USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 CYS SG : rot 164:sc= -0.528 USER MOD Set 1.2: A 19 CYS SG : rot -79:sc= 0.844 USER MOD Set 1.3: A 21 THR OG1 : rot 109:sc= 1.35 USER MOD Set 1.4: A 41 CYS SG : rot 168:sc= 0.254 USER MOD Set 1.5: A 43 HIS : no HD1:sc=-0.00558 X(o=-0.58,f=-0.59) USER MOD Set 1.6: A 44 CYS SG : rot -65:sc= -2.5! USER MOD Set 2.1: A 11 MET CE :methyl 152:sc= -0.608 (180deg=-0.0332) USER MOD Set 2.2: A 26 THR OG1 : rot 110:sc= -1.06 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 163:sc= -2.36 (180deg=-3.14!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -161:sc= -0.13 (180deg=-0.567) USER MOD Single : A 20 ASN : amide:sc= -0.0437 X(o=-0.044,f=-0.041) USER MOD Single : A 23 SER OG : rot 90:sc= -1.75 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0478 USER MOD Single : A 25 HIS : no HD1:sc= -0.886 X(o=-0.89,f=-1.2) USER MOD Single : A 27 MET CE :methyl -154:sc= -1.98 (180deg=-5.39!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0673 USER MOD Single : A 29 LYS NZ :NH3+ -165:sc=-0.00892 (180deg=-0.152) USER MOD Single : A 30 GLN : amide:sc= -0.403 X(o=-0.4,f=0.089) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -130:sc= -1.85 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000643) USER MOD Single : A 48 HIS : no HE2:sc= -2.86 X(o=-2.9,f=-3.2) USER MOD Single : A 53 HIS : no HD1:sc= -0.245 K(o=-0.24,f=-0.99) USER MOD Single : A 55 LYS NZ :NH3+ 170:sc= 0.171 (180deg=0.142) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -1.21 F(o=-2,f=-1.2) USER MOD Single : A 61 HIS : no HD1:sc= -0.0906 X(o=-0.091,f=0.0082) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 66 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 68 MET CE :methyl -162:sc= -1.51 (180deg=-1.97!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N LYS A 9 -3.319 -19.733 -2.443 1.00 0.00 N ATOM 118 CA LYS A 9 -4.017 -20.706 -1.611 1.00 0.00 C ATOM 119 C LYS A 9 -3.026 -21.605 -0.877 1.00 0.00 C ATOM 120 O LYS A 9 -1.899 -21.800 -1.330 1.00 0.00 O ATOM 121 CB LYS A 9 -4.958 -21.557 -2.466 1.00 0.00 C ATOM 122 CG LYS A 9 -4.239 -22.403 -3.503 1.00 0.00 C ATOM 123 CD LYS A 9 -4.116 -21.673 -4.830 1.00 0.00 C ATOM 124 CE LYS A 9 -2.778 -21.954 -5.498 1.00 0.00 C ATOM 125 NZ LYS A 9 -2.671 -21.288 -6.826 1.00 0.00 N ATOM 0 HA LYS A 9 -4.602 -20.160 -0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.537 -22.211 -1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.668 -20.902 -2.972 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.246 -22.663 -3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.780 -23.338 -3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.926 -21.980 -5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.225 -20.601 -4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.970 -21.609 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.652 -23.030 -5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.746 -21.503 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.426 -21.636 -7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.766 -20.259 -6.707 1.00 0.00 H new ATOM 139 N MET A 10 -3.456 -22.150 0.256 1.00 0.00 N ATOM 140 CA MET A 10 -2.607 -23.030 1.050 1.00 0.00 C ATOM 141 C MET A 10 -3.416 -24.185 1.632 1.00 0.00 C ATOM 142 O MET A 10 -4.609 -24.047 1.899 1.00 0.00 O ATOM 143 CB MET A 10 -1.934 -22.245 2.177 1.00 0.00 C ATOM 144 CG MET A 10 -2.867 -21.274 2.883 1.00 0.00 C ATOM 145 SD MET A 10 -2.435 -21.032 4.616 1.00 0.00 S ATOM 146 CE MET A 10 -3.618 -22.114 5.414 1.00 0.00 C ATOM 0 H MET A 10 -4.387 -21.998 0.645 1.00 0.00 H new ATOM 0 HA MET A 10 -1.839 -23.441 0.395 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.533 -22.947 2.908 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.088 -21.692 1.769 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.842 -20.313 2.369 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.890 -21.645 2.816 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.298 -22.312 6.437 1.00 0.00 H new ATOM 0 HE2 MET A 10 -4.597 -21.636 5.427 1.00 0.00 H new ATOM 0 HE3 MET A 10 -3.680 -23.053 4.865 1.00 0.00 H new ATOM 156 N MET A 11 -2.758 -25.324 1.826 1.00 0.00 N ATOM 157 CA MET A 11 -3.417 -26.502 2.378 1.00 0.00 C ATOM 158 C MET A 11 -3.068 -26.680 3.852 1.00 0.00 C ATOM 159 O MET A 11 -1.921 -26.483 4.256 1.00 0.00 O ATOM 160 CB MET A 11 -3.015 -27.752 1.593 1.00 0.00 C ATOM 161 CG MET A 11 -4.045 -28.868 1.658 1.00 0.00 C ATOM 162 SD MET A 11 -3.549 -30.327 0.722 1.00 0.00 S ATOM 163 CE MET A 11 -3.893 -29.788 -0.951 1.00 0.00 C ATOM 0 H MET A 11 -1.770 -25.456 1.609 1.00 0.00 H new ATOM 0 HA MET A 11 -4.494 -26.358 2.293 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.852 -27.479 0.550 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.065 -28.123 1.978 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.207 -29.147 2.699 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.997 -28.501 1.274 1.00 0.00 H new ATOM 0 HE1 MET A 11 -3.227 -30.303 -1.643 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.928 -30.020 -1.202 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.733 -28.712 -1.027 1.00 0.00 H new