USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 667 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 Single : A 15 HIS :FLIP no HD1:sc= 0.0246 F(o=-0.81,f=0.025) USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= -0.0846 (180deg=-0.301) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.3) USER MOD Single : A 35 GLN :FLIP amide:sc= -2.36! C(o=-4.4!,f=-2.4!) USER MOD Single : A 36 MET CE :methyl -173:sc= -3.54! (180deg=-3.75!) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0845) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.171 F(o=-2.9!,f=-0.17) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -167:sc= 0 (180deg=-0.0112) USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.0746 (180deg=-0.398) USER MOD Single : A 57 CYS SG : rot 77:sc= -1.16! USER MOD Single : A 59 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-0.62) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.562 F(o=-1.8,f=-0.56) USER MOD Single : A 67 LYS NZ :NH3+ 171:sc=-0.00457 (180deg=-0.0733) USER MOD Single : A 72 TYR OH : rot 74:sc= 1.26 USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= -2.22! (180deg=-2.23!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.443 K(o=-0.44,f=-1.3!) USER MOD Single : A 81 SER OG : rot 70:sc= 0.103 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 86 HIS : no HD1:sc= 0.818 K(o=0.82,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 10 1.139 -11.797 -8.543 1.00 0.00 N ATOM 115 CA VAL A 10 -0.073 -11.036 -8.325 1.00 0.00 C ATOM 116 C VAL A 10 0.246 -9.662 -7.752 1.00 0.00 C ATOM 117 O VAL A 10 1.097 -9.518 -6.870 1.00 0.00 O ATOM 118 CB VAL A 10 -1.054 -11.773 -7.392 1.00 0.00 C ATOM 119 CG1 VAL A 10 -1.713 -12.936 -8.119 1.00 0.00 C ATOM 120 CG2 VAL A 10 -0.343 -12.267 -6.145 1.00 0.00 C ATOM 0 HA VAL A 10 -0.553 -10.918 -9.297 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.828 -11.068 -7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.402 -13.444 -7.444 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.262 -12.561 -8.983 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.948 -13.638 -8.452 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.055 -12.784 -5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.455 -12.953 -6.429 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.082 -11.419 -5.608 1.00 0.00 H new ATOM 130 N ASP A 11 -0.437 -8.660 -8.267 1.00 0.00 N ATOM 131 CA ASP A 11 -0.241 -7.289 -7.828 1.00 0.00 C ATOM 132 C ASP A 11 -1.500 -6.782 -7.147 1.00 0.00 C ATOM 133 O ASP A 11 -2.613 -7.060 -7.599 1.00 0.00 O ATOM 134 CB ASP A 11 0.103 -6.368 -9.009 1.00 0.00 C ATOM 135 CG ASP A 11 1.381 -6.757 -9.734 1.00 0.00 C ATOM 136 OD1 ASP A 11 2.479 -6.382 -9.267 1.00 0.00 O ATOM 137 OD2 ASP A 11 1.294 -7.416 -10.793 1.00 0.00 O ATOM 0 H ASP A 11 -1.140 -8.769 -8.998 1.00 0.00 H new ATOM 0 HA ASP A 11 0.593 -7.277 -7.127 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.724 -6.377 -9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.199 -5.345 -8.645 1.00 0.00 H new ATOM 142 N VAL A 12 -1.334 -6.057 -6.056 1.00 0.00 N ATOM 143 CA VAL A 12 -2.467 -5.456 -5.375 1.00 0.00 C ATOM 144 C VAL A 12 -2.365 -3.935 -5.466 1.00 0.00 C ATOM 145 O VAL A 12 -1.269 -3.370 -5.384 1.00 0.00 O ATOM 146 CB VAL A 12 -2.581 -5.918 -3.898 1.00 0.00 C ATOM 147 CG1 VAL A 12 -1.854 -4.987 -2.948 1.00 0.00 C ATOM 148 CG2 VAL A 12 -4.036 -6.064 -3.489 1.00 0.00 C ATOM 0 H VAL A 12 -0.429 -5.870 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.377 -5.791 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.097 -6.892 -3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.963 -5.352 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.797 -4.952 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.279 -3.986 -3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.091 -6.389 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.542 -5.105 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.521 -6.804 -4.126 1.00 0.00 H new ATOM 158 N GLU A 13 -3.495 -3.279 -5.675 1.00 0.00 N ATOM 159 CA GLU A 13 -3.512 -1.847 -5.873 1.00 0.00 C ATOM 160 C GLU A 13 -3.999 -1.142 -4.618 1.00 0.00 C ATOM 161 O GLU A 13 -5.123 -1.356 -4.162 1.00 0.00 O ATOM 162 CB GLU A 13 -4.402 -1.476 -7.064 1.00 0.00 C ATOM 163 CG GLU A 13 -5.798 -2.073 -6.989 1.00 0.00 C ATOM 164 CD GLU A 13 -6.766 -1.420 -7.949 1.00 0.00 C ATOM 165 OE1 GLU A 13 -7.340 -0.374 -7.594 1.00 0.00 O ATOM 166 OE2 GLU A 13 -6.962 -1.949 -9.062 1.00 0.00 O ATOM 0 H GLU A 13 -4.413 -3.721 -5.711 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.494 -1.521 -6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.483 -0.391 -7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.922 -1.810 -7.984 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.744 -3.140 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.178 -1.972 -5.972 1.00 0.00 H new ATOM 173 N ILE A 14 -3.143 -0.324 -4.045 1.00 0.00 N ATOM 174 CA ILE A 14 -3.534 0.486 -2.916 1.00 0.00 C ATOM 175 C ILE A 14 -3.472 1.949 -3.308 1.00 0.00 C ATOM 176 O ILE A 14 -2.435 2.430 -3.758 1.00 0.00 O ATOM 177 CB ILE A 14 -2.630 0.246 -1.689 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.632 -1.243 -1.313 1.00 0.00 C ATOM 179 CG2 ILE A 14 -3.096 1.100 -0.520 1.00 0.00 C ATOM 180 CD1 ILE A 14 -1.914 -1.553 -0.013 1.00 0.00 C ATOM 0 H ILE A 14 -2.175 -0.204 -4.342 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.550 0.205 -2.638 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.609 0.535 -1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.664 -1.586 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.166 -1.811 -2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.451 0.922 0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.049 2.153 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.122 0.837 -0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.960 -2.624 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.872 -1.243 -0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.393 -1.015 0.805 1.00 0.00 H new ATOM 192 N HIS A 15 -4.576 2.655 -3.167 1.00 0.00 N ATOM 193 CA HIS A 15 -4.618 4.051 -3.559 1.00 0.00 C ATOM 194 C HIS A 15 -4.732 4.954 -2.349 1.00 0.00 C ATOM 195 O HIS A 15 -5.743 4.968 -1.651 1.00 0.00 O ATOM 196 CB HIS A 15 -5.770 4.309 -4.532 1.00 0.00 C ATOM 197 CG HIS A 15 -5.556 3.695 -5.879 1.00 0.00 C ATOM 198 ND1 HIS A 15 -4.716 4.035 -6.886 1.00 0.00 N flip ATOM 199 CD2 HIS A 15 -6.249 2.594 -6.322 1.00 0.00 C flip ATOM 200 CE1 HIS A 15 -4.917 3.134 -7.903 1.00 0.00 C flip ATOM 201 NE2 HIS A 15 -5.846 2.275 -7.534 1.00 0.00 N flip ATOM 0 H HIS A 15 -5.449 2.290 -2.787 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.682 4.282 -4.067 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.693 3.917 -4.104 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.904 5.384 -4.648 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.009 2.070 -5.761 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.398 3.130 -8.850 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -6.194 1.496 -8.093 1.00 0.00 H new ATOM 210 N PHE A 16 -3.678 5.698 -2.099 1.00 0.00 N ATOM 211 CA PHE A 16 -3.675 6.671 -1.035 1.00 0.00 C ATOM 212 C PHE A 16 -3.757 8.060 -1.623 1.00 0.00 C ATOM 213 O PHE A 16 -2.872 8.479 -2.366 1.00 0.00 O ATOM 214 CB PHE A 16 -2.413 6.556 -0.189 1.00 0.00 C ATOM 215 CG PHE A 16 -2.325 5.308 0.639 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.452 4.754 1.219 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.099 4.702 0.854 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.360 3.619 1.998 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.001 3.565 1.629 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.132 3.023 2.202 1.00 0.00 C ATOM 0 H PHE A 16 -2.805 5.645 -2.625 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.537 6.482 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.545 6.601 -0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.356 7.420 0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.415 5.215 1.060 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.209 5.124 0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.247 3.198 2.447 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.039 3.100 1.787 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.057 2.133 2.810 1.00 0.00 H new ATOM 230 N PRO A 17 -4.833 8.781 -1.320 1.00 0.00 N ATOM 231 CA PRO A 17 -4.992 10.161 -1.759 1.00 0.00 C ATOM 232 C PRO A 17 -3.850 11.020 -1.242 1.00 0.00 C ATOM 233 O PRO A 17 -3.643 11.137 -0.029 1.00 0.00 O ATOM 234 CB PRO A 17 -6.315 10.593 -1.142 1.00 0.00 C ATOM 235 CG PRO A 17 -7.030 9.332 -0.829 1.00 0.00 C ATOM 236 CD PRO A 17 -5.975 8.318 -0.524 1.00 0.00 C ATOM 0 HA PRO A 17 -4.983 10.263 -2.844 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.154 11.188 -0.243 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.889 11.210 -1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.699 9.465 0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.644 9.013 -1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.740 8.288 0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.286 7.313 -0.810 1.00 0.00 H new ATOM 244 N LEU A 18 -3.130 11.616 -2.180 1.00 0.00 N ATOM 245 CA LEU A 18 -1.860 12.275 -1.915 1.00 0.00 C ATOM 246 C LEU A 18 -1.946 13.299 -0.783 1.00 0.00 C ATOM 247 O LEU A 18 -1.024 13.413 0.027 1.00 0.00 O ATOM 248 CB LEU A 18 -1.361 12.932 -3.207 1.00 0.00 C ATOM 249 CG LEU A 18 -0.009 13.639 -3.123 1.00 0.00 C ATOM 250 CD1 LEU A 18 1.045 12.726 -2.524 1.00 0.00 C ATOM 251 CD2 LEU A 18 0.425 14.088 -4.504 1.00 0.00 C ATOM 0 H LEU A 18 -3.415 11.656 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.151 11.517 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.300 12.166 -3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.107 13.656 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.118 14.509 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.998 13.253 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.742 12.430 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.153 11.838 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.390 14.591 -4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.513 13.220 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.315 14.776 -4.912 1.00 0.00 H new ATOM 263 N LYS A 19 -3.037 14.047 -0.721 1.00 0.00 N ATOM 264 CA LYS A 19 -3.163 15.076 0.301 1.00 0.00 C ATOM 265 C LYS A 19 -3.558 14.512 1.667 1.00 0.00 C ATOM 266 O LYS A 19 -3.202 15.084 2.693 1.00 0.00 O ATOM 267 CB LYS A 19 -4.114 16.201 -0.122 1.00 0.00 C ATOM 268 CG LYS A 19 -5.461 15.758 -0.668 1.00 0.00 C ATOM 269 CD LYS A 19 -6.314 16.975 -1.008 1.00 0.00 C ATOM 270 CE LYS A 19 -7.670 16.600 -1.574 1.00 0.00 C ATOM 271 NZ LYS A 19 -8.318 15.501 -0.814 1.00 0.00 N ATOM 0 H LYS A 19 -3.834 13.965 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.167 15.505 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.287 16.848 0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.617 16.806 -0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.318 15.145 -1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.974 15.138 0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.454 17.578 -0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.783 17.596 -1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.319 17.476 -1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.555 16.299 -2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.318 15.429 -1.