0.00 N flip ATOM 966 CD2 HIS A 61 -29.784 -11.758 14.254 1.00 0.00 C flip ATOM 967 CE1 HIS A 61 -29.325 -11.398 16.315 1.00 0.00 C flip ATOM 968 NE2 HIS A 61 -30.303 -11.449 15.429 1.00 0.00 N flip ATOM 0 H HIS A 61 -25.132 -14.032 13.314 1.00 0.00 H new ATOM 0 HA HIS A 61 -28.018 -14.324 13.597 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.594 -11.705 13.325 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.998 -11.946 12.305 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -30.342 -11.873 13.336 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -29.440 -11.169 17.364 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -31.291 -11.279 15.619 1.00 0.00 H new ATOM 976 N VAL A 62 -26.122 -15.058 11.407 1.00 0.00 N ATOM 977 CA VAL A 62 -25.896 -15.540 10.050 1.00 0.00 C ATOM 978 C VAL A 62 -25.677 -17.049 10.031 1.00 0.00 C ATOM 979 O VAL A 62 -24.973 -17.596 10.881 1.00 0.00 O ATOM 980 CB VAL A 62 -24.681 -14.848 9.403 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.394 -15.274 10.093 1.00 0.00 C ATOM 982 CG2 VAL A 62 -24.625 -15.154 7.914 1.00 0.00 C ATOM 0 H VAL A 62 -25.493 -15.454 12.105 1.00 0.00 H new ATOM 0 HA VAL A 62 -26.791 -15.299 9.476 1.00 0.00 H new ATOM 0 HB VAL A 62 -24.790 -13.770 9.525 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.547 -14.775 9.623 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.438 -14.999 11.147 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.274 -16.354 10.005 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -23.761 -14.657 7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.539 -16.231 7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.535 -14.794 7.434 1.00 0.00 H new ATOM 992 N THR A 63 -26.284 -17.718 9.056 1.00 0.00 N ATOM 993 CA THR A 63 -26.156 -19.164 8.927 1.00 0.00 C ATOM 994 C THR A 63 -25.177 -19.532 7.819 1.00 0.00 C ATOM 995 O THR A 63 -24.886 -18.722 6.939 1.00 0.00 O ATOM 996 CB THR A 63 -27.517 -19.824 8.634 1.00 0.00 C ATOM 997 OG1 THR A 63 -27.322 -21.167 8.177 1.00 0.00 O ATOM 998 CG2 THR A 63 -28.288 -19.034 7.588 1.00 0.00 C ATOM 0 H THR A 63 -26.869 -17.281 8.344 1.00 0.00 H new ATOM 0 HA THR A 63 -25.778 -19.535 9.880 1.00 0.00 H new ATOM 0 HB THR A 63 -28.096 -19.835 9.557 1.00 0.00 H new ATOM 0 HG1 THR A 63 -28.185 -21.631 8.147 1.00 0.00 H new ATOM 0 HG21 THR A 63 -29.245 -19.519 7.398 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.461 -18.021 7.951 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.711 -18.995 6.664 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.670 -20.761 7.867 1.00 0.00 N ATOM 1007 CA VAL A 64 -23.724 -21.237 6.865 1.00 0.00 C ATOM 1008 C VAL A 64 -24.293 -21.091 5.458 1.00 0.00 C ATOM 1009 O VAL A 64 -23.600 -20.653 4.541 1.00 0.00 O ATOM 1010 CB VAL A 64 -23.348 -22.712 7.105 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -22.336 -23.180 6.071 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -22.809 -22.901 8.515 1.00 0.00 C ATOM 0 H VAL A 64 -24.899 -21.444 8.589 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.829 -20.622 6.957 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.246 -23.320 6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -22.082 -24.224 6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -22.764 -23.082 5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -21.435 -22.570 6.141 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -22.548 -23.948 8.668 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -21.922 -22.283 8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -23.570 -22.608 9.238 1.00 0.00 H new ATOM 1022 N GLU A 65 -25.559 -21.462 5.297 1.00 0.00 N ATOM 1023 CA GLU A 65 -26.221 -21.373 4.000 1.00 0.00 C ATOM 1024 C GLU A 65 -26.220 -19.936 3.487 1.00 0.00 C ATOM 1025 O GLU A 65 -26.058 -19.694 2.291 1.00 0.00 O ATOM 1026 CB GLU A 65 -27.658 -21.889 4.100 1.00 0.00 C ATOM 1027 CG GLU A 65 -28.533 -21.075 5.039 1.00 0.00 C ATOM 1028 CD GLU A 65 -29.943 -21.623 5.144 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -30.258 -22.592 4.421 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -30.732 -21.084 5.947 1.00 0.00 O ATOM 0 H GLU A 65 -26.146 -21.827 6.047 1.00 0.00 H new ATOM 0 HA GLU A 65 -25.668 -21.993 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.106 -21.887 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -27.640 -22.925 4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -28.079 -21.058 6.030 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -28.573 -20.043 4.689 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.401 -18.987 4.400 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.421 -17.574 4.039 1.00 0.00 C ATOM 1039 C GLN A 66 -25.074 -17.137 