USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 449 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 22 HIS : no HE2:sc= -4.98! K(o=-4.9!,f=-3.2) USER MOD Set 1.2: A 57 TYR OH : rot -92:sc= 0.0296 USER MOD Single : A 12 MET CE :methyl -160:sc= 0 (180deg=-0.357) USER MOD Single : A 13 SER OG : rot 180:sc= 0.00138 USER MOD Single : A 15 SER OG : rot 180:sc= -0.101 USER MOD Single : A 20 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.84) USER MOD Single : A 25 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.2!) USER MOD Single : A 30 ASN : amide:sc= -0.638 X(o=-0.64,f=-0.21) USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= -0.175 (180deg=-0.912) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 113:sc= 1.17 USER MOD Single : A 41 GLN : amide:sc= 0.0007 X(o=0.0007,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= 0.17 (180deg=0.17) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0145) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N PRO A 11 -0.969 0.591 -8.528 1.00 0.00 N ATOM 130 CA PRO A 11 -0.985 1.404 -7.308 1.00 0.00 C ATOM 131 C PRO A 11 -1.290 2.871 -7.593 1.00 0.00 C ATOM 132 O PRO A 11 -1.636 3.235 -8.717 1.00 0.00 O ATOM 133 CB PRO A 11 0.436 1.250 -6.760 1.00 0.00 C ATOM 134 CG PRO A 11 1.269 0.931 -7.953 1.00 0.00 C ATOM 135 CD PRO A 11 0.388 0.133 -8.873 1.00 0.00 C ATOM 0 HA PRO A 11 -1.761 1.082 -6.614 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.774 2.165 -6.274 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.489 0.455 -6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.618 1.842 -8.440 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.154 0.362 -7.670 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.623 0.324 -9.920 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.504 -0.939 -8.711 1.00 0.00 H new ATOM 143 N MET A 12 -1.160 3.707 -6.569 1.00 0.00 N ATOM 144 CA MET A 12 -1.421 5.135 -6.711 1.00 0.00 C ATOM 145 C MET A 12 -0.122 5.906 -6.922 1.00 0.00 C ATOM 146 O MET A 12 0.712 5.995 -6.020 1.00 0.00 O ATOM 147 CB MET A 12 -2.149 5.668 -5.476 1.00 0.00 C ATOM 148 CG MET A 12 -3.664 5.595 -5.584 1.00 0.00 C ATOM 149 SD MET A 12 -4.489 5.929 -4.017 1.00 0.00 S ATOM 150 CE MET A 12 -4.529 7.720 -4.030 1.00 0.00 C ATOM 0 H MET A 12 -0.876 3.421 -5.632 1.00 0.00 H new ATOM 0 HA MET A 12 -2.054 5.278 -7.586 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.828 5.101 -4.602 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.854 6.704 -5.310 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.006 6.312 -6.330 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.952 4.605 -5.938 1.00 0.00 H new ATOM 0 HE1 MET A 12 -4.671 8.088 -3.014 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.588 8.102 -4.426 1.00 0.00 H new ATOM 0 HE3 MET A 12 -5.352 8.061 -4.658 1.00 0.00 H new ATOM 160 N SER A 13 0.044 6.462 -8.118 1.00 0.00 N ATOM 161 CA SER A 13 1.243 7.222 -8.448 1.00 0.00 C ATOM 162 C SER A 13 1.273 8.546 -7.691 1.00 0.00 C ATOM 163 O SER A 13 0.247 9.017 -7.201 1.00 0.00 O ATOM 164 CB SER A 13 1.310 7.482 -9.954 1.00 0.00 C ATOM 165 OG SER A 13 0.091 8.022 -10.433 1.00 0.00 O ATOM 0 H SER A 13 -0.637 6.400 -8.875 1.00 0.00 H new ATOM 0 HA SER A 13 2.110 6.632 -8.149 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.127 8.170 -10.171 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.530 6.551 -10.477 1.00 0.00 H new ATOM 0 HG SER A 13 0.160 8.181 -11.398 1.00 0.00 H new ATOM 171 N ALA A 14 2.457 9.142 -7.600 1.00 0.00 N ATOM 172 CA ALA A 14 2.622 10.413 -6.904 1.00 0.00 C ATOM 173 C ALA A 14 1.598 11.437 -7.383 1.00 0.00 C ATOM 174 O ALA A 14 1.090 12.236 -6.596 1.00 0.00 O ATOM 175 CB ALA A 14 4.034 10.944 -7.102 1.00 0.00 C ATOM 0 H ALA A 14 3.317 8.765 -7.999 1.00 0.00 H new ATOM 0 HA ALA A 14 2.456 10.241 -5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.143 11.893 -6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.752 10.226 -6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.220 11.094 -8.165 1.00 0.00 H new ATOM 181 N SER A 15 1.300 11.409 -8.678 1.00 0.00 N ATOM 182 CA SER A 15 0.340 12.338 -9.262 1.00 0.00 C ATOM 183 C SER A 15 -0.998 12.265 -8.534 1.00 0.00 C ATOM 184 O SER A 15 -1.673 13.278 -8.350 1.00 0.00 O ATOM 185 CB SER A 15 0.143 12.033 -10.748 1.00 0.00 C ATOM 186 OG SER A 15 1.360 12.163 -11.462 1.00 0.00 O ATOM 0 H SER A 15 1.710 10.753 -9.343 1.00 0.00 H new ATOM 0 HA SER A 15 0.737 13.348 -9.155 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.245 11.021 -10.866 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.601 12.711 -11.166 1.00 0.00 H new ATOM 0 HG SER A 15 1.207 11.962 -12.409 1.00 0.00 H new ATOM 192 N ALA A 16 -1.376 11.059 -8.122 1.00 0.00 N ATOM 193 CA ALA A 16 -2.632 10.854 -7.412 1.00 0.00 C ATOM 194 C ALA A 16 -2.540 11.356 -5.976 1.00 0.00 C ATOM 195 O ALA A 16 -3.455 12.014 -5.477 1.00 0.00 O ATOM 196 CB ALA A 16 -3.016 9.381 -7.435 1.00 0.00 C ATOM 0 H ALA A 16 -0.830 10.210 -8.268 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.406 11.429 -7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.956 9.242 -6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.133 9.051 -8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.235 8.794 -6.953 1.00 0.00 H new ATOM 202 N LEU A 17 -1.431 11.042 -5.314 1.00 0.00 N ATOM 203 CA LEU A 17 -1.220 11.462 -3.933 1.00 0.00 C ATOM 204 C LEU A 17 -1.488 12.955 -3.770 1.00 0.00 C ATOM 205 O LEU A 17 -2.401 13.357 -3.049 1.00 0.00 O ATOM 206 CB LEU A 17 0.210 11.138 -3.495 1.00 0.00 C ATOM 207 CG LEU A 17 0.448 9.718 -2.980 1.00 0.00 C ATOM 208 CD1 LEU A 17 -0.385 9.455 -1.735 1.00 0.00 C ATOM 209 CD2 LEU A 17 0.130 8.698 -4.063 1.00 0.00 C ATOM 0 H LEU A 17 -0.665 10.498 -5.711 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.921 10.916 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.876 11.313 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.497 11.840 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 17 1.501 9.620 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.203 8.440 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.108 10.165 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.442 9.572 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.305 7.693 -3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.914 8.796 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.771 8.873 -4.927 1.00 0.00 H new ATOM 221 N PHE A 18 -0.688 13.772 -4.447 1.00 0.00 N ATOM 222 CA PHE A 18 -0.839 15.220 -4.379 1.00 0.00 C ATOM 223 C PHE A 18 -2.306 15.621 -4.511 1.00 0.00 C ATOM 224 O PHE A 18 -2.776 16.534 -3.832 1.00 0.00 O ATOM 225 CB PHE A 18 -0.014 15.893 -5.477 1.00 0.00 C ATOM 226 CG PHE A 18 -0.218 17.379 -5.555 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.304 17.908 -6.234 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.676 18.247 -4.950 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.494 19.275 -6.307 