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.835 14.604 -1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.256 15.700 0.205 1.00 0.00 H new ATOM 285 N ARG A 20 -4.277 13.394 1.700 1.00 0.00 N ATOM 286 CA ARG A 20 -4.721 12.847 2.984 1.00 0.00 C ATOM 287 C ARG A 20 -3.600 12.047 3.637 1.00 0.00 C ATOM 288 O ARG A 20 -3.390 12.126 4.845 1.00 0.00 O ATOM 289 CB ARG A 20 -5.918 11.908 2.820 1.00 0.00 C ATOM 290 CG ARG A 20 -6.910 12.292 1.742 1.00 0.00 C ATOM 291 CD ARG A 20 -7.721 13.527 2.075 1.00 0.00 C ATOM 292 NE ARG A 20 -8.438 13.417 3.343 1.00 0.00 N ATOM 293 CZ ARG A 20 -8.476 14.375 4.270 1.00 0.00 C ATOM 294 NH1 ARG A 20 -7.779 15.491 4.113 1.00 0.00 N ATOM 295 NH2 ARG A 20 -9.217 14.216 5.356 1.00 0.00 N ATOM 0 H ARG A 20 -4.560 12.859 0.879 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.006 13.698 3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.544 10.907 2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.447 11.853 3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.372 12.462 0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.589 11.457 1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.057 14.391 2.114 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.437 13.711 1.274 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.943 12.551 3.532 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.208 15.622 3.278 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.814 16.219 4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.758 13.361 5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.246 14.949 6.065 1.00 0.00 H new ATOM 309 N ILE A 21 -2.854 11.311 2.818 1.00 0.00 N ATOM 310 CA ILE A 21 -1.820 10.411 3.320 1.00 0.00 C ATOM 311 C ILE A 21 -0.643 11.199 3.889 1.00 0.00 C ATOM 312 O ILE A 21 0.040 10.734 4.793 1.00 0.00 O ATOM 313 CB ILE A 21 -1.327 9.444 2.219 1.00 0.00 C ATOM 314 CG1 ILE A 21 -0.347 8.409 2.789 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.681 10.212 1.073 1.00 0.00 C ATOM 316 CD1 ILE A 21 -0.935 7.541 3.882 1.00 0.00 C ATOM 0 H ILE A 21 -2.946 11.320 1.802 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.266 9.818 4.119 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.196 8.912 1.832 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.001 7.769 1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.527 8.929 3.182 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.342 9.511 0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.409 10.897 0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.171 10.779 1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.181 6.836 4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.257 8.170 4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.791 6.991 3.489 1.00 0.00 H new ATOM 328 N ALA A 22 -0.428 12.400 3.367 1.00 0.00 N ATOM 329 CA ALA A 22 0.657 13.250 3.834 1.00 0.00 C ATOM 330 C ALA A 22 0.324 13.857 5.191 1.00 0.00 C ATOM 331 O ALA A 22 1.214 14.240 5.948 1.00 0.00 O ATOM 332 CB ALA A 22 0.940 14.348 2.817 1.00 0.00 C ATOM 0 H ALA A 22 -0.991 12.806 2.620 1.00 0.00 H new ATOM 0 HA ALA A 22 1.550 12.636 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.754 14.977 3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.224 13.898 1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.045 14.955 2.679 1.00 0.00 H new ATOM 338 N ALA A 23 -0.962 13.914 5.500 1.00 0.00 N ATOM 339 CA ALA A 23 -1.432 14.523 6.734 1.00 0.00 C ATOM 340 C ALA A 23 -1.439 13.506 7.868 1.00 0.00 C ATOM 341 O ALA A 23 -1.080 12.345 7.675 1.00 0.00 O ATOM 342 CB ALA A 23 -2.825 15.102 6.529 1.00 0.00 C ATOM 0 H ALA A 23 -1.704 13.542 4.907 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.751 15.329 7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.170 15.556 7.458 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.793 15.858 5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.511 14.306 6.238 1.00 0.00 H new ATOM 348 N GLU A 24 -1.851 13.945 9.050 1.00 0.00 N ATOM 349 CA GLU A 24 -1.881 13.074 10.214 1.00 0.00 C ATOM 350 C GLU A 24 -3.320 12.886 10.683 1.00 0.00 C ATOM 351 O GLU A 24 -3.589 12.498 11.820 1.00 0.00 O ATOM 352 CB GLU A 24 -0.992 13.633 11.330 1.00 0.00 C ATOM 353 CG GLU A 24 -0.760 12.652 12.468 1.00 0.00 C ATOM 354 CD GLU A 24 0.365 13.067 13.384 1.00 0.00 C ATOM 355 OE1 GLU A 24 0.227 14.090 14.082 1.00 0.00 O ATOM 356 OE2 GLU A 24 1.395 12.366 13.414 1.00 0.00 O ATOM 0 H GLU A 24 -2.168 14.898 9.226 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.483 12.097 9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.030 13.921 10.907 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.449 14.539 11.729 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.677 12.555 13.049 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.539 11.668 12.053 1.00 0.00 H new ATOM 363 N GLY A 25 -4.244 13.188 9.785 1.00 0.00 N ATOM 364 CA GLY A 25 -5.638 12.867 10.000 1.00 0.00 C ATOM 365 C GLY A 25 -6.084 11.844 8.985 1.00 0.00 C ATOM 366 O GLY A 25 -7.264 11.738 8.654 1.00 0.00 O ATOM 0 H GLY A 25 -4.049 13.656 8.900 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.781 12.480 11.009 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.246 13.767 9.915 1.00 0.00 H new ATOM 370 N TYR A 26 -5.110 11.087 8.506 1.00 0.00 N ATOM 371 CA TYR A 26 -5.301 10.156 7.409 1.00 0.00 C ATOM 372 C TYR A 26 -6.139 8.947 7.833 1.00 0.00 C ATOM 373 O TYR A 26 -6.938 8.434 7.056 1.00 0.00 O ATOM 374 CB TYR A 26 -3.936 9.701 6.877 1.00 0.00 C ATOM 375 CG TYR A 26 -3.073 9.022 7.929 1.00 0.00 C ATOM 376 CD1 TYR A 26 -2.290 9.775 8.793 1.00 0.00 C ATOM 377 CD2 TYR A 26 -3.056 7.640 8.075 1.00 0.00 C ATOM 378 CE1 TYR A 26 -1.514 9.177 9.766 1.00 0.00 C ATOM 379 CE2 TYR A 26 -2.287 7.034 9.051 1.00 0.00 C ATOM 380 CZ TYR A 26 -1.518 7.806 9.893 1.00 0.00 C ATOM 381 OH TYR A 26 -0.752 7.207 10.869 1.00 0.00 O ATOM 0 H TYR A 26 -4.158 11.103 8.871 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.848 10.669 6.618 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.089 9.014 6.045 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.402 10.565 6.482 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.288 10.851 8.702 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.654 7.029 7.415 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.907 9.781 10.424 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.289 5.959 9.153 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.868 6.235 10.825 1.00 0.00 H new ATOM 391 N ALA A 27 -5.967 8.508 9.076 1.00 0.00 N ATOM 392 CA ALA A 27 -6.692 7.348 9.582 1.00 0.00 C ATOM 393 C ALA A 27 -8.139 7.717 9.887 1.00 0.00 C ATOM 394 O ALA A 27 -9.006 6.853 10.022 1.00 0.00 O ATOM 395 CB ALA A 27 -6.006 6.788 10.818 1.00 0.00 C ATOM 0 H ALA A 27 -5.333 8.937 9.750 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.691 6.575 8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.561 5.923 11.182 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.989 6.487 10.565 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.975 7.552 11.595 1.00 0.00 H new ATOM 401 N GLU A 28 -8.385 9.014 9.996 1.00 0.00 N ATOM 402 CA GLU A 28 -9.731 9.528 10.184 1.00 0.00 C ATOM 403 C GLU A 28 -10.356 9.833 8.828 1.00 0.00 C ATOM 404 O GLU A 28 -11.514 10.239 8.737 1.00 0.00 O ATOM 405 CB GLU A 28 -9.721 10.794 11.051 1.00 0.00 C ATOM 406 CG GLU A 28 -9.395 10.553 12.521 1.00 0.00 C ATOM 407 CD GLU A 28 -7.969 10.104 12.756 1.00 0.00 C ATOM 408 OE1 GLU A 28 -7.045 10.931 12.592 1.00 0.00 O ATOM 409 OE2 GLU A 28 -7.761 8.925 13.113 1.00 0.00 O ATOM 0 H GLU A 28 -7.663 9.734 9.957 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.322 8.769 10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.993 11.494 10.641 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.698 11.273 10.983 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.576 11.471 13.080 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.075 9.799 12.917 1.00 0.00 H new ATOM 416 N ASP A 29 -9.577 9.625 7.775 1.00 0.00 N ATOM 417 CA ASP A 29 -10.036 9.879 6.419 1.00 0.00 C ATOM 418 C ASP A 29 -10.669 8.635 5.815 1.00 0.00 C ATOM 419 O ASP A 29 -9.999 7.623 5.587 1.00 0.00 O ATOM 420 CB ASP A 29 -8.886 10.353 5.535 1.00 0.00 C ATOM 421 CG ASP A 29 -9.301 10.452 4.085 1.00 0.00 C ATOM 422 OD1 ASP A 29 -10.075 11.374 3.750 1.00 0.00 O ATOM 423 OD2 ASP A 29 -8.875 9.605 3.283 1.00 0.00 O ATOM 0 H ASP A 29 -8.619 9.279 7.836 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.789 10.665 6.470 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.538 11.326 5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.047 9.663 5.627 1.00 0.00 H new ATOM 428 N GLU A 30 -11.962 8.745 5.527 1.00 0.00 