ATOM 173 N ILE A 12 -4.063 -27.053 4.651 1.00 0.00 N ATOM 174 CA ILE A 12 -3.859 -27.257 6.079 1.00 0.00 C ATOM 175 C ILE A 12 -4.751 -28.376 6.607 1.00 0.00 C ATOM 176 O ILE A 12 -5.973 -28.325 6.473 1.00 0.00 O ATOM 177 CB ILE A 12 -4.142 -25.971 6.878 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.461 -25.342 6.424 1.00 0.00 C ATOM 179 CG2 ILE A 12 -2.995 -24.984 6.717 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.279 -24.767 7.559 1.00 0.00 C ATOM 0 H ILE A 12 -5.018 -27.220 4.333 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.813 -27.535 6.212 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.229 -26.228 7.934 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.248 -24.552 5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.054 -26.095 5.905 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.210 -24.080 7.287 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.073 -25.435 7.084 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.879 -24.729 5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.200 -24.338 7.163 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.523 -25.558 8.269 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.705 -23.990 8.064 1.00 0.00 H new ATOM 192 N ALA A 13 -4.130 -29.386 7.209 1.00 0.00 N ATOM 193 CA ALA A 13 -4.868 -30.516 7.760 1.00 0.00 C ATOM 194 C ALA A 13 -5.185 -30.297 9.236 1.00 0.00 C ATOM 195 O ALA A 13 -4.323 -29.884 10.012 1.00 0.00 O ATOM 196 CB ALA A 13 -4.078 -31.803 7.574 1.00 0.00 C ATOM 0 H ALA A 13 -3.119 -29.444 7.327 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.812 -30.600 7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.641 -32.639 7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.906 -31.974 6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.120 -31.719 8.087 1.00 0.00 H new ATOM 202 N PHE A 14 -6.428 -30.574 9.616 1.00 0.00 N ATOM 203 CA PHE A 14 -6.859 -30.406 10.999 1.00 0.00 C ATOM 204 C PHE A 14 -7.566 -31.660 11.505 1.00 0.00 C ATOM 205 O PHE A 14 -8.371 -32.263 10.794 1.00 0.00 O ATOM 206 CB PHE A 14 -7.790 -29.197 11.121 1.00 0.00 C ATOM 207 CG PHE A 14 -9.247 -29.561 11.123 1.00 0.00 C ATOM 208 CD1 PHE A 14 -9.937 -29.719 9.932 1.00 0.00 C ATOM 209 CD2 PHE A 14 -9.927 -29.745 12.317 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.278 -30.054 9.931 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.268 -30.080 12.321 1.00 0.00 C ATOM 212 CZ PHE A 14 -11.945 -30.234 11.127 1.00 0.00 C ATOM 0 H PHE A 14 -7.154 -30.916 8.986 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.973 -30.238 11.612 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.557 -28.660 12.040 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.595 -28.514 10.294 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.421 -29.579 8.994 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.403 -29.625 13.254 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.804 -30.175 8.996 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.786 -30.221 13.258 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.993 -30.494 11.129 1.00 0.00 H new ATOM 222 N THR A 15 -7.259 -32.048 12.739 1.00 0.00 N ATOM 223 CA THR A 15 -7.862 -33.231 13.340 1.00 0.00 C ATOM 224 C THR A 15 -9.229 -32.909 13.934 1.00 0.00 C ATOM 225 O THR A 15 -9.328 -32.217 14.948 1.00 0.00 O ATOM 226 CB THR A 15 -6.963 -33.822 14.442 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.595 -33.807 14.018 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.380 -35.246 14.775 1.00 0.00 C ATOM 0 H THR A 15 -6.596 -31.560 13.342 1.00 0.00 H new ATOM 0 HA THR A 15 -7.978 -33.966 12.543 1.00 0.00 H new ATOM 0 HB THR A 15 -7.073 -33.210 15.337 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.029 -34.183 14.725 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.731 -35.642 15.556 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.412 -35.250 15.125 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.296 -35.868 13.883 1.00 0.00 H new ATOM 236 N CYS A 16 -10.279 -33.415 13.298 1.00 0.00 N ATOM 237 CA CYS A 16 -11.642 -33.181 13.764 1.00 0.00 C ATOM 238 C CYS A 16 -11.876 -33.850 15.114 1.00 0.00 C ATOM 239 O CYS A 16 -11.936 -35.076 15.210 1.00 0.00 O ATOM 240 CB CYS A 16 -12.650 -33.703 12.740 1.00 0.00 C ATOM 241 SG CYS A 16 -14.332 -33.085 12.979 1.00 0.00 S ATOM 0 H CYS A 16 -10.214 -33.990 12.458 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.780 -32.106 13.883 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.312 -33.428 11.741 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.665 -34.792 12.783 1.00 0.00 H new ATOM 0 HG CYS A 16 -15.028 -33.294 11.901 1.00 0.00 H new ATOM 246 N LYS A 17 -12.008 -33.037 16.157 1.00 0.00 N ATOM 247 CA LYS A 17 -12.236 -33.549 17.503 1.00 0.00 C ATOM 248 C LYS A 17 -13.645 -34.118 17.637 1.00 0.00 C ATOM 249 O LYS A 17 -13.971 -34.768 18.631 1.00 0.00 O ATOM 250 CB LYS A 17 -12.022 -32.440 18.536 1.00 0.00 C ATOM 251 CG LYS A 17 -10.626 -31.841 18.504 1.00 0.00 C ATOM 252 CD LYS A 17 -9.609 -32.763 19.155 1.00 0.00 C ATOM 253 CE LYS A 17 -8.185 -32.296 18.893 1.00 0.00 C ATOM 254 NZ LYS A 17 -7.233 -32.818 19.912 1.00 0.00 N ATOM 0 H LYS A 17 -11.961 -32.020 16.096 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.520 -34.350 17.686 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.752 -31.649 18.364 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.214 -32.840 19.532 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.335 -31.648 17.471 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.629 -30.880 19.019 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.788 -32.803 20.229 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.737 -33.776 18.773 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.872 -32.624 17.902 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.155 -31.206 18.