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.490 19.615 -5.019 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.596 20.130 -5.700 1.00 0.00 C ATOM 0 H PHE A 18 0.072 13.455 -5.049 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.476 15.552 -3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.042 15.688 -5.304 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.272 15.448 -6.438 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.010 17.245 -6.712 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.528 17.850 -4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.345 19.674 -6.839 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.193 20.281 -4.541 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.742 21.199 -5.757 1.00 0.00 H new ATOM 241 N VAL A 19 -3.024 14.931 -5.391 1.00 0.00 N ATOM 242 CA VAL A 19 -4.437 15.213 -5.614 1.00 0.00 C ATOM 243 C VAL A 19 -5.260 14.914 -4.366 1.00 0.00 C ATOM 244 O VAL A 19 -5.963 15.783 -3.852 1.00 0.00 O ATOM 245 CB VAL A 19 -4.995 14.392 -6.792 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.485 14.643 -6.960 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.243 14.720 -8.073 1.00 0.00 C ATOM 0 H VAL A 19 -2.650 14.172 -5.961 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.514 16.274 -5.852 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.852 13.334 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.861 14.054 -7.797 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.008 14.353 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.656 15.702 -7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.650 14.131 -8.895 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.352 15.781 -8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.187 14.483 -7.946 1.00 0.00 H new ATOM 257 N GLN A 20 -5.167 13.679 -3.884 1.00 0.00 N ATOM 258 CA GLN A 20 -5.903 13.265 -2.695 1.00 0.00 C ATOM 259 C GLN A 20 -5.520 14.121 -1.492 1.00 0.00 C ATOM 260 O GLN A 20 -6.328 14.336 -0.589 1.00 0.00 O ATOM 261 CB GLN A 20 -5.638 11.790 -2.392 1.00 0.00 C ATOM 262 CG GLN A 20 -6.623 10.844 -3.060 1.00 0.00 C ATOM 263 CD GLN A 20 -6.935 11.241 -4.490 1.00 0.00 C ATOM 264 OE1 GLN A 20 -7.984 11.821 -4.771 1.00 0.00 O ATOM 265 NE2 GLN A 20 -6.022 10.930 -5.403 1.00 0.00 N ATOM 0 H GLN A 20 -4.589 12.948 -4.298 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.966 13.402 -2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.628 11.537 -2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.675 11.637 -1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.215 9.833 -3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.548 10.821 -2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.166 10.449 -5.125 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.176 11.172 -6.382 1.00 0.00 H new ATOM 274 N ASP A 21 -4.283 14.605 -1.487 1.00 0.00 N ATOM 275 CA ASP A 21 -3.792 15.438 -0.395 1.00 0.00 C ATOM 276 C ASP A 21 -4.527 16.774 -0.359 1.00 0.00 C ATOM 277 O ASP A 21 -5.167 17.116 0.636 1.00 0.00 O ATOM 278 CB ASP A 21 -2.288 15.672 -0.540 1.00 0.00 C ATOM 279 CG ASP A 21 -1.473 14.451 -0.162 1.00 0.00 C ATOM 280 OD1 ASP A 21 -1.379 14.152 1.047 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.928 13.794 -1.075 1.00 0.00 O ATOM 0 H ASP A 21 -3.602 14.435 -2.227 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.981 14.915 0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.064 15.950 -1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.992 16.512 0.088 1.00 0.00 H new ATOM 286 N HIS A 22 -4.428 17.528 -1.450 1.00 0.00 N ATOM 287 CA HIS A 22 -5.083 18.828 -1.543 1.00 0.00 C ATOM 288 C HIS A 22 -6.470 18.695 -2.164 1.00 0.00 C ATOM 289 O HIS A 22 -7.082 19.687 -2.558 1.00 0.00 O ATOM 290 CB HIS A 22 -4.232 19.793 -2.368 1.00 0.00 C ATOM 291 CG HIS A 22 -2.767 19.705 -2.070 1.00 0.00 C ATOM 292 ND1 HIS A 22 -1.807 20.366 -2.808 1.00 0.00 N ATOM 293 CD2 HIS A 22 -2.098 19.028 -1.107 1.00 0.00 C ATOM 294 CE1 HIS A 22 -0.612 20.099 -2.312 1.00 0.00 C ATOM 295 NE2 HIS A 22 -0.761 19.290 -1.279 1.00 0.00 N ATOM 0 H HIS A 22 -3.901 17.261 -2.281 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.193 19.225 -0.534 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.392 19.591 -3.427 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.571 20.812 -2.184 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -1.991 20.967 -3.611 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.535 18.399 -0.345 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.327 20.478 -2.688 1.00 0.00 H new ATOM 304 N ARG A 23 -6.959 17.462 -2.249 1.00 0.00 N ATOM 305 CA ARG A 23 -8.273 17.199 -2.825 1.00 0.00 C ATOM 306 C ARG A 23 -9.355 17.985 -2.091 1.00 0.00 C ATOM 307 O ARG A 23 -10.062 18.808 -2.674 1.00 0.00 O ATOM 308 CB ARG A 23 -8.588 15.703 -2.769 1.00 0.00 C ATOM 309 CG ARG A 23 -10.064 15.398 -2.575 1.00 0.00 C ATOM 310 CD ARG A 23 -10.316 13.902 -2.476 1.00 0.00 C ATOM 311 NE ARG A 23 -10.156 13.409 -1.110 1.00 0.00 N ATOM 312 CZ ARG A 23 -10.339 12.141 -0.761 1.00 0.00 C ATOM 313 NH1 ARG A 23 -10.685 11.242 -1.672 1.00 0.00 N ATOM 314 NH2 ARG A 23 -10.175 11.770 0.503 1.00 0.00 N ATOM 0 H ARG A 23 -6.465 16.630 -1.927 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.257 17.521 -3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.247 15.234 -3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.022 15.252 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.422 15.889 -1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.634 15.810 -3.408 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.324 13.680 -2.826 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.627 13.374 -3.135 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.889 14.075 -0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.811 11.524 -2.644 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.825 10.269 -1.401 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.908 12.459 1.206 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.316 10.796 0.771 1.00 0.00 H new ATOM 328 N PRO A 24 -9.489 17.728 -0.782 1.00 0.00 N ATOM 329 CA PRO A 24 -10.483 18.401 0.060 1.00 0.00 C ATOM 330 C PRO A 24 -10.151 19.872 0.284 1.00 0.00 C ATOM 331 O PRO A 24 -11.041 20.723 0.297 1.00 0.00 O ATOM 332 CB PRO A 24 -10.410 17.630 1.380 1.00 0.00 C ATOM 333 CG PRO A 24 -9.035 17.056 1.409 1.00 0.00 C ATOM 334 CD PRO A 24 -8.680 16.760 -0.022 1.00 0.00 C ATOM 0 HA PRO A 24 -11.473 18.399 -0.397 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.582 18.287 2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.167 16.847 1.423 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.328 17.759 1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.003 16.150 2.015 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.614 16.894 -0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.924 15.733 -0.292 1.00 0.00 H new ATOM 342 N GLN A 25 -8.867 20.165 