N ATOM 429 CA GLU A 30 -12.757 7.628 5.046 1.00 0.00 C ATOM 430 C GLU A 30 -12.176 7.041 3.770 1.00 0.00 C ATOM 431 O GLU A 30 -12.307 5.849 3.518 1.00 0.00 O ATOM 432 CB GLU A 30 -14.193 8.091 4.792 1.00 0.00 C ATOM 433 CG GLU A 30 -15.127 6.980 4.344 1.00 0.00 C ATOM 434 CD GLU A 30 -16.501 7.493 3.983 1.00 0.00 C ATOM 435 OE1 GLU A 30 -17.255 7.877 4.900 1.00 0.00 O ATOM 436 OE2 GLU A 30 -16.838 7.508 2.780 1.00 0.00 O ATOM 0 H GLU A 30 -12.486 9.615 5.622 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.747 6.851 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.587 8.538 5.705 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.183 8.873 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.695 6.471 3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.216 6.241 5.140 1.00 0.00 H new ATOM 443 N LEU A 31 -11.502 7.869 2.987 1.00 0.00 N ATOM 444 CA LEU A 31 -10.999 7.455 1.710 1.00 0.00 C ATOM 445 C LEU A 31 -9.855 6.478 1.926 1.00 0.00 C ATOM 446 O LEU A 31 -9.825 5.409 1.328 1.00 0.00 O ATOM 447 CB LEU A 31 -10.562 8.699 0.929 1.00 0.00 C ATOM 448 CG LEU A 31 -10.267 8.510 -0.557 1.00 0.00 C ATOM 449 CD1 LEU A 31 -11.324 7.648 -1.207 1.00 0.00 C ATOM 450 CD2 LEU A 31 -10.213 9.862 -1.248 1.00 0.00 C ATOM 0 H LEU A 31 -11.295 8.839 3.227 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.765 6.945 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.343 9.453 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.668 9.102 1.404 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.303 8.012 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.094 7.526 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.343 6.670 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.298 8.124 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.002 9.721 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.172 10.368 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.426 10.469 -0.799 1.00 0.00 H new ATOM 462 N LEU A 32 -8.974 6.801 2.869 1.00 0.00 N ATOM 463 CA LEU A 32 -7.860 5.945 3.192 1.00 0.00 C ATOM 464 C LEU A 32 -8.379 4.627 3.747 1.00 0.00 C ATOM 465 O LEU A 32 -7.866 3.548 3.438 1.00 0.00 O ATOM 466 CB LEU A 32 -6.977 6.629 4.226 1.00 0.00 C ATOM 467 CG LEU A 32 -5.499 6.329 4.081 1.00 0.00 C ATOM 468 CD1 LEU A 32 -4.864 7.277 3.077 1.00 0.00 C ATOM 469 CD2 LEU A 32 -4.804 6.401 5.425 1.00 0.00 C ATOM 0 H LEU A 32 -9.020 7.658 3.421 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.275 5.751 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.125 7.707 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.301 6.325 5.221 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.383 5.313 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.802 7.050 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.348 7.158 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.986 8.305 3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.744 6.182 5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.921 7.401 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.247 5.671 6.103 1.00 0.00 H new ATOM 481 N LEU A 33 -9.423 4.742 4.556 1.00 0.00 N ATOM 482 CA LEU A 33 -10.068 3.595 5.168 1.00 0.00 C ATOM 483 C LEU A 33 -10.731 2.706 4.122 1.00 0.00 C ATOM 484 O LEU A 33 -10.663 1.485 4.208 1.00 0.00 O ATOM 485 CB LEU A 33 -11.108 4.061 6.170 1.00 0.00 C ATOM 486 CG LEU A 33 -10.822 3.689 7.625 1.00 0.00 C ATOM 487 CD1 LEU A 33 -10.844 2.180 7.810 1.00 0.00 C ATOM 488 CD2 LEU A 33 -9.483 4.261 8.067 1.00 0.00 C ATOM 0 H LEU A 33 -9.845 5.636 4.805 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.301 3.011 5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.197 5.145 6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.074 3.643 5.888 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.606 4.120 8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.638 1.938 8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.826 1.794 7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.084 1.724 7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.295 3.987 9.105 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.690 3.859 7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.504 5.347 7.977 1.00 0.00 H new ATOM 500 N ASN A 34 -11.384 3.324 3.150 1.00 0.00 N ATOM 501 CA ASN A 34 -12.054 2.580 2.092 1.00 0.00 C ATOM 502 C ASN A 34 -11.058 1.730 1.323 1.00 0.00 C ATOM 503 O ASN A 34 -11.266 0.531 1.149 1.00 0.00 O ATOM 504 CB ASN A 34 -12.789 3.523 1.130 1.00 0.00 C ATOM 505 CG ASN A 34 -14.010 4.175 1.753 1.00 0.00 C ATOM 506 OD1 ASN A 34 -14.676 3.591 2.609 1.00 0.00 O ATOM 507 ND2 ASN A 34 -14.313 5.394 1.329 1.00 0.00 N ATOM 0 H ASN A 34 -11.465 4.338 3.071 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.789 1.927 2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.101 4.299 0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.094 2.964 0.245 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.122 5.881 1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.737 5.845 0.618 1.00 0.00 H new ATOM 514 N GLN A 35 -9.954 2.340 0.907 1.00 0.00 N ATOM 515 CA GLN A 35 -8.962 1.629 0.098 1.00 0.00 C ATOM 516 C GLN A 35 -8.320 0.495 0.890 1.00 0.00 C ATOM 517 O GLN A 35 -8.198 -0.631 0.400 1.00 0.00 O ATOM 518 CB GLN A 35 -7.864 2.571 -0.409 1.00 0.00 C ATOM 519 CG GLN A 35 -8.230 3.363 -1.659 1.00 0.00 C ATOM 520 CD GLN A 35 -9.182 4.505 -1.397 1.00 0.00 C ATOM 521 OE1 GLN A 35 -8.644 5.660 -1.027 1.00 0.00 O flip ATOM 522 NE2 GLN A 35 -10.400 4.345 -1.498 1.00 0.00 N flip ATOM 0 H GLN A 35 -9.722 3.312 1.111 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.494 1.217 -0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.609 3.271 0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.969 1.985 -0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.319 3.757 -2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.678 2.688 -2.388 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.773 3.440 -1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.034 5.117 -1.294 1.00 0.00 H new ATOM 531 N MET A 36 -7.947 0.783 2.132 1.00 0.00 N ATOM 532 CA MET A 36 -7.304 -0.215 2.974 1.00 0.00 C ATOM 533 C MET A 36 -8.309 -0.876 3.900 1.00 0.00 C ATOM 534 O MET A 36 -7.957 -1.385 4.961 1.00 0.00 O ATOM 535 CB MET A 36 -6.144 0.386 3.763 1.00 0.00 C ATOM 536 CG MET A 36 -4.924 0.631 2.896 1.00 0.00 C ATOM 537 SD MET A 36 -4.403 -0.847 2.006 1.00 0.00 S ATOM 538 CE MET A 36 -3.854 -1.905 3.338 1.00 0.00 C ATOM 0 H MET A 36 -8.078 1.693 2.574 1.00 0.00 H new ATOM 0 HA MET A 36 -6.894 -0.984 2.319 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.462 1.327 4.213 1.00 0.00 H new ATOM 0 HB3 MET A 36 -5.878 -0.284 4.580 1.00 0.00 H new ATOM 0 HG2 MET A 36 -5.144 1.424 2.181 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.103 0.984 3.520 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.391 -2.801 2.924 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.127 -1.371 3.951 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.708 -2.189 3.953 1.00 0.00 H new ATOM 548 N GLY A 37 -9.571 -0.793 3.515 1.00 0.00 N ATOM 549 CA GLY A 37 -10.586 -1.656 4.075 1.00 0.00 C ATOM 550 C GLY A 37 -10.921 -2.753 3.090 1.00 0.00 C ATOM 551 O GLY A 37 -11.225 -3.886 3.468 1.00 0.00 O ATOM 0 H GLY A 37 -9.913 -0.134 2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.233 -2.089 5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.480 -1.078 4.309 1.00 0.00 H new ATOM 555 N LYS A 38 -10.861 -2.399 1.811 1.00 0.00 N ATOM 556 CA LYS A 38 -10.973 -3.367 0.731 1.00 0.00 C ATOM 557 C LYS A 38 -9.750 -4.268 0.731 1.00 0.00 C ATOM 558 O LYS A 38 -9.836 -5.455 1.046 1.00 0.00 O ATOM 559 CB LYS A 38 -11.066 -2.650 -0.611 1.00 0.00 C ATOM 560 CG LYS A 38 -12.180 -1.620 -0.692 1.00 0.00 C ATOM 561 CD LYS A 38 -13.549 -2.235 -0.454 1.00 0.00 C ATOM 562 CE LYS A 38 -14.619 -1.161 -0.320 1.00 0.00 C ATOM 563 NZ LYS A 38 -14.694 -0.290 -1.520 1.00 0.00 N ATOM 0 H LYS A 38 -10.734 -1.437 1.497 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.874 -3.962 0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.115 -2.157 -0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.214 -3.391 -1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.002 -0.837 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.163 -1.145 -1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.800 -2.901 -1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.525 -2.843 0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.587 -1.634 -0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.410 -0.550 0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.539 0.313 -1.