3.473 1.00 0.00 C ATOM 1040 O GLN A 66 -25.012 -16.350 2.528 1.00 0.00 O ATOM 1041 CB GLN A 66 -26.777 -16.720 5.257 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.268 -16.461 5.405 1.00 0.00 C ATOM 1043 CD GLN A 66 -28.582 -15.467 6.505 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -29.182 -15.818 7.522 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.177 -14.218 6.308 1.00 0.00 N ATOM 0 H GLN A 66 -26.536 -19.171 5.394 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.180 -17.432 3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.412 -17.215 6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.256 -15.765 5.185 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -28.663 -16.088 4.460 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -28.777 -17.402 5.615 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -27.683 -13.971 5.450 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -28.360 -13.505 7.014 1.00 0.00 H new ATOM 1054 N LEU A 67 -23.998 -17.652 4.057 1.00 0.00 N ATOM 1055 CA LEU A 67 -22.651 -17.315 3.610 1.00 0.00 C ATOM 1056 C LEU A 67 -22.471 -17.634 2.130 1.00 0.00 C ATOM 1057 O LEU A 67 -21.924 -16.832 1.374 1.00 0.00 O ATOM 1058 CB LEU A 67 -21.613 -18.076 4.437 1.00 0.00 C ATOM 1059 CG LEU A 67 -21.052 -17.339 5.654 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -20.093 -16.243 5.219 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -22.181 -16.760 6.494 1.00 0.00 C ATOM 0 H LEU A 67 -24.032 -18.304 4.841 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.506 -16.244 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.062 -19.009 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -20.782 -18.342 3.784 1.00 0.00 H new ATOM 0 HG LEU A 67 -20.501 -18.054 6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -19.704 -15.730 6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.267 -16.683 4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.620 -15.529 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.763 -16.239 7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -22.760 -16.059 5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -22.830 -17.566 6.837 1.00 0.00 H new ATOM 1073 N MET A 68 -22.939 -18.809 1.722 1.00 0.00 N ATOM 1074 CA MET A 68 -22.833 -19.232 0.330 1.00 0.00 C ATOM 1075 C MET A 68 -23.815 -18.463 -0.548 1.00 0.00 C ATOM 1076 O MET A 68 -23.503 -18.114 -1.687 1.00 0.00 O ATOM 1077 CB MET A 68 -23.094 -20.735 0.211 1.00 0.00 C ATOM 1078 CG MET A 68 -22.339 -21.566 1.235 1.00 0.00 C ATOM 1079 SD MET A 68 -22.164 -23.291 0.738 1.00 0.00 S ATOM 1080 CE MET A 68 -23.864 -23.846 0.839 1.00 0.00 C ATOM 0 H MET A 68 -23.395 -19.485 2.335 1.00 0.00 H new ATOM 0 HA MET A 68 -21.821 -19.017 -0.013 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.162 -20.920 0.322 1.00 0.00 H new ATOM 0 HB3 MET A 68 -22.816 -21.066 -0.790 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.350 -21.134 1.389 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.860 -21.519 2.191 1.00 0.00 H new ATOM 0 HE1 MET A 68 -23.920 -24.898 0.560 1.00 0.00 H new ATOM 0 HE2 MET A 68 -24.228 -23.721 1.859 1.00 0.00 H new ATOM 0 HE3 MET A 68 -24.480 -23.257 0.159 1.00 0.00 H new ATOM 1254 N ASP A 81 -16.528 -26.192 0.851 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.494 -25.218 1.181 1.00 0.00 C ATOM 1256 C ASP A 81 -15.792 -23.869 0.535 1.00 0.00 C ATOM 1257 O ASP A 81 -16.169 -23.799 -0.636 1.00 0.00 O ATOM 1258 CB ASP A 81 -14.124 -25.724 0.727 1.00 0.00 C ATOM 1259 CG ASP A 81 -13.889 -27.174 1.101 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -14.440 -27.618 2.129 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -13.152 -27.864 0.365 1.00 0.00 O ATOM 0 HA ASP A 81 -15.484 -25.087 2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -14.039 -25.612 -0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.345 -25.106 1.174 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.623 -22.800 1.306 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.875 -21.452 0.809 1.00 0.00 C ATOM 1268 C LEU A 82 -15.011 -20.431 1.543 1.00 0.00 C ATOM 1269 O LEU A 82 -14.961 -20.417 2.773 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.354 -21.095 0.970 1.00 0.00 C ATOM 1271 CG LEU A 82 -17.839 -19.875 0.188 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -17.404 -19.965 -1.267 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -19.352 -19.745 0.286 1.00 0.00 C ATOM 0 H LEU A 82 -15.313 -22.841 2.277 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.615 -21.427 -0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.950 -21.956 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.553 -20.926 2.028 1.00 0.00 H new ATOM 0 HG