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.274 -32.477 19.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.517 -32.484 20.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.243 -33.858 19.896 1.00 0.00 H new ATOM 268 N LYS A 18 -14.476 -33.871 16.631 1.00 0.00 N ATOM 269 CA LYS A 18 -15.850 -34.360 16.634 1.00 0.00 C ATOM 270 C LYS A 18 -15.890 -35.868 16.407 1.00 0.00 C ATOM 271 O LYS A 18 -16.411 -36.616 17.235 1.00 0.00 O ATOM 272 CB LYS A 18 -16.669 -33.649 15.555 1.00 0.00 C ATOM 273 CG LYS A 18 -16.448 -32.147 15.515 1.00 0.00 C ATOM 274 CD LYS A 18 -17.288 -31.488 14.433 1.00 0.00 C ATOM 275 CE LYS A 18 -17.221 -29.971 14.522 1.00 0.00 C ATOM 276 NZ LYS A 18 -17.678 -29.473 15.849 1.00 0.00 N ATOM 0 H LYS A 18 -14.222 -33.334 15.802 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.284 -34.145 17.610 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.417 -34.071 14.582 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.727 -33.848 15.724 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.698 -31.716 16.484 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.393 -31.938 15.336 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.939 -31.812 13.452 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.324 -31.814 14.526 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.198 -29.641 14.343 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.838 -29.533 13.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.925 -28.466 15.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.513 -30.013 16.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.915 -29.592 16.546 1.00 0.00 H new ATOM 290 N CYS A 19 -15.337 -36.307 15.282 1.00 0.00 N ATOM 291 CA CYS A 19 -15.310 -37.727 14.947 1.00 0.00 C ATOM 292 C CYS A 19 -13.876 -38.244 14.887 1.00 0.00 C ATOM 293 O CYS A 19 -13.602 -39.272 14.270 1.00 0.00 O ATOM 294 CB CYS A 19 -16.008 -37.969 13.608 1.00 0.00 C ATOM 295 SG CYS A 19 -15.445 -36.886 12.274 1.00 0.00 S ATOM 0 H CYS A 19 -14.901 -35.701 14.587 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.841 -38.270 15.729 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.850 -39.006 13.311 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.082 -37.835 13.741 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.007 -35.720 12.395 1.00 0.00 H new ATOM 300 N ASN A 20 -12.966 -37.523 15.533 1.00 0.00 N ATOM 301 CA ASN A 20 -11.559 -37.908 15.552 1.00 0.00 C ATOM 302 C ASN A 20 -11.063 -38.226 14.144 1.00 0.00 C ATOM 303 O ASN A 20 -10.223 -39.106 13.953 1.00 0.00 O ATOM 304 CB ASN A 20 -11.352 -39.119 16.463 1.00 0.00 C ATOM 305 CG ASN A 20 -9.919 -39.244 16.943 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.447 -38.433 17.740 1.00 0.00 O ATOM 307 ND2 ASN A 20 -9.219 -40.262 16.457 1.00 0.00 N ATOM 0 H ASN A 20 -13.177 -36.669 16.050 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.983 -37.068 15.940 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.015 -39.040 17.324 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.633 -40.026 15.927 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.249 -40.396 16.742 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.651 -40.910 15.798 1.00 0.00 H new ATOM 314 N THR A 21 -11.589 -37.503 13.160 1.00 0.00 N ATOM 315 CA THR A 21 -11.201 -37.708 11.770 1.00 0.00 C ATOM 316 C THR A 21 -10.348 -36.552 11.261 1.00 0.00 C ATOM 317 O THR A 21 -10.698 -35.385 11.438 1.00 0.00 O ATOM 318 CB THR A 21 -12.434 -37.861 10.859 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.280 -38.905 11.352 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.016 -38.171 9.430 1.00 0.00 C ATOM 0 H THR A 21 -12.285 -36.770 13.300 1.00 0.00 H new ATOM 0 HA THR A 21 -10.618 -38.628 11.737 1.00 0.00 H new ATOM 0 HB THR A 21 -12.981 -36.918 10.863 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.096 -38.514 11.728 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.903 -38.275 8.806 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.396 -37.360 9.048 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.448 -39.101 9.411 1.00 0.00 H new ATOM 328 N ARG A 22 -9.227 -36.883 10.629 1.00 0.00 N ATOM 329 CA ARG A 22 -8.323 -35.871 10.095 1.00 0.00 C ATOM 330 C ARG A 22 -8.482 -35.745 8.582 1.00 0.00 C ATOM 331 O ARG A 22 -8.632 -36.743 7.878 1.00 0.00 O ATOM 332 CB ARG A 22 -6.874 -36.219 10.439 1.00 0.00 C ATOM 333 CG ARG A 22 -6.003 -35.002 10.708 1.00 0.00 C ATOM 