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.845 0.308 -1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.751 -0.880 -2.374 1.00 0.00 H new ATOM 577 N VAL A 39 -8.606 -3.678 0.395 1.00 0.00 N ATOM 578 CA VAL A 39 -7.332 -4.380 0.421 1.00 0.00 C ATOM 579 C VAL A 39 -6.879 -4.512 1.866 1.00 0.00 C ATOM 580 O VAL A 39 -6.018 -3.775 2.342 1.00 0.00 O ATOM 581 CB VAL A 39 -6.268 -3.625 -0.408 1.00 0.00 C ATOM 582 CG1 VAL A 39 -4.898 -4.280 -0.299 1.00 0.00 C ATOM 583 CG2 VAL A 39 -6.700 -3.538 -1.863 1.00 0.00 C ATOM 0 H VAL A 39 -8.539 -2.704 0.099 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.456 -5.368 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.183 -2.618 0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.178 -3.720 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.579 -4.285 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.954 -5.305 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.942 -3.004 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.820 -4.543 -2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.648 -3.005 -1.930 1.00 0.00 H new ATOM 593 N ASN A 40 -7.499 -5.434 2.576 1.00 0.00 N ATOM 594 CA ASN A 40 -7.300 -5.538 4.003 1.00 0.00 C ATOM 595 C ASN A 40 -7.992 -6.761 4.554 1.00 0.00 C ATOM 596 O ASN A 40 -7.454 -7.465 5.399 1.00 0.00 O ATOM 597 CB ASN A 40 -7.864 -4.300 4.663 1.00 0.00 C ATOM 598 CG ASN A 40 -7.525 -4.223 6.132 1.00 0.00 C ATOM 599 OD1 ASN A 40 -6.321 -3.786 6.419 1.00 0.00 O flip ATOM 600 ND2 ASN A 40 -8.321 -4.586 6.996 1.00 0.00 N flip ATOM 0 H ASN A 40 -8.144 -6.121 2.185 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.233 -5.627 4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.478 -3.415 4.157 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.947 -4.289 4.542 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.247 -4.919 6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.055 -4.554 7.980 1.00 0.00 H new ATOM 607 N ASP A 41 -9.190 -7.009 4.071 1.00 0.00 N ATOM 608 CA ASP A 41 -9.951 -8.152 4.538 1.00 0.00 C ATOM 609 C ASP A 41 -9.306 -9.441 4.043 1.00 0.00 C ATOM 610 O ASP A 41 -9.210 -10.423 4.776 1.00 0.00 O ATOM 611 CB ASP A 41 -11.402 -8.066 4.071 1.00 0.00 C ATOM 612 CG ASP A 41 -12.238 -9.223 4.575 1.00 0.00 C ATOM 613 OD1 ASP A 41 -12.508 -9.278 5.791 1.00 0.00 O ATOM 614 OD2 ASP A 41 -12.636 -10.081 3.761 1.00 0.00 O ATOM 0 H ASP A 41 -9.656 -6.442 3.362 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.948 -8.150 5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.837 -7.128 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.430 -8.048 2.982 1.00 0.00 H new ATOM 619 N THR A 42 -8.849 -9.420 2.798 1.00 0.00 N ATOM 620 CA THR A 42 -8.135 -10.551 2.219 1.00 0.00 C ATOM 621 C THR A 42 -6.991 -10.080 1.315 1.00 0.00 C ATOM 622 O THR A 42 -7.029 -10.272 0.100 1.00 0.00 O ATOM 623 CB THR A 42 -9.085 -11.458 1.414 1.00 0.00 C ATOM 624 OG1 THR A 42 -10.008 -10.655 0.663 1.00 0.00 O ATOM 625 CG2 THR A 42 -9.848 -12.401 2.333 1.00 0.00 C ATOM 0 H THR A 42 -8.961 -8.627 2.166 1.00 0.00 H new ATOM 0 HA THR A 42 -7.718 -11.124 3.047 1.00 0.00 H new ATOM 0 HB THR A 42 -8.486 -12.058 0.729 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.608 -11.238 0.152 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.511 -13.030 1.739 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.142 -13.029 2.877 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.437 -11.820 3.042 1.00 0.00 H new ATOM 633 N PRO A 43 -5.950 -9.458 1.893 1.00 0.00 N ATOM 634 CA PRO A 43 -4.825 -8.928 1.133 1.00 0.00 C ATOM 635 C PRO A 43 -3.713 -9.955 0.951 1.00 0.00 C ATOM 636 O PRO A 43 -2.538 -9.594 0.849 1.00 0.00 O ATOM 637 CB PRO A 43 -4.357 -7.776 2.015 1.00 0.00 C ATOM 638 CG PRO A 43 -4.628 -8.233 3.408 1.00 0.00 C ATOM 639 CD PRO A 43 -5.776 -9.219 3.337 1.00 0.00 C ATOM 0 HA PRO A 43 -5.098 -8.637 0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.298 -7.568 1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.898 -6.857 1.787 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.743 -8.702 3.839 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.884 -7.388 4.048 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.544 -10.141 3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.681 -8.811 3.786 1.00 0.00 H new ATOM 647 N GLU A 44 -4.103 -11.235 0.945 1.00 0.00 N ATOM 648 CA GLU A 44 -3.186 -12.363 0.749 1.00 0.00 C ATOM 649 C GLU A 44 -2.307 -12.589 1.981 1.00 0.00 C ATOM 650 O GLU A 44 -2.210 -13.703 2.493 1.00 0.00 O ATOM 651 CB GLU A 44 -2.315 -12.153 -0.499 1.00 0.00 C ATOM 652 CG GLU A 44 -1.447 -13.352 -0.859 1.00 0.00 C ATOM 653 CD GLU A 44 -2.261 -14.551 -1.307 1.00 0.00 C ATOM 654 OE1 GLU A 44 -2.699 -15.340 -0.443 1.00 0.00 O ATOM 655 OE2 GLU A 44 -2.471 -14.707 -2.529 1.00 0.00 O ATOM 0 H GLU A 44 -5.074 -11.519 1.077 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.794 -13.255 0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.961 -11.918 -1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.672 -11.287 -0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.756 -13.070 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.843 -13.630 0.005 1.00 0.00 H new ATOM 662 N GLU A 45 -1.681 -11.528 2.457 1.00 0.00 N ATOM 663 CA GLU A 45 -0.751 -11.616 3.571 1.00 0.00 C ATOM 664 C GLU A 45 -1.491 -11.784 4.899 1.00 0.00 C ATOM 665 O GLU A 45 -1.652 -12.901 5.390 1.00 0.00 O ATOM 666 CB GLU A 45 0.126 -10.367 3.600 1.00 0.00 C ATOM 667 CG GLU A 45 1.598 -10.646 3.831 1.00 0.00 C ATOM 668 CD GLU A 45 1.910 -11.095 5.241 1.00 0.00 C ATOM 669 OE1 GLU A 45 1.598 -12.252 5.590 1.00 0.00 O ATOM 670 OE2 GLU A 45 2.493 -10.295 5.994 1.00 0.00 O ATOM 0 H GLU A 45 -1.801 -10.586 2.086 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.123 -12.496 3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.012 -9.835 2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.234 -9.702 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.929 -11.414 3.132 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.170 -9.745 3.609 1.00 0.00 H new ATOM 677 N GLU A 46 -1.952 -10.675 5.466 1.00 0.00 N ATOM 678 CA GLU A 46 -2.666 -10.710 6.735 1.00 0.00 C ATOM 679 C GLU A 46 -3.954 -9.907 6.643 1.00 0.00 C ATOM 680 O GLU A 46 -5.010 -10.442 6.318 1.00 0.00 O ATOM 681 CB GLU A 46 -1.800 -10.161 7.870 1.00 0.00 C ATOM 682 CG GLU A 46 -0.531 -10.955 8.121 1.00 0.00 C ATOM 683 CD GLU A 46 0.312 -10.369 9.233 1.00 0.00 C ATOM 684 OE1 GLU A 46 0.835 -9.251 9.063 1.00 0.00 O ATOM 685 OE2 GLU A 46 0.459 -11.029 10.283 1.00 0.00 O ATOM 0 H GLU A 46 -1.844 -9.742 5.067 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.905 -11.751 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.531 -9.130 7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.390 -10.141 8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.794 -11.983 8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.058 -10.991 7.204 1.00 0.00 H new ATOM 692 N GLY A 47 -3.854 -8.609 6.895 1.00 0.00 N ATOM 693 CA GLY A 47 -5.024 -7.765 6.845 1.00 0.00 C ATOM 694 C GLY A 47 -4.836 -6.449 7.558 1.00 0.00 C ATOM 695 O GLY A 47 -4.207 -5.530 7.034 1.00 0.00 O ATOM 0 H GLY A 47 -2.985 -8.130 7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.282 -7.573 5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.866 -8.295 7.290 1.00 0.00 H new ATOM 699 N MET A 48 -5.376 -6.358 8.758 1.00 0.00 N ATOM 700 CA MET A 48 -5.300 -5.144 9.547 1.00 0.00 C ATOM 701 C MET A 48 -3.850 -4.675 9.773 1.00 0.00 C ATOM 702 O MET A 48 -3.557 -3.487 9.603 1.00 0.00 O ATOM 703 CB MET A 48 -6.049 -5.334 10.867 1.00 0.00 C ATOM 704 CG MET A 48 -6.044 -4.099 11.734 1.00 0.00 C ATOM 705 SD MET A 48 -6.734 -2.668 10.895 1.00 0.00 S ATOM 706 CE MET A 48 -5.925 -1.391 11.838 1.00 0.00 C ATOM 0 H MET A 48 -5.878 -7.121 9.212 1.00 0.00 H new ATOM 0 HA MET A 48 -5.784 -4.347 8.982 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.080 -5.618 10.655 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.598 -6.159 11.418 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.614 -4.294 12.642 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.022 -3.878 12.041 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.394 -0.430 11.627 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.014 -1.612 12.902 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.871 -1.348 11.563 1.00 0.00 H new ATOM 716 N PRO A 49 -2.909 -5.579 10.123 1.00 0.00 N ATOM 717 CA PRO A 49 -1.488 -5.225 10.256 1.00 0.00 C ATOM 718 C PRO A 49 -0.918 -4.712 8.942 1.00 0.00 C ATOM 719 O PRO A 49 -0.051 -3.837 8.924 1.00 0.00 O ATOM 720 CB PRO A 49 -0.817 -6.546 10.641 1.00 0.00 C ATOM 721 CG PRO A 49 -1.915 -7.362 11.214 1.00 0.00 C ATOM 722 CD PRO A 49 -3.135 -6.998 10.433 1.00 0.00 C ATOM 0 HA PRO A 49 -1.329 -4.430 10.985 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.371 -7.033 9.774 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.018 -6.390 11.366 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.698 -8.427 11.128 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.050 -7.148 12.274 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.232 -7.600 9.529 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.046 -7.146 11.013 1.00 0.00 H new ATOM 730 N LEU A 50 -1.423 -5.269 7.846 1.00 0.00 N ATOM 731 CA LEU A 50 -1.035 -4.841 6.509 1.00 0.00 C ATOM 732 C LEU A 50 -1.319 -3.369 6.321 1.00 0.00 C ATOM 733 O LEU A 50 -0.486 -2.621 5.827 1.00 0.00 O ATOM 734 CB LEU A 50 -1.798 -5.626 5.452 1.00 0.00 C ATOM 735 CG LEU A 50 -1.281 -7.026 5.141 1.00 0.00 C ATOM 736 CD1 LEU A 50 -0.910 -7.076 3.679 1.00 0.00 C ATOM 737 CD2 LEU A 50 -0.085 -7.402 6.011 1.00 0.00 C ATOM 0 H LEU A 50 -2.108 -6.025 7.860 1.00 0.00 H new ATOM 0 HA LEU A 50 0.034 -5.025 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.837 -5.709 5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.794 -5.048 4.528 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.064 -7.751 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.537 -8.070 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.789 -6.858 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.136 -6.336 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.250 -8.407 5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.726 -6.695 5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.376 -7.373 7.061 1.00 0.00 H new ATOM 749 N ARG A 51 -2.498 -2.971 6.748 1.00 0.00 N ATOM 750 CA ARG A 51 -2.914 -1.588 6.660 1.00 0.00 C ATOM 751 C ARG A 51 -2.024 -0.697 7.508 1.00 0.00 C ATOM 752 O ARG A 51 -1.527 0.317 7.031 1.00 0.00 O ATOM 753 CB ARG A 51 -4.383 -1.493 7.060 1.00 0.00 C ATOM 754 CG ARG A 51 -4.843 -0.146 7.577 1.00 0.00 C ATOM 755 CD ARG A 51 -6.328 -0.186 7.889 1.00 0.00 C ATOM 756 NE ARG A 51 -6.749 0.903 8.762 1.00 0.00 N ATOM 757 CZ ARG A 51 -7.847 0.860 9.511 1.00 0.00 C ATOM 758 NH1 ARG A 51 -8.647 -0.197 9.457 1.00 0.00 N ATOM 759 NH2 ARG A 51 -8.144 1.871 10.310 1.00 0.00 N ATOM 0 H ARG A 51 -3.192 -3.593 7.164 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.810 -1.231 5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.992 -1.756 6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.579 -2.241 7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.282 0.119 8.473 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.640 0.626 6.834 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.892 -0.138 6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.571 -1.138 8.360 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.171 1.742 8.800 