LEU A 82 -17.388 -18.985 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.759 -19.088 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -16.316 -20.008 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -17.825 -20.864 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -19.679 -18.871 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -19.821 -20.638 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -19.641 -19.633 1.331 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.335 -19.577 0.781 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.475 -18.552 1.360 1.00 0.00 C ATOM 1287 C GLU A 83 -14.052 -17.160 1.123 1.00 0.00 C ATOM 1288 O GLU A 83 -14.646 -16.891 0.078 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.068 -18.641 0.766 1.00 0.00 C ATOM 1290 CG GLU A 83 -11.557 -20.064 0.620 1.00 0.00 C ATOM 1291 CD GLU A 83 -12.039 -20.729 -0.655 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -11.675 -20.247 -1.748 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -12.779 -21.730 -0.559 1.00 0.00 O ATOM 0 H GLU A 83 -14.366 -19.575 -0.239 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.420 -18.725 2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.065 -18.161 -0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.380 -18.080 1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.467 -20.058 0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.882 -20.653 1.478 1.00 0.00 H new ATOM 1300 N PHE A 84 -13.875 -16.278 2.101 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.379 -14.913 2.000 1.00 0.00 C ATOM 1302 C PHE A 84 -13.285 -13.903 2.336 1.00 0.00 C ATOM 1303 O PHE A 84 -12.669 -13.972 3.399 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.574 -14.718 2.936 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.591 -15.820 2.847 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -17.457 -15.896 1.768 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -16.681 -16.779 3.842 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -18.393 -16.909 1.683 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -17.615 -17.795 3.762 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.473 -17.859 2.682 1.00 0.00 C ATOM 0 H PHE A 84 -13.386 -16.484 2.972 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.700 -14.746 0.972 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.214 -14.649 3.962 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -16.057 -13.769 2.703 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -17.400 -15.155 0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -16.014 -16.733 4.690 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -19.061 -16.958 0.836 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -17.674 -18.538 4.544 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.205 -18.650 2.619 1.00 0.00 H new ATOM 1320 N GLU A 85 -13.051 -12.967 1.422 1.00 0.00 N ATOM 1321 CA GLU A 85 -12.031 -11.944 1.621 1.00 0.00 C ATOM 1322 C GLU A 85 -12.657 -10.552 1.656 1.00 0.00 C ATOM 1323 O GLU A 85 -12.045 -9.597 2.136 1.00 0.00 O ATOM 1324 CB GLU A 85 -10.982 -12.016 0.510 1.00 0.00 C ATOM 1325 CG GLU A 85 -11.570 -12.279 -0.866 1.00 0.00 C ATOM 1326 CD GLU A 85 -12.467 -11.153 -1.343 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -11.962 -10.026 -1.521 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -13.676 -11.401 -1.537 1.00 0.00 O ATOM 0 H GLU A 85 -13.553 -12.896 0.537 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.547 -12.130 2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.426 -11.079 0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.267 -12.804 0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.760 -12.421 -1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.141 -13.207 -0.842 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.878 -10.446 1.144 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.587 -9.172 1.117 1.00 0.00 C ATOM 1337 C ASP A 86 -16.096 -9.388 1.178 1.00 0.00 C ATOM 1338 O ASP A 86 -16.770 -9.420 0.148 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.222 -8.388 -0.144 1.00 0.00 C ATOM 1340 CG ASP A 86 -14.737 -6.962 -0.109 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -15.967 -6.778 0.000 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -13.909 -6.030 -0.192 1.00 0.00 O ATOM 0 H ASP A 86 -14.397 -11.227 0.742 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.285 -8.598 1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.138 -8.377 -0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.631 -8.898 -1.016 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.619 -9.537 2.390 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.047 -9.751 