334 CD ARG A 22 -5.285 -34.542 9.449 1.00 0.00 C ATOM 335 NE ARG A 22 -4.005 -35.223 9.270 1.00 0.00 N ATOM 336 CZ ARG A 22 -2.890 -34.867 9.898 1.00 0.00 C ATOM 337 NH1 ARG A 22 -2.897 -33.845 10.742 1.00 0.00 N ATOM 338 NH2 ARG A 22 -1.764 -35.536 9.682 1.00 0.00 N ATOM 0 H ARG A 22 -8.923 -37.844 10.474 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.578 -34.914 10.551 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.863 -36.865 11.317 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.442 -36.790 9.618 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.619 -34.190 11.094 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.271 -35.241 11.479 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.919 -34.727 8.582 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.119 -33.466 9.499 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.965 -36.015 8.628 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.761 -33.329 10.911 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.039 -33.574 11.222 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.755 -36.323 9.034 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.908 -35.263 10.164 1.00 0.00 H new ATOM 352 N SER A 23 -8.447 -34.511 8.090 1.00 0.00 N ATOM 353 CA SER A 23 -8.592 -34.253 6.662 1.00 0.00 C ATOM 354 C SER A 23 -7.889 -32.957 6.270 1.00 0.00 C ATOM 355 O SER A 23 -7.781 -32.030 7.072 1.00 0.00 O ATOM 356 CB SER A 23 -10.072 -34.179 6.283 1.00 0.00 C ATOM 357 OG SER A 23 -10.797 -35.260 6.842 1.00 0.00 O ATOM 0 H SER A 23 -8.320 -33.674 8.659 1.00 0.00 H new ATOM 0 HA SER A 23 -8.127 -35.076 6.120 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.493 -33.236 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.174 -34.192 5.198 1.00 0.00 H new ATOM 0 HG SER A 23 -11.131 -35.006 7.728 1.00 0.00 H new ATOM 363 N SER A 24 -7.412 -32.901 5.030 1.00 0.00 N ATOM 364 CA SER A 24 -6.716 -31.721 4.532 1.00 0.00 C ATOM 365 C SER A 24 -7.654 -30.844 3.708 1.00 0.00 C ATOM 366 O SER A 24 -8.536 -31.344 3.008 1.00 0.00 O ATOM 367 CB SER A 24 -5.511 -32.134 3.685 1.00 0.00 C ATOM 368 OG SER A 24 -5.634 -33.474 3.242 1.00 0.00 O ATOM 0 H SER A 24 -7.495 -33.659 4.353 1.00 0.00 H new ATOM 0 HA SER A 24 -6.369 -31.145 5.390 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.422 -31.470 2.825 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.597 -32.023 4.269 1.00 0.00 H new ATOM 0 HG SER A 24 -4.852 -33.713 2.701 1.00 0.00 H new ATOM 374 N HIS A 25 -7.459 -29.532 3.797 1.00 0.00 N ATOM 375 CA HIS A 25 -8.287 -28.584 3.060 1.00 0.00 C ATOM 376 C HIS A 25 -7.447 -27.424 2.534 1.00 0.00 C ATOM 377 O HIS A 25 -6.616 -26.868 3.254 1.00 0.00 O ATOM 378 CB HIS A 25 -9.409 -28.053 3.953 1.00 0.00 C ATOM 379 CG HIS A 25 -9.964 -29.080 4.892 1.00 0.00 C ATOM 380 ND1 HIS A 25 -11.102 -29.810 4.622 1.00 0.00 N ATOM 381 CD2 HIS A 25 -9.529 -29.498 6.103 1.00 0.00 C ATOM 382 CE1 HIS A 25 -11.344 -30.631 5.627 1.00 0.00 C ATOM 383 NE2 HIS A 25 -10.404 -30.462 6.539 1.00 0.00 N ATOM 0 H HIS A 25 -6.735 -29.101 4.372 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.726 -29.106 2.210 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.033 -27.209 4.532 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.215 -27.675 3.324 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.656 -29.140 6.629 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.170 -31.323 5.692 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.339 -30.966 7.424 1.00 0.00 H new ATOM 391 N THR A 26 -7.669 -27.062 1.275 1.00 0.00 N ATOM 392 CA THR A 26 -6.932 -25.969 0.652 1.00 0.00 C ATOM 393 C THR A 26 -7.823 -24.750 0.449 1.00 0.00 C ATOM 394 O THR A 26 -8.876 -24.837 -0.181 1.00 0.00 O ATOM 395 CB THR A 26 -6.343 -26.392 -0.707 1.00 0.00 C ATOM 396 OG1 THR A 26 -5.989 -27.779 -0.678 1.00 0.00 O ATOM 397 CG2 THR A 26 -5.118 -25.558 -1.049 1.00 0.00 C ATOM 0 H THR A 26 -8.354 -27.510 0.666 1.00 0.00 H new ATOM 0 HA THR A 26 -6.117 -25.711 1.329 1.00 0.00 H new ATOM 0 HB THR A 26 -7.101 -26.227 -1.473 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.604 -28.286 -1.249 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.720 -25.875 -2.013 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.397 -24.506 -1.100 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.358 -25.695 -0.280 1.00 0.00 H new ATOM 405 N MET A 27 -7.394 -23.613 0.988 1.00 0.00 N ATOM 406 CA MET A 27 -8.154 -22.374 0.864 1.00 0.00 C ATOM 407 C MET A 27 -7.231 -21.198 0.560 1.00 0.00 C ATOM 408 O MET A 27 -6.019 -21.283 0.755 1.00 0.00 O ATOM 409 CB MET A 27 -8.940 -22.103 2.148 1.00 0.00 C ATOM 410 CG MET A 27 -8.059 -21.783 3.344 1.00 0.00 C ATOM 411 SD MET A 27 -7.460 -23.264 4.181 1.00 0.00 S ATOM 412 CE MET A 27 -9.005 -24.003 4.707 1.00 0.00 C ATOM 0 H MET A 27 -6.525 -23.524 1.514 1.00 0.00 H new ATOM 0 HA MET A 27 -8.853 -22.487 0.036 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.623 -21.271 1.977 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.552 -22.975 2.381 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.208 -21.187 3.014 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.621 -21.173 