0.459 1.00 0.00 N ATOM 343 CA GLN A 25 -8.420 21.535 0.682 1.00 0.00 C ATOM 344 C GLN A 25 -9.142 22.502 -0.250 1.00 0.00 C ATOM 345 O GLN A 25 -9.491 23.615 0.143 1.00 0.00 O ATOM 346 CB GLN A 25 -6.908 21.640 0.475 1.00 0.00 C ATOM 347 CG GLN A 25 -6.319 22.959 0.951 1.00 0.00 C ATOM 348 CD GLN A 25 -5.919 22.925 2.413 1.00 0.00 C ATOM 349 OE1 GLN A 25 -5.461 21.900 2.919 1.00 0.00 O ATOM 350 NE2 GLN A 25 -6.090 24.048 3.100 1.00 0.00 N ATOM 0 H GLN A 25 -8.118 19.473 0.451 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.658 21.806 1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.420 20.822 1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.685 21.513 -0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.446 23.203 0.345 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.047 23.755 0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.473 24.874 2.640 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.838 24.085 4.088 1.00 0.00 H new ATOM 359 N PHE A 26 -9.361 22.070 -1.488 1.00 0.00 N ATOM 360 CA PHE A 26 -10.041 22.899 -2.477 1.00 0.00 C ATOM 361 C PHE A 26 -11.515 23.069 -2.124 1.00 0.00 C ATOM 362 O PHE A 26 -12.103 24.126 -2.355 1.00 0.00 O ATOM 363 CB PHE A 26 -9.906 22.280 -3.870 1.00 0.00 C ATOM 364 CG PHE A 26 -9.958 23.289 -4.982 1.00 0.00 C ATOM 365 CD1 PHE A 26 -11.104 24.035 -5.204 1.00 0.00 C ATOM 366 CD2 PHE A 26 -8.861 23.491 -5.803 1.00 0.00 C ATOM 367 CE1 PHE A 26 -11.155 24.963 -6.227 1.00 0.00 C ATOM 368 CE2 PHE A 26 -8.906 24.419 -6.827 1.00 0.00 C ATOM 369 CZ PHE A 26 -10.054 25.156 -7.039 1.00 0.00 C ATOM 0 H PHE A 26 -9.078 21.152 -1.830 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.571 23.882 -2.476 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.963 21.736 -3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.704 21.551 -4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.967 23.890 -4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.960 22.917 -5.642 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.055 25.537 -6.392 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.044 24.567 -7.460 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.091 25.882 -7.838 1.00 0.00 H new ATOM 379 N LEU A 27 -12.108 22.020 -1.564 1.00 0.00 N ATOM 380 CA LEU A 27 -13.515 22.051 -1.179 1.00 0.00 C ATOM 381 C LEU A 27 -13.722 22.924 0.055 1.00 0.00 C ATOM 382 O LEU A 27 -14.627 23.758 0.093 1.00 0.00 O ATOM 383 CB LEU A 27 -14.021 20.634 -0.906 1.00 0.00 C ATOM 384 CG LEU A 27 -14.287 19.768 -2.138 1.00 0.00 C ATOM 385 CD1 LEU A 27 -15.644 20.100 -2.741 1.00 0.00 C ATOM 386 CD2 LEU A 27 -13.184 19.954 -3.170 1.00 0.00 C ATOM 0 H LEU A 27 -11.636 21.137 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.083 22.480 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.291 20.123 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.943 20.704 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.295 18.723 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.816 19.474 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.425 19.915 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.664 21.149 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.390 19.330 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.144 21.000 -3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.227 19.666 -2.735 1.00 0.00 H new ATOM 398 N ILE A 28 -12.877 22.726 1.062 1.00 0.00 N ATOM 399 CA ILE A 28 -12.966 23.497 2.295 1.00 0.00 C ATOM 400 C ILE A 28 -13.022 24.993 2.006 1.00 0.00 C ATOM 401 O ILE A 28 -13.983 25.670 2.371 1.00 0.00 O ATOM 402 CB ILE A 28 -11.773 23.210 3.226 1.00 0.00 C ATOM 403 CG1 ILE A 28 -11.902 21.815 3.842 1.00 0.00 C ATOM 404 CG2 ILE A 28 -11.683 24.269 4.314 1.00 0.00 C ATOM 405 CD1 ILE A 28 -11.396 20.708 2.943 1.00 0.00 C ATOM 0 H ILE A 28 -12.124 22.038 1.047 1.00 0.00 H new ATOM 0 HA ILE A 28 -13.887 23.191 2.792 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.856 23.243 2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.351 21.789 4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.949 21.628 4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.835 24.052 4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.549 25.249 3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.601 24.265 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.519 19.748 3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -11.964 20.707 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.341 20.871 2.724 1.00 0.00 H new ATOM 417 N GLU A 29 -11.986 25.502 1.347 1.00 0.00 N ATOM 418 CA GLU A 29 -11.919 26.919 1.007 1.00 0.00 C ATOM 419 C GLU A 29 -13.006 27.290 0.003 1.00 0.00 C ATOM 420 O GLU A 29 -13.579 28.377 0.065 1.00 0.00 O ATOM 421 CB GLU A 29 -10.542 27.264 0.436 1.00 0.00 C ATOM 422 CG GLU A 29 -9.387 26.802 1.310 1.00 0.00 C ATOM 423 CD GLU A 29 -8.036 27.200 0.749 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.638 28.369 0.934 1.00 0.00 O ATOM 425 OE2 GLU A 29 -7.377 26.342 0.124 1.00 0.00 O ATOM 0 H GLU A 29 -11.182 24.955 1.038 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.081 27.493 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.443 26.812 -0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.474 28.343 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.500 27.224 2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.427 25.718 1.416 1.00 0.00 H new ATOM 432 N ASN A 30 -13.283 26.378 -0.924 1.00 0.00 N ATOM 433 CA ASN A 30 -14.301 26.609 -1.943 1.00 0.00 C ATOM 434 C ASN A 30 -15.241 25.413 -2.055 1.00 0.00 C ATOM 435 O ASN A 30 -15.104 24.564 -2.936 1.00 0.00 O ATOM 436 CB ASN A 30 -13.643 26.883 -3.297 1.00 0.00 C ATOM 437 CG ASN A 30 -12.354 27.671 -3.165 1.00 0.00 C ATOM 438 OD1 ASN A 30 -12.338 28.889 -3.344 1.00 0.00 O ATOM 439 ND2 ASN A 30 -11.266 26.978 -2.850 1.00 0.00 N ATOM 0 H ASN A 30 -12.817 25.473 -0.990 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.885 27.480 -1.646 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.437 25.936 -3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.338 27.433 -3.931 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.370 27.454 -2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.326 25.969 -2.711 1.00 0.00 H new ATOM 446 N PRO A 31 -16.219 25.342 -1.140 1.00 0.00 N ATOM 447 CA PRO A 31 -17.202 24.254 -1.115 1.00 0.00 C ATOM 448 C PRO A 31 -18.172 24.322 -2.290 1.00 0.00 C ATOM 449 O PRO A 31 -18.662 23.297 -2.764 1.00 0.00 O ATOM 450 CB PRO A 31 -17.945 24.478 0.205 1.00 0.00 C ATOM 451 CG PRO A 31 -17.789 25.933 0.486 1.00 0.00 C ATOM 452 CD PRO A 31 -16.441 26.318 -0.060 1.00 0.00 C ATOM 0 HA PRO A 31 -16.729 23.275 -1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.996 24.202 0.119 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.521 23.872 1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.582 26.510 0.010 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.848 26.132 