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.420 -0.977 8.841 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.489 -0.229 10.032 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.531 2.685 10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.986 1.837 10.884 1.00 0.00 H new ATOM 773 N ALA A 52 -1.785 -1.099 8.744 1.00 0.00 N ATOM 774 CA ALA A 52 -0.931 -0.329 9.633 1.00 0.00 C ATOM 775 C ALA A 52 0.480 -0.174 9.059 1.00 0.00 C ATOM 776 O ALA A 52 1.023 0.935 9.020 1.00 0.00 O ATOM 777 CB ALA A 52 -0.879 -0.981 11.006 1.00 0.00 C ATOM 0 H ALA A 52 -2.168 -1.951 9.154 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.359 0.669 9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.236 -0.395 11.663 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.884 -1.025 11.426 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.480 -1.991 10.914 1.00 0.00 H new ATOM 783 N TRP A 53 1.070 -1.279 8.593 1.00 0.00 N ATOM 784 CA TRP A 53 2.445 -1.237 8.109 1.00 0.00 C ATOM 785 C TRP A 53 2.528 -0.513 6.772 1.00 0.00 C ATOM 786 O TRP A 53 3.399 0.334 6.576 1.00 0.00 O ATOM 787 CB TRP A 53 3.083 -2.653 8.055 1.00 0.00 C ATOM 788 CG TRP A 53 2.967 -3.425 6.765 1.00 0.00 C ATOM 789 CD1 TRP A 53 2.176 -4.510 6.549 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.703 -3.224 5.545 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.337 -4.973 5.264 1.00 0.00 N ATOM 792 CE2 TRP A 53 3.268 -4.200 4.629 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.671 -2.307 5.133 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.765 -4.283 3.335 1.00 0.00 C ATOM 795 CZ3 TRP A 53 5.168 -2.393 3.849 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.712 -3.375 2.963 1.00 0.00 C ATOM 0 H TRP A 53 0.624 -2.195 8.542 1.00 0.00 H new ATOM 0 HA TRP A 53 3.034 -0.664 8.825 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.142 -2.553 8.292 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.635 -3.253 8.847 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.515 -4.946 7.283 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.842 -5.764 4.852 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.025 -1.542 5.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.414 -5.039 2.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.921 -1.691 3.523 1.00 0.00 H new ATOM 0 HH2 TRP A 53 5.119 -3.415 1.963 1.00 0.00 H new ATOM 807 N VAL A 54 1.608 -0.823 5.867 1.00 0.00 N ATOM 808 CA VAL A 54 1.665 -0.286 4.519 1.00 0.00 C ATOM 809 C VAL A 54 1.351 1.209 4.506 1.00 0.00 C ATOM 810 O VAL A 54 2.009 1.976 3.805 1.00 0.00 O ATOM 811 CB VAL A 54 0.733 -1.068 3.562 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.661 -0.466 3.488 1.00 0.00 C ATOM 813 CG2 VAL A 54 1.352 -1.174 2.177 1.00 0.00 C ATOM 0 H VAL A 54 0.817 -1.442 6.044 1.00 0.00 H new ATOM 0 HA VAL A 54 2.685 -0.411 4.156 1.00 0.00 H new ATOM 0 HB VAL A 54 0.622 -2.071 3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.274 -1.052 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.114 -0.475 4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.595 0.561 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.681 -1.727 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.513 -0.175 1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.306 -1.696 2.244 1.00 0.00 H new ATOM 823 N ILE A 55 0.360 1.625 5.299 1.00 0.00 N ATOM 824 CA ILE A 55 0.031 3.037 5.414 1.00 0.00 C ATOM 825 C ILE A 55 1.186 3.814 6.036 1.00 0.00 C ATOM 826 O ILE A 55 1.571 4.868 5.530 1.00 0.00 O ATOM 827 CB ILE A 55 -1.257 3.258 6.241 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.465 2.685 5.502 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.471 4.732 6.545 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.764 2.823 6.261 1.00 0.00 C ATOM 0 H ILE A 55 -0.221 1.005 5.864 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.145 3.409 4.405 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.143 2.734 7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.562 3.187 4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.286 1.630 5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.384 4.855 7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.623 5.113 7.115 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.559 5.287 5.611 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.576 2.394 5.674 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.687 2.297 7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.968 3.878 6.445 1.00 0.00 H new ATOM 842 N LYS A 56 1.759 3.285 7.116 1.00 0.00 N ATOM 843 CA LYS A 56 2.852 3.971 7.791 1.00 0.00 C ATOM 844 C LYS A 56 4.080 4.068 6.891 1.00 0.00 C ATOM 845 O LYS A 56 4.665 5.140 6.751 1.00 0.00 O ATOM 846 CB LYS A 56 3.220 3.281 9.104 1.00 0.00 C ATOM 847 CG LYS A 56 4.257 4.051 9.906 1.00 0.00 C ATOM 848 CD LYS A 56 4.579 3.366 11.222 1.00 0.00 C ATOM 849 CE LYS A 56 5.536 4.198 12.059 1.00 0.00 C ATOM 850 NZ LYS A 56 4.954 5.519 12.423 1.00 0.00 N ATOM 0 H LYS A 56 1.487 2.396 7.535 1.00 0.00 H new ATOM 0 HA LYS A 56 2.506 4.979 8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.321 3.156 9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.602 2.283 8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.169 4.153 9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.890 5.058 10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.658 3.196 11.780 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.019 2.388 11.027 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.792 3.652 12.967 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.463 4.350 11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.493 5.931 13.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.999 6.156 11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.962 5.394 12.710 1.00 0.00 H new ATOM 864 N CYS A 57 4.462 2.956 6.272 1.00 0.00 N ATOM 865 CA CYS A 57 5.640 2.935 5.407 1.00 0.00 C ATOM 866 C CYS A 57 5.477 3.892 4.232 1.00 0.00 C ATOM 867 O CYS A 57 6.400 4.633 3.898 1.00 0.00 O ATOM 868 CB CYS A 57 5.917 1.519 4.902 1.00 0.00 C ATOM 869 SG CYS A 57 6.358 0.354 6.211 1.00 0.00 S ATOM 0 H CYS A 57 3.978 2.062 6.351 1.00 0.00 H new ATOM 0 HA CYS A 57 6.492 3.266 6.000 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.034 1.149 4.381 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.726 1.555 4.172 1.00 0.00 H new ATOM 0 HG CYS A 57 5.286 -0.003 6.854 1.00 0.00 H new ATOM 875 N ALA A 58 4.295 3.886 3.621 1.00 0.00 N ATOM 876 CA ALA A 58 4.006 4.791 2.516 1.00 0.00 C ATOM 877 C ALA A 58 4.014 6.239 2.991 1.00 0.00 C ATOM 878 O ALA A 58 4.501 7.132 2.297 1.00 0.00 O ATOM 879 CB ALA A 58 2.665 4.448 1.888 1.00 0.00 C ATOM 0 H ALA A 58 3.525 3.266 3.873 1.00 0.00 H new ATOM 0 HA ALA A 58 4.785 4.672 1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.463 5.133 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.690 3.425 1.512 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.878 4.540 2.637 1.00 0.00 H new ATOM 885 N HIS A 59 3.478 6.456 4.186 1.00 0.00 N ATOM 886 CA HIS A 59 3.440 7.779 4.797 1.00 0.00 C ATOM 887 C HIS A 59 4.858 8.305 5.001 1.00 0.00 C ATOM 888 O HIS A 59 5.184 9.419 4.588 1.00 0.00 O ATOM 889 CB HIS A 59 2.700 7.700 6.141 1.00 0.00 C ATOM 890 CG HIS A 59 2.299 9.020 6.723 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.635 9.132 7.925 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.434 10.279 6.255 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.375 10.402 8.166 1.00 0.00 C ATOM 894 NE2 HIS A 59 1.850 11.118 7.170 1.00 0.00 N ATOM 0 H HIS A 59 3.059 5.722 4.757 1.00 0.00 H new ATOM 0 HA HIS A 59 2.910 8.466 4.138 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.805 7.091 6.010 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.336 7.182 6.859 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.913 10.571 5.332 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.860 10.788 9.033 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.793 12.133 7.091 1.00 0.00 H new ATOM 903 N GLU A 60 5.697 7.480 5.621 1.00 0.00 N ATOM 904 CA GLU A 60 7.092 7.832 5.871 1.00 0.00 C ATOM 905 C GLU A 60 7.834 8.069 4.559 1.00 0.00 C ATOM 906 O GLU A 60 8.587 9.032 4.424 1.00 0.00 O ATOM 907 CB GLU A 60 7.789 6.718 6.657 1.00 0.00 C ATOM 908 CG GLU A 60 7.185 6.453 8.025 1.00 0.00 C ATOM 909 CD GLU A 60 7.297 7.642 8.951 1.00 0.00 C ATOM 910 OE1 GLU A 60 8.412 7.909 9.448 1.00 0.00 O ATOM 911 OE2 GLU A 60 6.273 8.309 9.194 1.00 0.00 O ATOM 0 H GLU A 60 5.432 6.556 5.962 1.00 0.00 H new ATOM 0 HA GLU A 60 7.108 8.751 6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.754 5.799 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.840 6.978 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.135 6.186 7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.684 5.596 8.478 1.00 0.00 H new ATOM 918 N ALA A 61 7.611 7.182 3.595 1.00 0.00 N ATOM 919 CA ALA A 61 8.277 7.269 2.303 1.00 0.00 C ATOM 920 C ALA A 61 7.908 8.557 1.581 1.00 0.00 C ATOM 921 O ALA A 61 8.774 9.247 1.048 1.00 0.00 O ATOM 922 CB ALA A 61 7.926 6.062 1.440 1.00 0.00 C ATOM 0 H ALA A 61 6.972 6.392 3.686 1.00 0.00 H new ATOM 0 HA ALA A 61 9.353 7.275 2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.432 6.143 0.478 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.246 5.150 1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.848 6.029 1.281 1.00 0.00 H new ATOM 928 N LEU A 62 6.624 8.890 1.597 1.00 0.00 N ATOM 929 CA LEU A 62 6.124 10.042 0.864 1.00 0.00 C ATOM 930 C LEU A 62 6.566 11.355 1.496 1.00 0.00 C ATOM 931 O LEU A 62 6.996 12.254 0.797 1.00 0.00 O ATOM 932 CB LEU A 62 4.606 10.008 0.782 1.00 0.00 C ATOM 933 CG LEU A 62 3.973 11.197 0.062 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.648 10.843 -1.372 1.00 0.00 C ATOM 935 CD2 LEU A 62 2.728 11.664 0.794 1.00 0.00 C ATOM 0 H LEU A 62 5.909 8.376 2.112 1.00 0.00 H new ATOM 0 HA LEU A 62 6.546 9.987 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.305 9.092 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.203 9.958 1.794 1.00 0.00 H new ATOM 0 HG LEU A 62 4.693 12.015 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.198 