4.051 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.831 -24.624 5.586 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.719 -23.217 4.954 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.407 -24.618 3.902 1.00 0.00 H new ATOM 422 N SER A 28 -7.813 -20.103 0.082 1.00 0.00 N ATOM 423 CA SER A 28 -7.042 -18.912 -0.252 1.00 0.00 C ATOM 424 C SER A 28 -6.275 -18.402 0.965 1.00 0.00 C ATOM 425 O SER A 28 -6.851 -18.190 2.032 1.00 0.00 O ATOM 426 CB SER A 28 -7.965 -17.814 -0.784 1.00 0.00 C ATOM 427 OG SER A 28 -7.311 -16.556 -0.790 1.00 0.00 O ATOM 0 H SER A 28 -8.816 -20.016 -0.083 1.00 0.00 H new ATOM 0 HA SER A 28 -6.323 -19.180 -1.027 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.288 -18.064 -1.795 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.862 -17.758 -0.167 1.00 0.00 H new ATOM 0 HG SER A 28 -7.921 -15.872 -1.136 1.00 0.00 H new ATOM 433 N LYS A 29 -4.972 -18.206 0.795 1.00 0.00 N ATOM 434 CA LYS A 29 -4.124 -17.720 1.877 1.00 0.00 C ATOM 435 C LYS A 29 -4.579 -16.342 2.348 1.00 0.00 C ATOM 436 O LYS A 29 -4.539 -16.040 3.540 1.00 0.00 O ATOM 437 CB LYS A 29 -2.665 -17.658 1.421 1.00 0.00 C ATOM 438 CG LYS A 29 -1.669 -17.981 2.521 1.00 0.00 C ATOM 439 CD LYS A 29 -1.144 -16.720 3.186 1.00 0.00 C ATOM 440 CE LYS A 29 -0.081 -16.042 2.335 1.00 0.00 C ATOM 441 NZ LYS A 29 1.196 -16.809 2.329 1.00 0.00 N ATOM 0 H LYS A 29 -4.480 -18.376 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.208 -18.416 2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.521 -18.356 0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.456 -16.660 1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.144 -18.617 3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.836 -18.547 2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.969 -16.028 3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.726 -16.969 4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.446 -15.936 1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.101 -15.036 2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.961 -16.207 1.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.426 -17.108 3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.094 -17.648 1.723 1.00 0.00 H new ATOM 455 N GLN A 30 -5.013 -15.512 1.405 1.00 0.00 N ATOM 456 CA GLN A 30 -5.476 -14.167 1.724 1.00 0.00 C ATOM 457 C GLN A 30 -6.796 -14.214 2.487 1.00 0.00 C ATOM 458 O GLN A 30 -7.015 -13.437 3.417 1.00 0.00 O ATOM 459 CB GLN A 30 -5.641 -13.344 0.446 1.00 0.00 C ATOM 460 CG GLN A 30 -5.335 -11.866 0.630 1.00 0.00 C ATOM 461 CD GLN A 30 -6.580 -11.003 0.584 1.00 0.00 C ATOM 462 OE1 GLN A 30 -7.179 -10.813 -0.475 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.978 -10.475 1.736 1.00 0.00 N ATOM 0 H GLN A 30 -5.054 -15.748 0.413 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.727 -13.693 2.358 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.985 -13.749 -0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.663 -13.452 0.083 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.831 -11.719 1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.644 -11.542 -0.148 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.452 -10.659 2.590 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.810 -9.886 1.767 1.00 0.00 H new ATOM 472 N ALA A 31 -7.673 -15.128 2.087 1.00 0.00 N ATOM 473 CA ALA A 31 -8.971 -15.277 2.734 1.00 0.00 C ATOM 474 C ALA A 31 -8.826 -15.900 4.118 1.00 0.00 C ATOM 475 O ALA A 31 -9.590 -15.588 5.033 1.00 0.00 O ATOM 476 CB ALA A 31 -9.899 -16.117 1.869 1.00 0.00 C ATOM 0 H ALA A 31 -7.508 -15.777 1.318 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.405 -14.284 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.864 -16.220 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.037 -15.630 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.462 -17.104 1.718 1.00 0.00 H new ATOM 482 N TYR A 32 -7.844 -16.781 4.265 1.00 0.00 N ATOM 483 CA TYR A 32 -7.602 -17.450 5.538 1.00 0.00 C ATOM 484 C TYR A 32 -6.855 -16.533 6.502 1.00 0.00 C ATOM 485 O TYR A 32 -7.240 -16.391 7.662 1.00 0.00 O ATOM 486 CB TYR A 32 -6.803 -18.736 5.318 1.00 0.00 C ATOM 487 CG TYR A 32 -6.349 -19.394 6.602 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.135 -19.057 7.187 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.135 -20.353 7.229 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.717 -19.656 8.359 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.726 -20.956 8.402 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.515 -20.605 8.963 1.00 0.00 C ATOM 493 OH TYR A 32 -5.103 -21.203 10.132 1.00 0.00 O ATOM 0 H TYR A 32 -7.202 -17.049 3.519 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.568 -17.700 5.977 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.414 -19.441 4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.929 -18.511 4.706 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.507 -18.314 6.717 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.082 -20.632 6.791 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.770 -19.383 8.800 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.350 -21.698 