1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.437 27.341 -0.436 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.666 26.256 0.703 1.00 0.00 H new ATOM 460 N LYS A 32 -18.445 25.536 -2.756 1.00 0.00 N ATOM 461 CA LYS A 32 -19.355 25.739 -3.877 1.00 0.00 C ATOM 462 C LYS A 32 -18.917 24.921 -5.088 1.00 0.00 C ATOM 463 O LYS A 32 -19.689 24.719 -6.026 1.00 0.00 O ATOM 464 CB LYS A 32 -19.419 27.223 -4.247 1.00 0.00 C ATOM 465 CG LYS A 32 -20.270 27.508 -5.472 1.00 0.00 C ATOM 466 CD LYS A 32 -19.452 27.424 -6.750 1.00 0.00 C ATOM 467 CE LYS A 32 -18.843 28.771 -7.111 1.00 0.00 C ATOM 468 NZ LYS A 32 -17.545 28.996 -6.416 1.00 0.00 N ATOM 0 H LYS A 32 -18.049 26.395 -2.374 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.347 25.404 -3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -19.816 27.783 -3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -18.408 27.589 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -21.093 26.795 -5.518 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -20.712 28.501 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -18.659 26.686 -6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -20.086 27.079 -7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -18.692 28.824 -8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -19.539 29.567 -6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.976 29.679 -6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.722 29.370 -5.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -17.029 28.096 -6.344 1.00 0.00 H new ATOM 482 N THR A 33 -17.674 24.451 -5.061 1.00 0.00 N ATOM 483 CA THR A 33 -17.134 23.655 -6.155 1.00 0.00 C ATOM 484 C THR A 33 -17.129 22.171 -5.806 1.00 0.00 C ATOM 485 O THR A 33 -16.486 21.752 -4.843 1.00 0.00 O ATOM 486 CB THR A 33 -15.700 24.091 -6.513 1.00 0.00 C ATOM 487 OG1 THR A 33 -15.661 25.504 -6.741 1.00 0.00 O ATOM 488 CG2 THR A 33 -15.205 23.359 -7.751 1.00 0.00 C ATOM 0 H THR A 33 -17.022 24.608 -4.292 1.00 0.00 H new ATOM 0 HA THR A 33 -17.782 23.821 -7.015 1.00 0.00 H new ATOM 0 HB THR A 33 -15.048 23.840 -5.677 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.746 25.774 -6.966 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.191 23.683 -7.984 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.209 22.285 -7.565 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.860 23.583 -8.593 1.00 0.00 H new ATOM 496 N SER A 34 -17.849 21.379 -6.594 1.00 0.00 N ATOM 497 CA SER A 34 -17.930 19.941 -6.366 1.00 0.00 C ATOM 498 C SER A 34 -16.539 19.314 -6.353 1.00 0.00 C ATOM 499 O SER A 34 -15.583 19.884 -6.881 1.00 0.00 O ATOM 500 CB SER A 34 -18.790 19.280 -7.444 1.00 0.00 C ATOM 501 OG SER A 34 -19.443 18.128 -6.940 1.00 0.00 O ATOM 0 H SER A 34 -18.385 21.709 -7.397 1.00 0.00 H new ATOM 0 HA SER A 34 -18.392 19.778 -5.392 1.00 0.00 H new ATOM 0 HB2 SER A 34 -19.531 19.991 -7.809 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.166 19.005 -8.294 1.00 0.00 H new ATOM 0 HG SER A 34 -19.988 17.725 -7.648 1.00 0.00 H new ATOM 507 N LEU A 35 -16.433 18.138 -5.745 1.00 0.00 N ATOM 508 CA LEU A 35 -15.160 17.431 -5.661 1.00 0.00 C ATOM 509 C LEU A 35 -14.579 17.191 -7.051 1.00 0.00 C ATOM 510 O LEU A 35 -13.368 17.046 -7.211 1.00 0.00 O ATOM 511 CB LEU A 35 -15.340 16.098 -4.934 1.00 0.00 C ATOM 512 CG LEU A 35 -15.933 14.957 -5.761 1.00 0.00 C ATOM 513 CD1 LEU A 35 -15.889 13.653 -4.979 1.00 0.00 C ATOM 514 CD2 LEU A 35 -17.360 15.284 -6.176 1.00 0.00 C ATOM 0 H LEU A 35 -17.214 17.653 -5.303 1.00 0.00 H new ATOM 0 HA LEU A 35 -14.464 18.053 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.369 15.779 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.981 16.263 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 35 -15.332 14.837 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -16.315 12.852 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.855 13.411 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -16.465 13.760 -4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.766 14.461 -6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.973 15.432 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -17.365 16.194 -6.775 1.00 0.00 H new ATOM 526 N GLU A 36 -15.452 17.151 -8.053 1.00 0.00 N ATOM 527 CA GLU A 36 -15.024 16.929 -9.429 1.00 0.00 C ATOM 528 C GLU A 36 -14.312 18.160 -9.983 1.00 0.00 C ATOM 529 O GLU A 36 -13.106 18.134 -10.231 1.00 0.00 O ATOM 530 CB GLU A 36 -16.226 16.582 -10.311 1.00 0.00 C ATOM 531 CG GLU A 36 -16.931 15.300 -9.901 1.00 0.00 C ATOM 532 CD GLU A 36 -18.369 15.246 -10.381 1.00 0.00 C ATOM 533 OE1 GLU A 36 -19.140 16.171 -10.051 1.00 0.00 O ATOM 534 OE2 GLU A 36 -18.722 14.279 -11.088 1.00 0.00 O ATOM 0 H GLU A 36 -16.459 17.269 -7.938 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.325 16.093 -9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.939 17.405 -10.279 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.893 16.489 -11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.386 14.446 -10.302 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.911 15.210 -8.815 1.00 0.00 H new ATOM 541 N ASP A 37 -15.066 19.237 -10.174 1.00 0.00 N ATOM 542 CA ASP A 37 -14.508 20.478 -10.698 1.00 0.00 C ATOM 543 C ASP A 37 -13.273 20.895 -9.906 1.00 0.00 C ATOM 544 O ASP A 37 -12.299 21.391 -10.472 1.00 0.00 O ATOM 545 CB ASP A 37 -15.556 21.591 -10.654 1.00 0.00 C ATOM 546 CG ASP A 37 -14.988 22.937 -11.060 1.00 0.00 C ATOM 547 OD1 ASP A 37 -13.910 23.304 -10.548 1.00 0.00 O ATOM 548 OD2 ASP A 37 -15.623 23.625 -11.887 1.00 0.00 O ATOM 0 H ASP A 37 -16.065 19.276 -9.974 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.213 20.307 -11.733 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.383 21.334 -11.316 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.965 21.661 -9.646 1.00 0.00 H new ATOM 553 N ALA A 38 -13.320 20.691 -8.594 1.00 0.00 N ATOM 554 CA ALA A 38 -12.204 21.044 -7.725 1.00 0.00 C ATOM 555 C ALA A 38 -10.960 20.235 -8.073 1.00 0.00 C ATOM 556 O ALA A 38 -9.869 20.787 -8.224 1.00 0.00 O ATOM 557 CB ALA A 38 -12.583 20.832 -6.267 1.00 0.00 C ATOM 0 H ALA A 38 -14.119 20.283 -8.109 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.975 22.098 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.740 21.099 -5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.439 21.459 -6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.841 19.785 -6.107 1.00 0.00 H new ATOM 563 N THR A 39 -11.129 18.922 -8.199 1.00 0.00 N ATOM 564 CA THR A 39 -10.018 18.037 -8.528 1.00 0.00 C ATOM 565 C THR A 39 -9.499 18.305 -9.936 1.00 0.00 C ATOM 566 O THR A 39 -8.299 18.492 -10.141 1.00 0.00 O ATOM 567 CB THR A 39 -10.429 16.557 -8.418 1.00 0.00 C ATOM 568 OG1 THR A 39 -10.992 16.299 -7.127 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.233 15.645 -8.646 1.00 0.00 C ATOM 0 H THR A 39 -12.024 18.448 -8.078 1.00 0.00 H new ATOM 0 HA THR A 39 -9.226 18.242 -7.807 1.00 0.00 H new