11.704 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.563 10.562 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.948 10.007 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.292 12.512 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.004 10.850 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.993 11.966 1.807 1.00 0.00 H new ATOM 947 N GLU A 63 6.461 11.474 2.811 1.00 0.00 N ATOM 948 CA GLU A 63 6.816 12.727 3.479 1.00 0.00 C ATOM 949 C GLU A 63 8.304 13.036 3.333 1.00 0.00 C ATOM 950 O GLU A 63 8.714 14.196 3.408 1.00 0.00 O ATOM 951 CB GLU A 63 6.447 12.701 4.961 1.00 0.00 C ATOM 952 CG GLU A 63 4.954 12.652 5.235 1.00 0.00 C ATOM 953 CD GLU A 63 4.645 12.858 6.701 1.00 0.00 C ATOM 954 OE1 GLU A 63 4.656 11.872 7.461 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.402 14.012 7.108 1.00 0.00 O ATOM 0 H GLU A 63 6.138 10.733 3.433 1.00 0.00 H new ATOM 0 HA GLU A 63 6.241 13.513 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.918 11.834 5.425 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.864 13.586 5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.451 13.419 4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.556 11.690 4.911 1.00 0.00 H new ATOM 962 N LYS A 64 9.114 12.005 3.143 1.00 0.00 N ATOM 963 CA LYS A 64 10.554 12.189 3.039 1.00 0.00 C ATOM 964 C LYS A 64 10.961 12.224 1.580 1.00 0.00 C ATOM 965 O LYS A 64 12.130 12.415 1.242 1.00 0.00 O ATOM 966 CB LYS A 64 11.285 11.069 3.770 1.00 0.00 C ATOM 967 CG LYS A 64 11.030 11.068 5.268 1.00 0.00 C ATOM 968 CD LYS A 64 11.710 9.898 5.959 1.00 0.00 C ATOM 969 CE LYS A 64 13.220 9.949 5.795 1.00 0.00 C ATOM 970 NZ LYS A 64 13.887 8.825 6.502 1.00 0.00 N ATOM 0 H LYS A 64 8.801 11.038 3.058 1.00 0.00 H new ATOM 0 HA LYS A 64 10.827 13.136 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.976 10.110 3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.356 11.164 3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.390 12.003 5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.957 11.025 5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.459 9.906 7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.331 8.962 5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.473 9.914 4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.596 10.896 6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.916 8.892 6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.666 8.873 7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.546 7.921 6.116 1.00 0.00 H new ATOM 984 N ASN A 65 9.971 12.040 0.727 1.00 0.00 N ATOM 985 CA ASN A 65 10.161 12.048 -0.710 1.00 0.00 C ATOM 986 C ASN A 65 8.889 12.582 -1.376 1.00 0.00 C ATOM 987 O ASN A 65 8.298 11.931 -2.238 1.00 0.00 O ATOM 988 CB ASN A 65 10.450 10.616 -1.161 1.00 0.00 C ATOM 989 CG ASN A 65 10.733 10.479 -2.637 1.00 0.00 C ATOM 990 OD1 ASN A 65 10.183 9.432 -3.217 1.00 0.00 O flip ATOM 991 ND2 ASN A 65 11.396 11.314 -3.249 1.00 0.00 N flip ATOM 0 H ASN A 65 9.006 11.880 1.015 1.00 0.00 H new ATOM 0 HA ASN A 65 10.996 12.689 -0.993 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.305 10.236 -0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.597 9.987 -0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.801 12.108 -2.752 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.541 11.213 -4.254 1.00 0.00 H new ATOM 998 N PRO A 66 8.436 13.790 -0.978 1.00 0.00 N ATOM 999 CA PRO A 66 7.112 14.292 -1.344 1.00 0.00 C ATOM 1000 C PRO A 66 7.087 14.903 -2.740 1.00 0.00 C ATOM 1001 O PRO A 66 6.594 16.010 -2.947 1.00 0.00 O ATOM 1002 CB PRO A 66 6.850 15.335 -0.260 1.00 0.00 C ATOM 1003 CG PRO A 66 8.194 15.903 0.035 1.00 0.00 C ATOM 1004 CD PRO A 66 9.178 14.774 -0.159 1.00 0.00 C ATOM 0 HA PRO A 66 6.354 13.510 -1.391 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.160 16.104 -0.607 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.405 14.884 0.627 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.420 16.736 -0.631 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.239 16.289 1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.081 15.114 -0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.488 14.347 0.794 1.00 0.00 H new ATOM 1012 N LYS A 67 7.642 14.164 -3.689 1.00 0.00 N ATOM 1013 CA LYS A 67 7.663 14.573 -5.086 1.00 0.00 C ATOM 1014 C LYS A 67 7.066 13.476 -5.953 1.00 0.00 C ATOM 1015 O LYS A 67 6.779 13.685 -7.134 1.00 0.00 O ATOM 1016 CB LYS A 67 9.095 14.856 -5.572 1.00 0.00 C ATOM 1017 CG LYS A 67 9.815 15.994 -4.860 1.00 0.00 C ATOM 1018 CD LYS A 67 10.391 15.557 -3.521 1.00 0.00 C ATOM 1019 CE LYS A 67 11.280 16.631 -2.915 1.00 0.00 C ATOM 1020 NZ LYS A 67 10.557 17.913 -2.710 1.00 0.00 N ATOM 0 H LYS A 67 8.090 13.265 -3.513 1.00 0.00 H new ATOM 0 HA LYS A 67 7.077 15.489 -5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.686 13.947 -5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.061 15.081 -6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.618 16.368 -5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.121 16.820 -4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.578 15.326 -2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.966 14.641 -3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.670 16.280 -1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.137 16.800 -3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.153 18.563 -2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.340 18.340 -3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.672 17.734 -2.194 1.00 0.00 H new ATOM 1034 N ILE A 68 6.873 12.305 -5.357 1.00 0.00 N ATOM 1035 CA ILE A 68 6.475 11.130 -6.113 1.00 0.00 C ATOM 1036 C ILE A 68 4.970 10.945 -6.159 1.00 0.00 C ATOM 1037 O ILE A 68 4.206 11.805 -5.711 1.00 0.00 O ATOM 1038 CB ILE A 68 7.152 9.848 -5.582 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.990 9.674 -4.058 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.620 9.864 -5.964 1.00 0.00 C ATOM 1041 CD1 ILE A 68 5.662 9.103 -3.622 1.00 0.00 C ATOM 0 H ILE A 68 6.986 12.147 -4.356 1.00 0.00 H new ATOM 0 HA ILE A 68 6.817 11.305 -7.133 1.00 0.00 H new ATOM 0 HB ILE A 68 6.655 8.994 -6.042 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.786 9.024 -3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.127 10.644 -3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.103 8.961 -5.591 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.713 9.904 -7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.100 10.739 -5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.642 9.018 -2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.858 9.762 -3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.527 8.117 -4.066 1.00 0.00 H new ATOM 1053 N ARG A 69 4.558 9.811 -6.705 1.00 0.00 N ATOM 1054 CA ARG A 69 3.156 9.577 -7.035 1.00 0.00 C ATOM 1055 C ARG A 69 2.771 8.122 -6.784 1.00 0.00 C ATOM 1056 O ARG A 69 1.596 7.766 -6.839 1.00 0.00 O ATOM 1057 CB ARG A 69 2.901 9.932 -8.507 1.00 0.00 C ATOM 1058 CG ARG A 69 3.225 11.377 -8.862 1.00 0.00 C ATOM 1059 CD ARG A 69 3.203 11.609 -10.364 1.00 0.00 C ATOM 1060 NE ARG A 69 1.869 11.438 -10.934 1.00 0.00 N ATOM 1061 CZ ARG A 69 1.600 10.690 -12.005 1.00 0.00 C ATOM 1062 NH1 ARG A 69 2.578 10.046 -12.635 1.00 0.00 N ATOM 1063 NH2 ARG A 69 0.357 10.596 -12.452 1.00 0.00 N ATOM 0 H ARG A 69 5.177 9.033 -6.931 1.00 0.00 H new ATOM 0 HA ARG A 69 2.544 10.211 -6.394 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.496 9.272 -9.137 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.854 9.737 -8.741 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.505 12.039 -8.382 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.208 11.636 -8.469 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.561 12.616 -10.579 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.893 10.916 -10.846 1.00 0.00 H new ATOM 0 HE ARG A 69 1.092 11.922 -10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.538 10.123 -12.300 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.368 9.475 -13.454 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.395 11.096 -11.977 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.151 10.024 -13.271 1.00 0.00 H new ATOM 1077 N GLU A 70 3.768 7.277 -6.562 1.00 0.00 N ATOM 1078 CA GLU A 70 3.541 5.880 -6.244 1.00 0.00 C ATOM 1079 C GLU A 70 4.827 5.246 -5.705 1.00 0.00 C ATOM 1080 O GLU A 70 5.929 5.670 -6.060 1.00 0.00 O ATOM 1081 CB GLU A 70 3.036 5.165 -7.500 1.00 0.00 C ATOM 1082 CG GLU A 70 3.288 3.666 -7.517 1.00 0.00 C ATOM 1083 CD GLU A 70 3.129 3.053 -8.898 1.00 0.00 C ATOM 1084 OE1 GLU A 70 3.855 3.471 -9.828 1.00 0.00 O ATOM 1085 OE2 GLU A 70 2.290 2.145 -9.063 1.00 0.00 O ATOM 0 H GLU A 70 4.752 7.542 -6.598 1.00 0.00 H new ATOM 0 HA GLU A 70 2.785 5.787 -5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.965 5.342 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.513 5.611 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.296 3.468 -7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.598 3.179 -6.828 1.00 0.00 H new ATOM 1092 N VAL A 71 4.682 4.247 -4.841 1.00 0.00 N ATOM 1093 CA VAL A 71 5.819 3.511 -4.310 1.00 0.00 C ATOM 1094 C VAL A 71 5.575 2.010 -4.419 1.00 0.00 C ATOM 1095 O VAL A 71 4.428 1.555 -4.469 1.00 0.00 O ATOM 1096 CB VAL A 71 6.129 3.885 -2.840 1.00 0.00 C ATOM 1097 CG1 VAL A 71 6.640 5.314 -2.737 1.00 0.00 C ATOM 1098 CG2 VAL A 71 4.904 3.694 -1.960 1.00 0.00 C ATOM 0 H VAL A 71 3.778 3.928 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 71 6.686 3.788 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 71 6.913 3.216 -2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.850 5.551 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.553 5.417 -3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.884 5.999 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.148 3.964 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.095 4.330 -2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.589 2.651 -1.996 1.00 0.00 H new ATOM 1108 N TYR A 72 6.652 1.243 -4.455 1.00 0.00 N ATOM 1109 CA TYR A 72 6.557 -0.193 -4.655 