8.878 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.781 -21.847 10.427 1.00 0.00 H new ATOM 503 N GLU A 33 -5.786 -15.914 6.012 1.00 0.00 N ATOM 504 CA GLU A 33 -4.986 -15.010 6.830 1.00 0.00 C ATOM 505 C GLU A 33 -5.742 -13.715 7.109 1.00 0.00 C ATOM 506 O GLU A 33 -5.595 -13.113 8.173 1.00 0.00 O ATOM 507 CB GLU A 33 -3.658 -14.699 6.135 1.00 0.00 C ATOM 508 CG GLU A 33 -2.679 -15.861 6.146 1.00 0.00 C ATOM 509 CD GLU A 33 -1.234 -15.407 6.084 1.00 0.00 C ATOM 510 OE1 GLU A 33 -0.996 -14.232 5.731 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.340 -16.224 6.389 1.00 0.00 O ATOM 0 H GLU A 33 -5.454 -16.022 5.054 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.784 -15.504 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.856 -14.412 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.195 -13.840 6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.832 -16.451 7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.887 -16.515 5.299 1.00 0.00 H new ATOM 518 N LYS A 34 -6.552 -13.290 6.145 1.00 0.00 N ATOM 519 CA LYS A 34 -7.333 -12.066 6.285 1.00 0.00 C ATOM 520 C LYS A 34 -8.758 -12.271 5.783 1.00 0.00 C ATOM 521 O LYS A 34 -9.136 -11.755 4.731 1.00 0.00 O ATOM 522 CB LYS A 34 -6.668 -10.922 5.516 1.00 0.00 C ATOM 523 CG LYS A 34 -5.178 -10.796 5.781 1.00 0.00 C ATOM 524 CD LYS A 34 -4.901 -10.370 7.213 1.00 0.00 C ATOM 525 CE LYS A 34 -3.560 -10.896 7.701 1.00 0.00 C ATOM 526 NZ LYS A 34 -2.451 -9.947 7.404 1.00 0.00 N ATOM 0 H LYS A 34 -6.685 -13.775 5.258 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.373 -11.808 7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.827 -11.073 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.156 -9.985 5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.690 -11.751 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.745 -10.069 5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.912 -9.282 7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.695 -10.737 7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.609 -11.073 8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.353 -11.856 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.554 -10.342 7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.388 -9.797 6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.636 -9.039 7.876 1.00 0.00 H new ATOM 540 N GLY A 35 -9.547 -13.026 6.542 1.00 0.00 N ATOM 541 CA GLY A 35 -10.922 -13.283 6.157 1.00 0.00 C ATOM 542 C GLY A 35 -11.481 -14.534 6.805 1.00 0.00 C ATOM 543 O GLY A 35 -10.826 -15.155 7.644 1.00 0.00 O ATOM 0 H GLY A 35 -9.258 -13.464 7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.539 -12.428 6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.980 -13.382 5.073 1.00 0.00 H new ATOM 547 N THR A 36 -12.696 -14.907 6.417 1.00 0.00 N ATOM 548 CA THR A 36 -13.345 -16.091 6.967 1.00 0.00 C ATOM 549 C THR A 36 -13.112 -17.308 6.079 1.00 0.00 C ATOM 550 O THR A 36 -13.094 -17.200 4.853 1.00 0.00 O ATOM 551 CB THR A 36 -14.860 -15.874 7.136 1.00 0.00 C ATOM 552 OG1 THR A 36 -15.130 -14.496 7.414 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.409 -16.741 8.259 1.00 0.00 C ATOM 0 H THR A 36 -13.251 -14.406 5.723 1.00 0.00 H new ATOM 0 HA THR A 36 -12.900 -16.269 7.946 1.00 0.00 H new ATOM 0 HB THR A 36 -15.351 -16.159 6.206 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.715 -14.429 8.197 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.481 -16.570 8.360 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.229 -17.791 8.029 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.911 -16.483 9.194 1.00 0.00 H new ATOM 561 N VAL A 37 -12.935 -18.467 6.706 1.00 0.00 N ATOM 562 CA VAL A 37 -12.706 -19.706 5.972 1.00 0.00 C ATOM 563 C VAL A 37 -13.464 -20.868 6.604 1.00 0.00 C ATOM 564 O VAL A 37 -13.356 -21.113 7.806 1.00 0.00 O ATOM 565 CB VAL A 37 -11.207 -20.055 5.915 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.488 -19.163 4.915 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.580 -19.935 7.296 1.00 0.00 C ATOM 0 H VAL A 37 -12.946 -18.574 7.720 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.073 -19.546 4.958 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.105 -21.088 5.582 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.430 -19.425 4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.921 -19.304 3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.597 -18.120 5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.521 -20.185 7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.692 -18.913 7.659 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.077 -20.620 7.982 1.00 0.00 H new ATOM 577 N LEU A 38 -14.230 -21.581 5.787 1.00 0.00 N ATOM 578 CA LEU A 38 -15.007 -22.719 6.265 1.00 0.00 C ATOM 579 C LEU A 38 -14.616 -23.995 5.527 1.00 0.00 C ATOM 580 O LEU A 38 -14.543 -24.015 4.298 1.00 0.00 O ATOM 581 CB LEU A 38 -16.503 -22.452 6.088 1.00 0.00 C ATOM 582 CG LEU A 38 -17.174 -21.633 7.191 1.00 0.00 C ATOM 583 CD1 LEU A 38 -16.784 -20.168 7.081 1.00 0.00 C ATOM 584 CD2 LEU A 38 -18.686 -21.791 7.127 1.00 0.00 C ATOM 0 H LEU A 38 -14.330 -21.391 4.790 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.791 -22.854 7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.650 -21.936 5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.016 -23.411 6.012 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.830 -22.007 8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.271 -19.601 7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -15.703 -20.071 7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.098 -19.780 6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -19.147 -21.201 7.919 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -19.047 -21.444 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -18.948 -22.841 7.257 1.00 0.00 H new ATOM 596 N ILE A 39 -14.367 -25.058 6.284 1.00 0.00 N ATOM 597 CA ILE A 39 -13.986 -26.339 5.701 1.00 0.00 C ATOM 598 C ILE A 39 -14.894 -27.459 6.194 1.00 0.00 C ATOM 599 O ILE A 39 -15.268 -27.498 7.367 1.00 0.00 O ATOM 600 CB ILE A 39 -12.524 -26.695 6.030 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.257 -26.516 7.526 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.572 -25.836 5.210 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.192 -27.446 8.065 1.00 0.00 C ATOM 0 H ILE A 39 -14.422 -25.058 7.303 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.092 -26.238 4.621 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.353 -27.740 5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.956 -25.485 7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.184 -26.682 8.075 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.543 -26.099 5.454 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.749 -26.008 4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.741 -24.784 5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.055 -27.264 9.131 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.500 -28.480 7.910 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.253 -27.265 7.542 1.00 0.00 H new ATOM 615 N SER A 40 -15.245 -28.371 5.292 1.00 0.00 N ATOM 616 CA SER A 40 -16.111 -29.492 5.636 1.00 0.00 C ATOM 617 C SER A 40 -15.293 -30.757 5.877 1.00 0.00 C ATOM 618 O SER A 40 -14.379 -31.073 5.114 1.00 0.00 O ATOM 619 CB SER A 40 -17.131 -29.736 4.521 1.00 0.00 C ATOM 620 OG SER A 40 -17.745 -31.005 4.661 1.00 0.00 O ATOM 0 H SER A 40 -14.943 -28.355 4.318 1.00 0.00 H new ATOM 0 HA SER A 40 -16.640 -29.242 6.556 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.892 -28.956 4.543 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.637 -29.672 3.551 1.00 0.00 H new ATOM 0 HG SER A 40 -18.393 -31.136 3.938 1.00 0.00 H new ATOM 626 N CYS A 41 -15.627 -31.476 6.943 1.00 0.00 N ATOM 627 CA CYS A 41 -14.923 -32.706 7.287 1.00 0.00 C ATOM 628 C CYS A 41 -15.532 -33.902 6.562 1.00 0.00 C ATOM 629 O CYS A 41 -16.710 -34.222 6.723 1.00 0.00 O ATOM 630 CB CYS A 41 -14.963 -32.936 8.798 1.00 0.00 C ATOM 631 SG CYS A 41 -14.318 -34.543 9.318 1.00 0.00 S ATOM 0 H CYS A 41 -16.381 -31.228 7.584 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.885 -32.602 6.970 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.389 -32.150 9.290 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -15.993 -32.841 9.142 1.00 0.00 H new ATOM 0 HG CYS A 41 -14.158 -34.550 10.608 1.00 0.00 H new ATOM 636 N PRO A 42 -14.713 -34.577 5.742 1.00 0.00 N ATOM 637 CA PRO A 42 -15.150 -35.748 4.975 1.00 0.00 C ATOM 638 C PRO A 42 -15.418 -36.957 5.865 1.00 0.00 C ATOM 639 O PRO A 42 -14.704 -37.958 5.799 1.00 0.00 O ATOM 640 CB PRO A 42 -13.968 -36.021 4.042 1.00 0.00 C ATOM 641 CG PRO A 42 -12.788 -35.448 4.747 1.00 0.00 C ATOM 642 CD PRO A 42 -13.298 -34.251 5.502 1.00 0.00 C ATOM 0 HA PRO A 42 -16.090 -35.567 4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.843 -37.089 3.864 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.115 -35.551 3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.346 -36.178 5.425 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.011 -35.161 4.038 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.756 -34.104 6.436 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.189 -33.334 4.923 1.00 0.00 H new ATOM 650 N HIS A 43 -16.451 -36.858 6.695 1.00 0.00 N ATOM 651 CA HIS A 43 -16.813 -37.945 7.598 1.00 0.00 C ATOM 652 C HIS A 43 -18.101 -37.622 8.348 1.00 0.00 C ATOM 653 O HIS A 43 -19.136 -38.252 8.125 1.00 0.00 O ATOM 654 CB HIS A 43 -15.682 -38.209 8.592 1.00 0.00 C ATOM 655 CG HIS A 43 -15.737 -39.570 9.215 1.00 0.00 C ATOM 656 ND1 HIS A 43 -15.406 -40.723 8.535 1.00 0.00 N ATOM 657 CD2 HIS A 43 -16.086 -39.959 10.464 1.00 0.00 C ATOM 658 CE1 HIS A 43 -15.551 -41.762 9.338 1.00 0.00 C ATOM 659 NE2 HIS A 43 -15.962 -41.325 10.515 1.00 0.00 N ATOM 0 H HIS A 43 -17.052 -36.037 6.761 1.00 0.00 H new ATOM 0 HA HIS A 43 -16.977 -38.842 7.000 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -14.726 -38.090 8.082 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -15.719 -37.456 9.380 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -16.403 -39.314 11.270 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.365 -42.793 9.077 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.156 -41.908 11.329 1.00 0.00 H new ATOM 667 N CYS A 