ATOM 0 HB THR A 39 -11.174 16.352 -9.186 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.943 16.083 -7.222 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.548 14.605 -8.563 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.824 15.823 -9.641 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.469 15.853 -7.897 1.00 0.00 H new ATOM 577 N LEU A 40 -10.410 18.324 -10.903 1.00 0.00 N ATOM 578 CA LEU A 40 -10.043 18.570 -12.294 1.00 0.00 C ATOM 579 C LEU A 40 -8.941 19.620 -12.389 1.00 0.00 C ATOM 580 O LEU A 40 -8.112 19.582 -13.298 1.00 0.00 O ATOM 581 CB LEU A 40 -11.267 19.026 -13.091 1.00 0.00 C ATOM 582 CG LEU A 40 -12.158 17.915 -13.647 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.478 18.485 -14.140 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.445 17.170 -14.766 1.00 0.00 C ATOM 0 H LEU A 40 -11.407 18.172 -10.750 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.668 17.637 -12.716 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.875 19.666 -12.451 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.925 19.641 -13.924 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.369 17.209 -12.844 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.099 17.679 -14.532 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.995 18.972 -13.313 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.288 19.213 -14.929 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.094 16.383 -15.150 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.203 17.865 -15.570 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.526 16.727 -14.381 1.00 0.00 H new ATOM 596 N GLN A 41 -8.937 20.554 -11.442 1.00 0.00 N ATOM 597 CA GLN A 41 -7.935 21.612 -11.419 1.00 0.00 C ATOM 598 C GLN A 41 -6.679 21.158 -10.682 1.00 0.00 C ATOM 599 O GLN A 41 -5.560 21.415 -11.126 1.00 0.00 O ATOM 600 CB GLN A 41 -8.504 22.868 -10.756 1.00 0.00 C ATOM 601 CG GLN A 41 -9.381 23.699 -11.678 1.00 0.00 C ATOM 602 CD GLN A 41 -9.957 24.921 -10.990 1.00 0.00 C ATOM 603 OE1 GLN A 41 -9.354 25.994 -10.998 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.131 24.764 -10.390 1.00 0.00 N ATOM 0 H GLN A 41 -9.616 20.599 -10.682 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.665 21.844 -12.449 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.085 22.575 -9.882 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.680 23.485 -10.399 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.796 24.015 -12.542 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.196 23.080 -12.053 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.596 23.856 -10.408 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.568 25.551 -9.911 1.00 0.00 H new ATOM 613 N ILE A 42 -6.873 20.482 -9.554 1.00 0.00 N ATOM 614 CA ILE A 42 -5.757 19.992 -8.756 1.00 0.00 C ATOM 615 C ILE A 42 -4.858 19.071 -9.576 1.00 0.00 C ATOM 616 O ILE A 42 -3.646 19.029 -9.371 1.00 0.00 O ATOM 617 CB ILE A 42 -6.246 19.234 -7.508 1.00 0.00 C ATOM 618 CG1 ILE A 42 -7.148 20.133 -6.660 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.063 18.739 -6.691 1.00 0.00 C ATOM 620 CD1 ILE A 42 -8.005 19.372 -5.673 1.00 0.00 C ATOM 0 H ILE A 42 -7.793 20.262 -9.173 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.188 20.866 -8.440 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.826 18.369 -7.830 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.528 20.846 -6.116 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.795 20.711 -7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.425 18.205 -5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.457 18.068 -7.299 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.458 19.589 -6.375 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.618 20.073 -5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.651 18.678 -6.211 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.365 18.815 -4.989 1.00 0.00 H new ATOM 632 N GLU A 43 -5.462 18.338 -10.506 1.00 0.00 N ATOM 633 CA GLU A 43 -4.715 17.419 -11.357 1.00 0.00 C ATOM 634 C GLU A 43 -3.723 18.175 -12.235 1.00 0.00 C ATOM 635 O GLU A 43 -2.530 17.874 -12.243 1.00 0.00 O ATOM 636 CB GLU A 43 -5.673 16.607 -12.232 1.00 0.00 C ATOM 637 CG GLU A 43 -6.199 15.352 -11.556 1.00 0.00 C ATOM 638 CD GLU A 43 -6.772 14.354 -12.543 1.00 0.00 C ATOM 639 OE1 GLU A 43 -7.364 14.791 -13.552 1.00 0.00 O ATOM 640 OE2 GLU A 43 -6.628 13.136 -12.308 1.00 0.00 O ATOM 0 H GLU A 43 -6.465 18.363 -10.689 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.158 16.739 -10.713 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.516 17.237 -12.515 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.161 16.326 -13.153 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.392 14.880 -10.995 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.969 15.628 -10.835 1.00 0.00 H new ATOM 647 N GLU A 44 -4.227 19.159 -12.975 1.00 0.00 N ATOM 648 CA GLU A 44 -3.386 19.958 -13.858 1.00 0.00 C ATOM 649 C GLU A 44 -2.354 20.748 -13.059 1.00 0.00 C ATOM 650 O GLU A 44 -1.212 20.913 -13.490 1.00 0.00 O ATOM 651 CB GLU A 44 -4.244 20.913 -14.690 1.00 0.00 C ATOM 652 CG GLU A 44 -5.273 20.209 -15.557 1.00 0.00 C ATOM 653 CD GLU A 44 -6.090 21.174 -16.393 1.00 0.00 C ATOM 654 OE1 GLU A 44 -6.707 22.090 -15.810 1.00 0.00 O ATOM 655 OE2 GLU A 44 -6.112 21.014 -17.632 1.00 0.00 O ATOM 0 H GLU A 44 -5.213 19.421 -12.980 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.859 19.279 -14.528 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.757 21.604 -14.021 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.593 21.511 -15.327 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.766 19.503 -16.215 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.942 19.628 -14.922 1.00 0.00 H new ATOM 662 N LEU A 45 -2.764 21.234 -11.892 1.00 0.00 N ATOM 663 CA LEU A 45 -1.876 22.008 -11.032 1.00 0.00 C ATOM 664 C LEU A 45 -0.670 21.176 -10.604 1.00 0.00 C ATOM 665 O LEU A 45 0.322 21.712 -10.110 1.00 0.00 O ATOM 666 CB LEU A 45 -2.632 22.501 -9.797 1.00 0.00 C ATOM 667 CG LEU A 45 -1.795 22.707 -8.534 1.00 0.00 C ATOM 668 CD1 LEU A 45 -0.912 23.937 -8.674 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.694 22.830 -7.313 1.00 0.00 C ATOM 0 H LEU A 45 -3.705 21.106 -11.520 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.519 22.867 -11.600 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.116 23.445 -10.045 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.424 21.786 -9.571 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.152 21.837 -8.401 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.324 24.068 -7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.243 23.809 -9.525 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.536 24.817 -8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.081 22.976 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.362 23.682 -7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.284 21.920 -7.202 1.00 0.00 H new ATOM 681 N TRP A 46 -0.763 19.866 -10.800 1.00 0.00 N ATOM 682 CA TRP A 46 0.321 18.961 -10.437 1.00 0.00 C ATOM 683 C TRP A 46 1.303 18.797 -11.592 1.00 0.00 C ATOM 684 O TRP A 46 2.473 18.473 -11.384 1.00 0.00 O ATOM 685 CB TRP A 46 -0.240 17.597 -10.031 1.00 0.00 C ATOM 686 CG TRP A 46 0.775 16.496 -10.089 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.995 15.638 -11.129 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.705 16.133 -9.063 1.00 0.00 C ATOM 689 NE1 TRP A 46 2.006 14.764 -10.811 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.459 15.047 -9.549 1.00 0.00 C ATOM 691 CE3 TRP A 46 1.976 16.621 -7.782 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.464 14.443 -8.798 1.00 0.00 C ATOM 693 CZ3 TRP A 46 2.973 16.020 -7.037 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.708 14.941 -7.547 1.00 0.00 C ATOM 0 H TRP A 46 -1.577 19.407 -11.208 1.00 0.00 H new ATOM 0 HA TRP A 46 0.854 19.394 -9.590 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.637 17.662 -9.018 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.075 17.346 -10.685 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.454 15.646 -12.064 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.362 14.024 -11.416 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.416 17.453 -7.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.031 13.611 -9.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.189 16.388 -6.045 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.482 14.494 -6.941 1.00 0.00 H new ATOM 705 N LYS A 47 0.821 19.022 -12.809 1.00 0.00 N ATOM 706 CA LYS A 47 1.657 18.901 -13.998 1.00 0.00 C ATOM 707 C LYS A 47 2.423 20.194 -14.258 1.00 0.00 C ATOM 708 O LYS A 47 3.167 20.302 -15.234 1.00 0.00 O ATOM 709 CB LYS A 47 0.799 18.550 -15.216 1.00 0.00 C ATOM 710 CG LYS A 47 0.047 17.238 -15.072 1.00 0.00 C ATOM 711 CD LYS A 47 -0.955 17.044 -16.197 1.00 0.00 C ATOM 712 CE LYS A 47 -1.940 15.929 -15.880 1.00 0.00 C ATOM 713 NZ LYS A 47 -2.980 16.367 -14.909 1.00 0.00 N ATOM 0 H LYS A 47 -0.145 19.289 -12.998 1.00 0.00 H new ATOM 0 HA LYS A 47 2.377 18.101 -13.826 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.082 19.353 -15.389 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.438 18.498 -16.097 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.756 16.410 -15.068 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.472 17.218 -14.114 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.498 17.974 -16.366 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.426 16.812 -17.121 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.420 15.596 -16.800 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.401 15.073 -15.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.641 15.584 -14.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.526 16.645 -14.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.500 17.178 -15.300 1.00 0.00 H new ATOM 727 N THR A 48 2.238 21.174 -13.379 1.00 0.00 N ATOM 728 CA THR A 48 2.912 22.459 -13.513 1.00 0.00 C ATOM 729 C THR A 48 3.746 22.775 -12.277 1.00 0.00 C ATOM 730 O THR A 48 4.299 23.869 -12.151 1.00 0.00 O ATOM 731 CB THR A 48 1.904 23.601 -13.744 1.00 0.00 C ATOM 732 OG1 THR A 48 0.930 23.613 -12.695 1.00 0.00 O ATOM 733 CG2 THR A 48 1.208 23.444 -15.088 1.00 0.00 C ATOM 0 H THR A 48 1.626 21.102 -12.566 1.00 0.00 H new ATOM 0 HA THR A 48 3.568 22.382 -14.380 1.00 0.00 H new ATOM 0 HB THR A 48 2.450 24.545 -13.743 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.294 24.342 -12.848 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.501 24.261 -15.229 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.950 23.464 -15.886 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.674 22.494 -15.112 1.00 0.00 H new ATOM 741 N LEU A 49 3.833 21.812 -11.366 1.00 0.00 N ATOM 742 CA LEU A 49 4.601 21.988 -10.138 1.00 0.00 C ATOM 743 C LEU A 49 6.095 22.073 -10.438 1.00 0.00 C ATOM 744 O LEU A 49 6.511 22.006 -11.594 1.00 0.00 O ATOM 745 CB LEU A 49 4.328 20.833 -9.173 1.00 0.00 C ATOM 746 CG LEU A 49 3.072 20.962 -8.311 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.737 19.632 -7.654 1.00 0.00 C ATOM 748 CD2 LEU A 49 3.256 22.046 -7.260 1.00 0.00 C ATOM 0 H LEU A 49 3.382 20.902 -11.454 1.00 0.00 H new ATOM 0 HA LEU A 49 4.288 22.923 -9.673 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.254 19.912 -9.752 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.189 20.727 -8.512 1.00 0.00 H new ATOM 0 HG LEU A 49 2.240 21.246 -8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.840 19.743 -7.044 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.562 18.880 -8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.568 19.318 -7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.352 22.124 -6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.100 21.792 -6.619 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.448 23.000 -7.751 1.00 0.00 H new ATOM 760 N SER A 50 6.896 22.219 -9.387 1.00 0.00 N ATOM 761 CA SER A 50 8.343 22.315 -9.537 1.00 0.00 C ATOM 762 C SER A 50 8.991 20.936 -9.448 1.00 0.00 C ATOM 763 O SER A 50 8.482 20.043 -8.773 1.00 0.00 O ATOM 764 CB SER A 50 8.929 23.236 -8.466 1.00 0.00 C ATOM 765 OG SER A 50 8.851 24.594 -8.863 1.00 0.00 O ATOM 0 H SER A 50 6.567 22.273 -8.423 1.00 0.00 H new ATOM 0 HA SER A 50 8.554 22.734 -10.521 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.391 23.097 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.969 22.967 -8.280 1.00 0.00 H new ATOM 0 HG SER A 50 9.230 25.162 -8.161 1.00 0.00 H new ATOM 771 N GLU A 51 10.118 20.773 -10.134 1.00 0.00 N ATOM 772 CA GLU A 51 10.835 19.504 -10.133 1.00 0.00 C ATOM 773 C GLU A 51 10.894 18.914 -8.727 1.00 0.00 C ATOM 774 O GLU A 51 10.264 17.896 -8.444 1.00 0.00 O ATOM 775 CB GLU A 51 12.252 19.693 -10.679 1.00 0.00 C ATOM 776 CG GLU A 51 13.016 18.391 -10.853 1.00 0.00 C ATOM 777 CD GLU A 51 14.508 18.607 -11.018 1.00 0.00 C ATOM 778 OE1 GLU A 51 15.147 19.091 -10.060 1.00 0.00 O ATOM 779 OE2 GLU A 51 15.036 18.292 -12.105 1.00 0.00 O ATOM 0 H GLU A 51 10.554 21.504 -10.697 1.00 0.00 H new ATOM 0 HA GLU A 51 10.295 18.810 -10.777 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.197 20.203 -11.641 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.808 20.344 -10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.839 17.752 -9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.631 17.862 -11.725 1.00 0.00 H new ATOM 786 N GLU A 52 11.658 19.560 -7.852 1.00 0.00 N ATOM 787 CA GLU A 52 11.800 19.099 -6.476 1.00 0.00 C ATOM 788 C GLU A 52 10.445 18.717 -5.887 1.00 0.00 C ATOM 789 O GLU A 52 10.207 17.557 -5.553 1.00 0.00 O ATOM 790 CB GLU A 52 12.456 20.182 -5.617 1.00 0.00 C ATOM 791 CG GLU A 52 13.263 19.630 -4.453 1.00 0.00 C ATOM 792 CD GLU A 52 14.337 18.656 -4.898 1.00 0.00 C ATOM 793 OE1 GLU A 52 14.816 18.786 -6.044 1.00 0.00 O ATOM 794 OE2 GLU A 52 14.697 