1.00 0.00 C ATOM 1110 C TYR A 72 6.959 -0.929 -3.391 1.00 0.00 C ATOM 1111 O TYR A 72 8.098 -0.825 -2.931 1.00 0.00 O ATOM 1112 CB TYR A 72 7.434 -0.618 -5.833 1.00 0.00 C ATOM 1113 CG TYR A 72 7.115 0.141 -7.098 1.00 0.00 C ATOM 1114 CD1 TYR A 72 6.001 -0.181 -7.858 1.00 0.00 C ATOM 1115 CD2 TYR A 72 7.910 1.201 -7.515 1.00 0.00 C ATOM 1116 CE1 TYR A 72 5.689 0.525 -9.000 1.00 0.00 C ATOM 1117 CE2 TYR A 72 7.601 1.918 -8.653 1.00 0.00 C ATOM 1118 CZ TYR A 72 6.490 1.574 -9.394 1.00 0.00 C ATOM 1119 OH TYR A 72 6.169 2.295 -10.522 1.00 0.00 O ATOM 0 H TYR A 72 7.604 1.592 -4.348 1.00 0.00 H new ATOM 0 HA TYR A 72 5.523 -0.451 -4.884 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.482 -0.463 -5.575 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.304 -1.685 -6.012 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.367 -0.999 -7.550 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.784 1.468 -6.939 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.820 0.257 -9.583 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.225 2.743 -8.961 1.00 0.00 H new ATOM 0 HH TYR A 72 5.397 2.869 -10.335 1.00 0.00 H new ATOM 1129 N LEU A 73 6.014 -1.663 -2.832 1.00 0.00 N ATOM 1130 CA LEU A 73 6.220 -2.326 -1.561 1.00 0.00 C ATOM 1131 C LEU A 73 6.032 -3.831 -1.659 1.00 0.00 C ATOM 1132 O LEU A 73 5.188 -4.327 -2.407 1.00 0.00 O ATOM 1133 CB LEU A 73 5.273 -1.748 -0.514 1.00 0.00 C ATOM 1134 CG LEU A 73 5.822 -0.543 0.245 1.00 0.00 C ATOM 1135 CD1 LEU A 73 4.754 0.058 1.144 1.00 0.00 C ATOM 1136 CD2 LEU A 73 7.036 -0.961 1.060 1.00 0.00 C ATOM 0 H LEU A 73 5.092 -1.814 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 73 7.253 -2.147 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.343 -1.459 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.025 -2.530 0.203 1.00 0.00 H new ATOM 0 HG LEU A 73 6.123 0.220 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.166 0.916 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.907 0.380 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.422 -0.690 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.426 -0.099 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.748 -1.735 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.806 -1.349 0.393 1.00 0.00 H new ATOM 1148 N LYS A 74 6.838 -4.551 -0.901 1.00 0.00 N ATOM 1149 CA LYS A 74 6.700 -5.987 -0.787 1.00 0.00 C ATOM 1150 C LYS A 74 6.391 -6.341 0.663 1.00 0.00 C ATOM 1151 O LYS A 74 7.159 -6.008 1.564 1.00 0.00 O ATOM 1152 CB LYS A 74 7.980 -6.688 -1.247 1.00 0.00 C ATOM 1153 CG LYS A 74 7.762 -7.722 -2.347 1.00 0.00 C ATOM 1154 CD LYS A 74 8.218 -9.106 -1.913 1.00 0.00 C ATOM 1155 CE LYS A 74 7.279 -9.707 -0.883 1.00 0.00 C ATOM 1156 NZ LYS A 74 7.838 -10.943 -0.280 1.00 0.00 N ATOM 0 H LYS A 74 7.602 -4.158 -0.351 1.00 0.00 H new ATOM 0 HA LYS A 74 5.885 -6.325 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.685 -5.937 -1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.442 -7.177 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.706 -7.753 -2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.308 -7.423 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.272 -9.761 -2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.224 -9.044 -1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.085 -8.976 -0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.322 -9.933 -1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.110 -11.405 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.142 -11.591 -1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.654 -10.700 0.316 1.00 0.00 H new ATOM 1170 N PRO A 75 5.248 -6.994 0.907 1.00 0.00 N ATOM 1171 CA PRO A 75 4.815 -7.367 2.256 1.00 0.00 C ATOM 1172 C PRO A 75 5.785 -8.314 2.951 1.00 0.00 C ATOM 1173 O PRO A 75 6.586 -8.997 2.309 1.00 0.00 O ATOM 1174 CB PRO A 75 3.474 -8.065 2.028 1.00 0.00 C ATOM 1175 CG PRO A 75 3.493 -8.476 0.600 1.00 0.00 C ATOM 1176 CD PRO A 75 4.284 -7.420 -0.112 1.00 0.00 C ATOM 0 HA PRO A 75 4.757 -6.494 2.906 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.361 -8.927 2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.640 -7.395 2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.952 -9.457 0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.482 -8.546 0.199 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.780 -7.815 -0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.653 -6.595 -0.442 1.00 0.00 H new ATOM 1184 N ARG A 76 5.659 -8.350 4.276 1.00 0.00 N ATOM 1185 CA ARG A 76 6.582 -9.057 5.164 1.00 0.00 C ATOM 1186 C ARG A 76 6.672 -10.540 4.835 1.00 0.00 C ATOM 1187 O ARG A 76 7.697 -11.172 5.094 1.00 0.00 O ATOM 1188 CB ARG A 76 6.118 -8.887 6.606 1.00 0.00 C ATOM 1189 CG ARG A 76 5.973 -7.426 7.018 1.00 0.00 C ATOM 1190 CD ARG A 76 4.927 -7.233 8.108 1.00 0.00 C ATOM 1191 NE ARG A 76 5.216 -8.005 9.315 1.00 0.00 N ATOM 1192 CZ ARG A 76 5.260 -7.484 10.542 1.00 0.00 C ATOM 1193 NH1 ARG A 76 5.131 -6.173 10.727 1.00 0.00 N ATOM 1194 NH2 ARG A 76 5.451 -8.279 11.586 1.00 0.00 N ATOM 0 H ARG A 76 4.901 -7.881 4.772 1.00 0.00 H new ATOM 0 HA ARG A 76 7.574 -8.627 5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.161 -9.392 6.736 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.829 -9.377 7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.935 -7.053 7.371 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.700 -6.831 6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.867 -6.175 8.365 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.950 -7.523 7.722 1.00 0.00 H new ATOM 0 HE ARG A 76 5.395 -9.004 9.213 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.997 -5.556 9.926 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.166 -5.785 11.670 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.563 -9.283 11.448 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.486 -7.886 12.527 1.00 0.00 H new ATOM 1208 N ALA A 77 5.595 -11.094 4.292 1.00 0.00 N ATOM 1209 CA ALA A 77 5.586 -12.490 3.887 1.00 0.00 C ATOM 1210 C ALA A 77 6.457 -12.699 2.660 1.00 0.00 C ATOM 1211 O ALA A 77 5.989 -12.634 1.516 1.00 0.00 O ATOM 1212 CB ALA A 77 4.175 -12.971 3.616 1.00 0.00 C ATOM 0 H ALA A 77 4.720 -10.598 4.123 1.00 0.00 H new ATOM 0 HA ALA A 77 5.995 -13.077 4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.199 -14.018 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.575 -12.867 4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.734 -12.374 2.818 1.00 0.00 H new ATOM 1218 N VAL A 78 7.734 -12.918 2.903 1.00 0.00 N ATOM 1219 CA VAL A 78 8.677 -13.219 1.847 1.00 0.00 C ATOM 1220 C VAL A 78 8.339 -14.557 1.180 1.00 0.00 C ATOM 1221 O VAL A 78 8.594 -14.749 -0.008 1.00 0.00 O ATOM 1222 CB VAL A 78 10.126 -13.237 2.387 1.00 0.00 C ATOM 1223 CG1 VAL A 78 10.345 -14.381 3.367 1.00 0.00 C ATOM 1224 CG2 VAL A 78 11.123 -13.302 1.247 1.00 0.00 C ATOM 0 H VAL A 78 8.145 -12.892 3.836 1.00 0.00 H new ATOM 0 HA VAL A 78 8.601 -12.431 1.098 1.00 0.00 H new ATOM 0 HB VAL A 78 10.287 -12.306 2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.374 -14.361 3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.665 -14.272 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.153 -15.330 2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.136 -13.314 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.953 -14.209 0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.998 -12.431 0.604 1.00 0.00 H new ATOM 1234 N LYS A 79 7.715 -15.455 1.940 1.00 0.00 N ATOM 1235 CA LYS A 79 7.390 -16.793 1.448 1.00 0.00 C ATOM 1236 C LYS A 79 6.403 -16.747 0.282 1.00 0.00 C ATOM 1237 O LYS A 79 6.363 -17.668 -0.538 1.00 0.00 O ATOM 1238 CB LYS A 79 6.825 -17.664 2.575 1.00 0.00 C ATOM 1239 CG LYS A 79 5.472 -17.205 3.100 1.00 0.00 C ATOM 1240 CD LYS A 79 4.925 -18.159 4.154 1.00 0.00 C ATOM 1241 CE LYS A 79 5.821 -18.215 5.383 1.00 0.00 C ATOM 1242 NZ LYS A 79 5.281 -19.129 6.424 1.00 0.00 N ATOM 0 H LYS A 79 7.424 -15.280 2.902 1.00 0.00 H new ATOM 0 HA LYS A 79 8.318 -17.235 1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.734 -18.689 2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.537 -17.677 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.567 -16.206 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.766 -17.133 2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.924 -17.842 4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.830 -19.157 3.727 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.817 -18.547 5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.928 -17.214 5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.921 -19.138 7.