2.584 1.00 0.00 C ATOM 1349 C ILE A 87 -18.865 -8.668 1.887 1.00 0.00 C ATOM 1350 O ILE A 87 -18.394 -7.555 1.652 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.415 -9.773 4.079 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -17.755 -8.600 4.807 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -17.999 -11.095 4.707 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -18.289 -8.379 6.205 1.00 0.00 C ATOM 0 H ILE A 87 -16.075 -9.513 3.252 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.283 -10.721 2.146 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.496 -9.672 4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -16.680 -8.774 4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -17.902 -7.691 4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.266 -11.096 5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.511 -11.914 4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -16.921 -11.223 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -17.776 -7.532 6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -19.358 -8.173 6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.118 -9.273 6.805 1.00 0.00 H new ATOM 1366 N PRO A 88 -20.120 -9.000 1.550 1.00 0.00 N ATOM 1367 CA PRO A 88 -21.031 -8.069 0.878 1.00 0.00 C ATOM 1368 C PRO A 88 -21.472 -6.929 1.790 1.00 0.00 C ATOM 1369 O PRO A 88 -20.944 -6.760 2.889 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.227 -8.949 0.505 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.199 -10.064 1.493 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.747 -10.308 1.800 1.00 0.00 C ATOM 0 HA PRO A 88 -20.559 -7.583 0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -23.162 -8.392 0.563 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -22.141 -9.322 -0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.750 -9.800 2.396 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.667 -10.959 1.085 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.603 -10.632 2.831 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.326 -11.084 1.161 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.444 -6.150 1.327 1.00 0.00 N ATOM 1381 CA ASP A 89 -22.958 -5.026 2.102 1.00 0.00 C ATOM 1382 C ASP A 89 -24.362 -5.320 2.619 1.00 0.00 C ATOM 1383 O ASP A 89 -24.815 -4.717 3.592 1.00 0.00 O ATOM 1384 CB ASP A 89 -22.969 -3.755 1.252 1.00 0.00 C ATOM 1385 CG ASP A 89 -23.284 -2.516 2.067 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -24.467 -2.320 2.415 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -22.348 -1.742 2.357 1.00 0.00 O ATOM 0 H ASP A 89 -22.892 -6.276 0.419 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.300 -4.875 2.958 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -21.998 -3.634 0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -23.706 -3.860 0.456 1.00 0.00 H new ATOM 1392 N SER A 90 -25.047 -6.250 1.962 1.00 0.00 N ATOM 1393 CA SER A 90 -26.403 -6.621 2.352 1.00 0.00 C ATOM 1394 C SER A 90 -26.395 -7.418 3.653 1.00 0.00 C ATOM 1395 O SER A 90 -27.353 -7.377 4.425 1.00 0.00 O ATOM 1396 CB SER A 90 -27.069 -7.438 1.243 1.00 0.00 C ATOM 1397 OG SER A 90 -26.692 -6.964 -0.037 1.00 0.00 O ATOM 0 H SER A 90 -24.685 -6.761 1.157 1.00 0.00 H new ATOM 0 HA SER A 90 -26.973 -5.706 2.511 1.00 0.00 H new ATOM 0 HB2 SER A 90 -26.790 -8.487 1.342 1.00 0.00 H new ATOM 0 HB3 SER A 90 -28.153 -7.385 1.349 1.00 0.00 H new ATOM 0 HG SER A 90 -27.130 -7.504 -0.728 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.307 -8.143 3.888 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.172 -8.950 5.096 1.00 0.00 C ATOM 1405 C LEU A 91 -24.931 -8.069 6.317 1.00 0.00 C ATOM 1406 O LEU A 91 -25.708 -8.086 7.272 1.00 0.00 O ATOM 1407 CB LEU A 91 -24.024 -9.949 4.939 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.276 -11.116 3.984 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -23.062 -12.031 3.928 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.514 -11.894 4.405 1.00 0.00 C ATOM 0 H LEU A 91 -24.506 -8.189 3.258 1.00 0.00 H new ATOM 0 HA LEU A 91 -26.104 -9.496 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -23.143 -9.408 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -23.785 -10.355 5.922 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.448 -10.713 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.259 -12.856 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -22.197 -11.467 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -22.858 -12.426 4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.677 -12.720 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.372 -12.286 5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.381 -11.233 4.392 1.00 0.00 H new