17.765 -4.101 1.00 0.00 O ATOM 0 H GLU A 52 12.188 20.404 -8.071 1.00 0.00 H new ATOM 0 HA GLU A 52 12.437 18.214 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.109 20.787 -6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.682 20.845 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.727 20.456 -3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.592 19.131 -3.755 1.00 0.00 H new ATOM 801 N GLU A 53 9.562 19.702 -5.763 1.00 0.00 N ATOM 802 CA GLU A 53 8.232 19.470 -5.213 1.00 0.00 C ATOM 803 C GLU A 53 7.710 18.094 -5.614 1.00 0.00 C ATOM 804 O GLU A 53 7.274 17.311 -4.770 1.00 0.00 O ATOM 805 CB GLU A 53 7.262 20.554 -5.688 1.00 0.00 C ATOM 806 CG GLU A 53 6.088 20.775 -4.749 1.00 0.00 C ATOM 807 CD GLU A 53 5.466 22.149 -4.907 1.00 0.00 C ATOM 808 OE1 GLU A 53 5.905 22.901 -5.802 1.00 0.00 O ATOM 809 OE2 GLU A 53 4.541 22.473 -4.133 1.00 0.00 O ATOM 0 H GLU A 53 9.743 20.668 -6.036 1.00 0.00 H new ATOM 0 HA GLU A 53 8.305 19.510 -4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.806 21.492 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.882 20.283 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.330 20.014 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.422 20.648 -3.719 1.00 0.00 H new ATOM 816 N LYS A 54 7.756 17.805 -6.911 1.00 0.00 N ATOM 817 CA LYS A 54 7.289 16.524 -7.427 1.00 0.00 C ATOM 818 C LYS A 54 8.080 15.371 -6.817 1.00 0.00 C ATOM 819 O LYS A 54 7.507 14.357 -6.415 1.00 0.00 O ATOM 820 CB LYS A 54 7.413 16.490 -8.952 1.00 0.00 C ATOM 821 CG LYS A 54 6.183 17.014 -9.673 1.00 0.00 C ATOM 822 CD LYS A 54 6.226 16.689 -11.157 1.00 0.00 C ATOM 823 CE LYS A 54 4.895 16.984 -11.831 1.00 0.00 C ATOM 824 NZ LYS A 54 4.829 16.410 -13.204 1.00 0.00 N ATOM 0 H LYS A 54 8.112 18.442 -7.624 1.00 0.00 H new ATOM 0 HA LYS A 54 6.241 16.409 -7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.279 17.081 -9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.601 15.465 -9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.287 16.579 -9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.113 18.093 -9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.014 17.271 -11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.479 15.637 -11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.084 16.576 -11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.744 18.062 -11.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.883 16.574 -13.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.543 16.867 -13.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.015 15.388 -13.162 1.00 0.00 H new ATOM 838 N LEU A 55 9.396 15.533 -6.749 1.00 0.00 N ATOM 839 CA LEU A 55 10.265 14.505 -6.185 1.00 0.00 C ATOM 840 C LEU A 55 9.866 14.181 -4.749 1.00 0.00 C ATOM 841 O LEU A 55 9.705 13.016 -4.386 1.00 0.00 O ATOM 842 CB LEU A 55 11.724 14.963 -6.230 1.00 0.00 C ATOM 843 CG LEU A 55 12.483 14.661 -7.522 1.00 0.00 C ATOM 844 CD1 LEU A 55 13.008 13.234 -7.512 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.590 14.895 -8.732 1.00 0.00 C ATOM 0 H LEU A 55 9.885 16.366 -7.077 1.00 0.00 H new ATOM 0 HA LEU A 55 10.155 13.602 -6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.751 16.039 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.256 14.495 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 55 13.334 15.338 -7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.545 13.038 -8.440 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.683 13.100 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.173 12.540 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.147 14.675 -9.643 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.719 14.243 -8.673 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.264 15.935 -8.748 1.00 0.00 H new ATOM 857 N LYS A 56 9.704 15.220 -3.937 1.00 0.00 N ATOM 858 CA LYS A 56 9.320 15.048 -2.541 1.00 0.00 C ATOM 859 C LYS A 56 8.117 14.118 -2.419 1.00 0.00 C ATOM 860 O LYS A 56 7.933 13.457 -1.396 1.00 0.00 O ATOM 861 CB LYS A 56 8.995 16.404 -1.909 1.00 0.00 C ATOM 862 CG LYS A 56 10.208 17.303 -1.742 1.00 0.00 C ATOM 863 CD LYS A 56 9.872 18.548 -0.938 1.00 0.00 C ATOM 864 CE LYS A 56 11.076 19.469 -0.809 1.00 0.00 C ATOM 865 NZ LYS A 56 10.884 20.485 0.262 1.00 0.00 N ATOM 0 H LYS A 56 9.833 16.191 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 56 10.160 14.599 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.256 16.915 -2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.537 16.240 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.005 16.751 -1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.585 17.593 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.053 19.083 -1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.525 18.259 0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.965 18.877 -0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.252 19.972 -1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.726 21.093 0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.050 21.067 0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.741 20.006 1.174 1.00 0.00 H new ATOM 879 N TYR A 57 7.303 14.069 -3.468 1.00 0.00 N ATOM 880 CA TYR A 57 6.118 13.220 -3.477 1.00 0.00 C ATOM 881 C TYR A 57 6.456 11.819 -3.977 1.00 0.00 C ATOM 882 O TYR A 57 6.020 10.822 -3.403 1.00 0.00 O ATOM 883 CB TYR A 57 5.029 13.838 -4.355 1.00 0.00 C ATOM 884 CG TYR A 57 4.106 14.773 -3.606 1.00 0.00 C ATOM 885 CD1 TYR A 57 2.993 14.288 -2.930 1.00 0.00 C ATOM 886 CD2 TYR A 57 4.346 16.141 -3.575 1.00 0.00 C ATOM 887 CE1 TYR A 57 2.147 15.138 -2.245 1.00 0.00 C ATOM 888 CE2 TYR A 57 3.506 16.999 -2.892 1.00 0.00 C ATOM 889 CZ TYR A 57 2.407 16.492 -2.229 1.00 0.00 C ATOM 890 OH TYR A 57 1.567 17.343 -1.547 1.00 0.00 O ATOM 0 H TYR A 57 7.442 14.607 -4.323 1.00 0.00 H new ATOM 0 HA TYR A 57 5.750 13.142 -2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.499 14.383 -5.173 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.438 13.039 -4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.786 13.228 -2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.205 16.541 -4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.286 14.744 -1.725 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.708 18.060 -2.877 1.00 0.00 H new ATOM 0 HH TYR A 57 0.879 17.681 -2.157 1.00 0.00 H new ATOM 900 N GLU A 58 7.237 11.753 -5.051 1.00 0.00 N ATOM 901 CA GLU A 58 7.633 10.475 -5.629 1.00 0.00 C ATOM 902 C GLU A 58 7.978 9.467 -4.537 1.00 0.00 C ATOM 903 O GLU A 58 7.519 8.326 -4.564 1.00 0.00 O ATOM 904 CB GLU A 58 8.831 10.661 -6.563 1.00 0.00 C ATOM 905 CG GLU A 58 8.466 11.261 -7.910 1.00 0.00 C ATOM 906 CD GLU A 58 9.677 11.501 -8.790 1.00 0.00 C ATOM 907 OE1 GLU A 58 10.618 10.682 -8.739 1.00 0.00 O ATOM 908 OE2 GLU A 58 9.684 12.508 -9.529 1.00 0.00 O ATOM 0 H GLU A 58 7.607 12.569 -5.538 1.00 0.00 H new ATOM 0 HA GLU A 58 6.790 10.089 -6.203 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.565 