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.341 -18.799 6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.203 -20.090 6.035 1.00 0.00 H new ATOM 1256 N ASN A 80 5.613 -15.679 0.200 1.00 0.00 N ATOM 1257 CA ASN A 80 4.634 -15.541 -0.875 1.00 0.00 C ATOM 1258 C ASN A 80 5.327 -15.440 -2.223 1.00 0.00 C ATOM 1259 O ASN A 80 4.797 -15.890 -3.237 1.00 0.00 O ATOM 1260 CB ASN A 80 3.749 -14.315 -0.676 1.00 0.00 C ATOM 1261 CG ASN A 80 2.750 -14.481 0.445 1.00 0.00 C ATOM 1262 OD1 ASN A 80 2.367 -15.596 0.793 1.00 0.00 O ATOM 1263 ND2 ASN A 80 2.303 -13.371 1.003 1.00 0.00 N ATOM 0 H ASN A 80 5.631 -14.902 0.860 1.00 0.00 H new ATOM 0 HA ASN A 80 4.007 -16.432 -0.851 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.379 -13.450 -0.468 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.215 -14.106 -1.603 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.613 -13.419 1.753 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.647 -12.465 0.684 1.00 0.00 H new ATOM 1270 N SER A 81 6.522 -14.849 -2.206 1.00 0.00 N ATOM 1271 CA SER A 81 7.360 -14.700 -3.394 1.00 0.00 C ATOM 1272 C SER A 81 6.737 -13.770 -4.438 1.00 0.00 C ATOM 1273 O SER A 81 7.152 -12.618 -4.584 1.00 0.00 O ATOM 1274 CB SER A 81 7.658 -16.071 -4.006 1.00 0.00 C ATOM 1275 OG SER A 81 8.199 -16.953 -3.034 1.00 0.00 O ATOM 0 H SER A 81 6.938 -14.458 -1.361 1.00 0.00 H new ATOM 0 HA SER A 81 8.293 -14.237 -3.074 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.743 -16.496 -4.419 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.360 -15.960 -4.833 1.00 0.00 H new ATOM 0 HG SER A 81 7.503 -17.194 -2.388 1.00 0.00 H new ATOM 1281 N SER A 82 5.723 -14.253 -5.137 1.00 0.00 N ATOM 1282 CA SER A 82 5.193 -13.549 -6.288 1.00 0.00 C ATOM 1283 C SER A 82 3.948 -12.732 -5.940 1.00 0.00 C ATOM 1284 O SER A 82 2.899 -12.872 -6.568 1.00 0.00 O ATOM 1285 CB SER A 82 4.891 -14.552 -7.403 1.00 0.00 C ATOM 1286 OG SER A 82 6.019 -15.374 -7.663 1.00 0.00 O ATOM 0 H SER A 82 5.251 -15.132 -4.925 1.00 0.00 H new ATOM 0 HA SER A 82 5.947 -12.840 -6.630 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.041 -15.173 -7.119 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.607 -14.019 -8.310 1.00 0.00 H new ATOM 0 HG SER A 82 5.803 -16.009 -8.378 1.00 0.00 H new ATOM 1292 N VAL A 83 4.075 -11.876 -4.935 1.00 0.00 N ATOM 1293 CA VAL A 83 3.025 -10.920 -4.607 1.00 0.00 C ATOM 1294 C VAL A 83 3.646 -9.549 -4.370 1.00 0.00 C ATOM 1295 O VAL A 83 4.632 -9.421 -3.641 1.00 0.00 O ATOM 1296 CB VAL A 83 2.188 -11.355 -3.371 1.00 0.00 C ATOM 1297 CG1 VAL A 83 3.041 -11.422 -2.110 1.00 0.00 C ATOM 1298 CG2 VAL A 83 1.003 -10.420 -3.167 1.00 0.00 C ATOM 0 H VAL A 83 4.896 -11.824 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 83 2.338 -10.878 -5.452 1.00 0.00 H new ATOM 0 HB VAL A 83 1.810 -12.358 -3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.421 -11.729 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.844 -12.145 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.468 -10.440 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.431 -10.742 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.364 -9.404 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.365 -10.444 -4.050 1.00 0.00 H new ATOM 1308 N GLN A 84 3.093 -8.532 -5.010 1.00 0.00 N ATOM 1309 CA GLN A 84 3.647 -7.193 -4.917 1.00 0.00 C ATOM 1310 C GLN A 84 2.560 -6.173 -4.641 1.00 0.00 C ATOM 1311 O GLN A 84 1.473 -6.226 -5.222 1.00 0.00 O ATOM 1312 CB GLN A 84 4.389 -6.834 -6.202 1.00 0.00 C ATOM 1313 CG GLN A 84 5.606 -7.706 -6.455 1.00 0.00 C ATOM 1314 CD GLN A 84 6.260 -7.428 -7.787 1.00 0.00 C ATOM 1315 OE1 GLN A 84 6.222 -6.306 -8.297 1.00 0.00 O ATOM 1316 NE2 GLN A 84 6.866 -8.449 -8.362 1.00 0.00 N ATOM 0 H GLN A 84 2.263 -8.608 -5.598 1.00 0.00 H new ATOM 0 HA GLN A 84 4.351 -7.177 -4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.705 -6.923 -7.046 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.701 -5.791 -6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.333 -7.547 -5.659 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.311 -8.754 -6.412 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.874 -9.361 -7.905 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.327 -8.327 -9.264 1.00 0.00 H new ATOM 1325 N PHE A 85 2.856 -5.243 -3.752 1.00 0.00 N ATOM 1326 CA PHE A 85 1.913 -4.203 -3.404 1.00 0.00 C ATOM 1327 C PHE A 85 2.285 -2.905 -4.093 1.00 0.00 C ATOM 1328 O PHE A 85 3.409 -2.414 -3.969 1.00 0.00 O ATOM 1329 CB PHE A 85 1.849 -3.998 -1.887 1.00 0.00 C ATOM 1330 CG PHE A 85 1.039 -5.040 -1.157 1.00 0.00 C ATOM 1331 CD1 PHE A 85 1.175 -6.388 -1.450 1.00 0.00 C ATOM 1332 CD2 PHE A 85 0.138 -4.661 -0.176 1.00 0.00 C ATOM 1333 CE1 PHE A 85 0.429 -7.337 -0.779 1.00 0.00 C ATOM 1334 CE2 PHE A 85 -0.612 -5.607 0.498 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.465 -6.946 0.196 1.00 0.00 C ATOM 0 H PHE A 85 3.746 -5.189 -3.257 1.00 0.00 H new ATOM 0 HA PHE A 85 0.926 -4.516 -3.744 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.864 -3.997 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.425 -3.015 -1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.873 -6.700 -2.213 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.020 -3.615 0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.545 -8.384 -1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.312 -5.299 1.260 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.049 -7.686 0.722 1.00 0.00 H new ATOM 1345 N HIS A 86 1.344 -2.362 -4.836 1.00 0.00 N ATOM 1346 CA HIS A 86 1.557 -1.104 -5.524 1.00 0.00 C ATOM 1347 C HIS A 86 0.830 -0.009 -4.782 1.00 0.00 C ATOM 1348 O HIS A 86 -0.396 0.099 -4.861 1.00 0.00 O ATOM 1349 CB HIS A 86 1.066 -1.170 -6.976 1.00 0.00 C ATOM 1350 CG HIS A 86 1.845 -2.116 -7.836 1.00 0.00 C ATOM 1351 ND1 HIS A 86 2.498 -1.730 -8.988 1.00 0.00 N ATOM 1352 CD2 HIS A 86 2.062 -3.444 -7.711 1.00 0.00 C ATOM 1353 CE1 HIS A 86 3.082 -2.785 -9.528 1.00 0.00 C ATOM 1354 NE2 HIS A 86 2.831 -3.837 -8.773 1.00 0.00 N ATOM 0 H HIS A 86 0.421 -2.772 -4.980 1.00 0.00 H new ATOM 0 HA HIS A 86 2.627 -0.895 -5.546 1.00 0.00 H new ATOM 0 HB2 HIS A 86 0.018 -1.468 -6.982 1.00 0.00 H new ATOM 0 HB3 HIS A 86 1.116 -0.172 -7.412 1.00 0.00 H new ATOM 0 HD2 HIS A 86 1.696 -4.079 -6.918 1.00 0.00 H new ATOM 0 HE1 HIS A 86 3.667 -2.786 -10.436 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.156 -4.787 -8.951 1.00 0.00 H new ATOM 1363 N VAL A 87 1.576 0.787 -4.042 1.00 0.00 N ATOM 1364 CA VAL A 87 0.981 1.874 -3.306 1.00 0.00 C ATOM 1365 C VAL A 87 1.015 3.118 -4.162 1.00 0.00 C ATOM 1366 O VAL A 87 2.072 3.690 -4.415 1.00 0.00 O ATOM 1367 CB VAL A 87 1.709 2.133 -1.976 1.00 0.00 C ATOM 1368 CG1 VAL A 87 1.113 3.334 -1.262 1.00 0.00 C ATOM 1369 CG2 VAL A 87 1.652 0.901 -1.087 1.00 0.00 C ATOM 0 H VAL A 87 2.587 0.699 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.047 1.605 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 87 2.754 2.351 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.643 3.499 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.209 4.217 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.059 3.148 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.172 1.103 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.612 0.651 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.131 0.064 -1.594 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.150 3.530 -4.595 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.273 4.618 -5.526 1.00 0.00 C ATOM 1381 C ILE A 88 -0.866 5.825 -4.842 1.00 0.00 C ATOM 1382 O ILE A 88 -1.785 5.708 -4.034 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.141 4.204 -6.728 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.479 3.034 -7.450 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.351 5.374 -7.677 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.339 2.427 -8.534 1.00 0.00 C ATOM 0 H ILE A 88 -1.039 3.119 -4.310 1.00 0.00 H new ATOM 0 HA ILE A 88 0.721 4.876 -5.891 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.122 3.894 -6.367 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.459 3.373 -7.889 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.229 2.263 -6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.967 5.055 -8.517 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.850 6.186 -7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.386 5.721 -8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.804 1.601 -9.003 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.267 2.057 -8.098 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.568 3.184 -9.284 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.334 6.975 -5.166 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.767 8.206 -4.566 1.00 0.00 C ATOM 1400 C PHE A 89 -1.663 8.961 -5.526 1.00 0.00 C ATOM 1401 O PHE A 89 -1.202 9.472 -6.550 1.00 0.00 O ATOM 1402 CB PHE A 89 0.445 9.034 -4.181 1.00 0.00 C ATOM 1403 CG PHE A 89 1.187 8.397 -3.056 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.706 8.510 -1.768 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.327 7.648 -3.284 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.351 7.895 -0.723 1.00 0.00 C ATOM 1407 CE2 PHE A 89 2.971 7.023 -2.241 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.480 7.149 -0.961 1.00 0.00 C ATOM 0 H PHE A 89 0.412 7.082 -5.854 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.342 7.995 -3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.105 9.143 -5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.129 10.037 -3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.187 9.088 -1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.714 7.553 -4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.972 7.997 0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.858 6.436 -2.426 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.984 6.660 -0.141 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.946 9.009 -5.208 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.908 9.695 -6.052 1.00 0.00 C ATOM 1420 C ASP A 90 -3.769 11.186 -5.867 1.00 0.00 C ATOM 1421 O ASP A 90 -3.985 11.710 -4.773 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.343 9.267 -5.734 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.763 8.007 -6.468 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -5.756 8.008 -7.716 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -6.125 7.017 -5.800 1.00 0.00 O ATOM 0 H ASP A 90 -3.344 8.581 -4.372 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.700 9.427 -7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.438 9.104 -4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.024 10.077 -5.995 1.00 0.00 H new ATOM 1430 N GLU A 91 -3.401 11.868 -6.933 1.00 0.00 N ATOM 1431 CA GLU A 91 -3.161 13.292 -6.865 1.00 0.00 C ATOM 1432 C GLU A 91 -4.473 14.040 -6.972 1.00 0.00 C ATOM 1433 O GLU A 91 -5.169 13.974 -7.987 1.00 0.00 O ATOM 1434 CB GLU A 91 -2.198 13.720 -7.970 1.00 0.00 C ATOM 1435 CG GLU A 91 -0.875 12.980 -7.921 1.00 0.00 C ATOM 1436 CD GLU A 91 0.106 13.467 -8.959 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -0.041 13.096 -10.140 1.00 0.00 O ATOM 1438 OE2 GLU A 91 1.026 14.228 -8.597 1.00 0.00 O ATOM 0 H GLU A 91 -3.262 11.457 -7.856 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.703 13.532 -5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.667 13.551 -8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.012 14.791 -7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.436 13.095 -6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.054 11.915 -8.068 1.00 0.00 H new