11.303 -6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.310 9.695 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.774 10.594 -8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.943 12.204 -7.753 1.00 0.00 H new ATOM 915 N GLU A 59 8.790 9.898 -3.577 1.00 0.00 N ATOM 916 CA GLU A 59 9.197 9.034 -2.476 1.00 0.00 C ATOM 917 C GLU A 59 8.030 8.176 -1.997 1.00 0.00 C ATOM 918 O GLU A 59 8.195 6.992 -1.699 1.00 0.00 O ATOM 919 CB GLU A 59 9.740 9.870 -1.315 1.00 0.00 C ATOM 920 CG GLU A 59 11.077 10.528 -1.611 1.00 0.00 C ATOM 921 CD GLU A 59 11.647 11.259 -0.411 1.00 0.00 C ATOM 922 OE1 GLU A 59 10.992 12.207 0.071 1.00 0.00 O ATOM 923 OE2 GLU A 59 12.746 10.883 0.047 1.00 0.00 O ATOM 0 H GLU A 59 9.179 10.840 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 59 9.985 8.374 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.013 10.642 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.845 9.232 -0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.786 9.768 -1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.957 11.230 -2.436 1.00 0.00 H new ATOM 930 N LYS A 60 6.849 8.781 -1.924 1.00 0.00 N ATOM 931 CA LYS A 60 5.653 8.075 -1.483 1.00 0.00 C ATOM 932 C LYS A 60 5.250 7.004 -2.491 1.00 0.00 C ATOM 933 O LYS A 60 5.067 5.840 -2.135 1.00 0.00 O ATOM 934 CB LYS A 60 4.499 9.060 -1.281 1.00 0.00 C ATOM 935 CG LYS A 60 4.572 9.822 0.030 1.00 0.00 C ATOM 936 CD LYS A 60 3.688 11.058 0.007 1.00 0.00 C ATOM 937 CE LYS A 60 2.218 10.695 0.143 1.00 0.00 C ATOM 938 NZ LYS A 60 1.813 10.542 1.568 1.00 0.00 N ATOM 0 H LYS A 60 6.695 9.760 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 60 5.878 7.589 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.492 9.773 -2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.556 8.515 -1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.266 9.170 0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.604 10.115 0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.975 11.727 0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.845 11.601 -0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.609 11.467 -0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.023 9.765 -0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.804 10.295 1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.377 9.788 2.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.975 11.437 2.073 1.00 0.00 H new ATOM 952 N ALA A 61 5.115 7.404 -3.751 1.00 0.00 N ATOM 953 CA ALA A 61 4.738 6.477 -4.811 1.00 0.00 C ATOM 954 C ALA A 61 5.698 5.294 -4.873 1.00 0.00 C ATOM 955 O ALA A 61 5.277 4.137 -4.849 1.00 0.00 O ATOM 956 CB ALA A 61 4.697 7.196 -6.151 1.00 0.00 C ATOM 0 H ALA A 61 5.261 8.364 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 61 3.743 6.093 -4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.414 6.492 -6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.966 8.004 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.681 7.609 -6.373 1.00 0.00 H new ATOM 962 N THR A 62 6.992 5.591 -4.954 1.00 0.00 N ATOM 963 CA THR A 62 8.011 4.552 -5.022 1.00 0.00 C ATOM 964 C THR A 62 7.934 3.626 -3.813 1.00 0.00 C ATOM 965 O THR A 62 8.032 2.406 -3.944 1.00 0.00 O ATOM 966 CB THR A 62 9.425 5.157 -5.101 1.00 0.00 C ATOM 967 OG1 THR A 62 10.398 4.114 -5.225 1.00 0.00 O ATOM 968 CG2 THR A 62 9.726 5.994 -3.868 1.00 0.00 C ATOM 0 H THR A 62 7.358 6.543 -4.974 1.00 0.00 H new ATOM 0 HA THR A 62 7.818 3.978 -5.928 1.00 0.00 H new ATOM 0 HB THR A 62 9.471 5.802 -5.978 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.294 4.507 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.730 6.411 -3.947 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.002 6.805 -3.793 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.662 5.367 -2.978 1.00 0.00 H new ATOM 976 N LYS A 63 7.757 4.214 -2.634 1.00 0.00 N ATOM 977 CA LYS A 63 7.665 3.442 -1.400 1.00 0.00 C ATOM 978 C LYS A 63 6.476 2.488 -1.443 1.00 0.00 C ATOM 979 O LYS A 63 6.450 1.482 -0.734 1.00 0.00 O ATOM 980 CB LYS A 63 7.537 4.379 -0.197 1.00 0.00 C ATOM 981 CG LYS A 63 7.661 3.671 1.141 1.00 0.00 C ATOM 982 CD LYS A 63 6.917 4.416 2.237 1.00 0.00 C ATOM 983 CE LYS A 63 7.811 5.438 2.922 1.00 0.00 C ATOM 984 NZ LYS A 63 7.063 6.247 3.924 1.00 0.00 N ATOM 0 H LYS A 63 7.674 5.223 -2.507 1.00 0.00 H new ATOM 0 HA LYS A 63 8.577 2.854 -1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.305 5.149 -0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.573 4.886 -0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.267 2.658 1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.713 3.582 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.048 4.918 1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.545 3.704 2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.638 4.925 3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.246 6.100 2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.708 6.932 4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.289 6.756 3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.669 5.619 4.653 1.00 0.00 H new ATOM 998 N ASP A 64 5.496 2.808 -2.280 1.00 0.00 N ATOM 999 CA ASP A 64 4.305 1.977 -2.418 1.00 0.00 C ATOM 1000 C ASP A 64 4.377 1.129 -3.684 1.00 0.00 C ATOM 1001 O ASP A 64 3.466 0.354 -3.978 1.00 0.00 O ATOM 1002 CB ASP A 64 3.049 2.849 -2.444 1.00 0.00 C ATOM 1003 CG ASP A 64 2.556 3.197 -1.053 1.00 0.00 C ATOM 1004 OD1 ASP A 64 3.106 4.140 -0.447 1.00 0.00 O ATOM 1005 OD2 ASP A 64 1.621 2.524 -0.570 1.00 0.00 O ATOM 0 H ASP A 64 5.502 3.637 -2.874 1.00 0.00 H new ATOM 0 HA ASP A 64 4.257 1.309 -1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.259 3.767 -2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.260 2.328 -2.986 1.00 0.00 H new ATOM 1010 N LEU A 65 5.465 1.282 -4.431 1.00 0.00 N ATOM 1011 CA LEU A 65 5.656 0.531 -5.667 1.00 0.00 C ATOM 1012 C LEU A 65 6.050 -0.912 -5.371 1.00 0.00 C ATOM 1013 O LEU A 65 5.716 -1.823 -6.128 1.00 0.00 O ATOM 1014 CB LEU A 65 6.729 1.197 -6.530 1.00 0.00 C ATOM 1015 CG LEU A 65 7.262 0.366 -7.698 1.00 0.00 C ATOM 1016 CD1 LEU A 65 6.250 0.328 -8.832 1.00 0.00 C ATOM 1017 CD2 LEU A 65 8.592 0.923 -8.186 1.00 0.00 C ATOM 0 H LEU A 65 6.228 1.919 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 65 4.711 0.527 -6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.322 2.127 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.568 1.465 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 65 7.424 -0.654 -7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.647 -0.268 -9.654 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.321 -0.118 -8.476 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.055 1.342 -9.180 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.956 0.319 -9.017 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.456 1.952 -8.518 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.318 0.897 -7.373 1.00 0.00 H new