44 -18.030 -36.639 9.239 1.00 0.00 N ATOM 668 CA CYS A 44 -19.191 -36.233 10.024 1.00 0.00 C ATOM 669 C CYS A 44 -20.113 -35.334 9.206 1.00 0.00 C ATOM 670 O CYS A 44 -21.230 -35.028 9.624 1.00 0.00 O ATOM 671 CB CYS A 44 -18.745 -35.506 11.293 1.00 0.00 C ATOM 672 SG CYS A 44 -17.694 -34.066 10.989 1.00 0.00 S ATOM 0 H CYS A 44 -17.181 -36.109 9.436 1.00 0.00 H new ATOM 0 HA CYS A 44 -19.742 -37.131 10.303 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.629 -35.187 11.846 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.206 -36.207 11.930 1.00 0.00 H new ATOM 0 HG CYS A 44 -16.574 -34.452 10.453 1.00 0.00 H new ATOM 677 N LYS A 45 -19.638 -34.913 8.039 1.00 0.00 N ATOM 678 CA LYS A 45 -20.418 -34.049 7.162 1.00 0.00 C ATOM 679 C LYS A 45 -20.853 -32.782 7.892 1.00 0.00 C ATOM 680 O LYS A 45 -21.967 -32.705 8.410 1.00 0.00 O ATOM 681 CB LYS A 45 -21.646 -34.795 6.637 1.00 0.00 C ATOM 682 CG LYS A 45 -21.311 -36.096 5.927 1.00 0.00 C ATOM 683 CD LYS A 45 -22.446 -36.547 5.024 1.00 0.00 C ATOM 684 CE LYS A 45 -22.105 -37.844 4.307 1.00 0.00 C ATOM 685 NZ LYS A 45 -21.115 -37.631 3.215 1.00 0.00 N ATOM 0 H LYS A 45 -18.715 -35.157 7.679 1.00 0.00 H new ATOM 0 HA LYS A 45 -19.787 -33.764 6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.315 -35.008 7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.189 -34.146 5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.404 -35.966 5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.102 -36.871 6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.351 -36.684 5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.660 -35.770 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.706 -38.561 5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -23.014 -38.280 3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.922 -38.536 2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -21.499 -36.953 2.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.232 -37.255 3.615 1.00 0.00 H new ATOM 699 N VAL A 46 -19.968 -31.791 7.928 1.00 0.00 N ATOM 700 CA VAL A 46 -20.262 -30.527 8.593 1.00 0.00 C ATOM 701 C VAL A 46 -19.127 -29.528 8.401 1.00 0.00 C ATOM 702 O VAL A 46 -17.963 -29.912 8.284 1.00 0.00 O ATOM 703 CB VAL A 46 -20.505 -30.729 10.100 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.199 -31.042 10.815 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.171 -29.500 10.701 1.00 0.00 C ATOM 0 H VAL A 46 -19.041 -31.839 7.504 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.170 -30.133 8.136 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.175 -31.578 10.232 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.391 -31.181 11.879 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.767 -31.954 10.402 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.502 -30.216 10.677 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.335 -29.660 11.767 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.528 -28.632 10.559 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.128 -29.327 10.208 1.00 0.00 H new ATOM 715 N ARG A 47 -19.473 -28.246 8.371 1.00 0.00 N ATOM 716 CA ARG A 47 -18.482 -27.191 8.194 1.00 0.00 C ATOM 717 C ARG A 47 -18.045 -26.623 9.541 1.00 0.00 C ATOM 718 O ARG A 47 -18.828 -26.576 10.490 1.00 0.00 O ATOM 719 CB ARG A 47 -19.049 -26.073 7.316 1.00 0.00 C ATOM 720 CG ARG A 47 -19.824 -26.579 6.111 1.00 0.00 C ATOM 721 CD ARG A 47 -19.746 -25.602 4.948 1.00 0.00 C ATOM 722 NE ARG A 47 -20.538 -26.047 3.805 1.00 0.00 N ATOM 723 CZ ARG A 47 -20.971 -25.232 2.849 1.00 0.00 C ATOM 724 NH1 ARG A 47 -20.689 -23.937 2.898 1.00 0.00 N ATOM 725 NH2 ARG A 47 -21.687 -25.712 1.840 1.00 0.00 N ATOM 0 H ARG A 47 -20.432 -27.912 8.467 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.611 -27.624 7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.703 -25.444 7.920 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.230 -25.442 6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.428 -27.546 5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -20.867 -26.735 6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.097 -24.623 5.273 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.706 -25.483 4.644 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.772 -27.038 3.737 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -20.138 -23.564 3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -21.023 -23.314 2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.905 -26.707 1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -22.019 -25.085 1.107 1.00 0.00 H new ATOM 739 N HIS A 48 -16.790 -26.193 9.616 1.00 0.00 N ATOM 740 CA HIS A 48 -16.248 -25.628 10.847 1.00 0.00 C ATOM 741 C HIS A 48 -15.383 -24.407 10.550 1.00 0.00 C ATOM 742 O HIS A 48 -14.768 -24.313 9.487 1.00 0.00 O ATOM 743 CB HIS A 48 -15.428 -26.678 11.598 1.00 0.00 C ATOM 744 CG HIS A 48 -15.342 -27.992 10.885 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.250 -29.012 11.075 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.449 -28.449 9.977 1.00 0.00 C ATOM 747 CE1 HIS A 48 -15.918 -30.041 10.316 1.00 0.00 C ATOM 748 NE2 HIS A 48 -14.829 -29.725 9.639 1.00 0.00 N ATOM 0 H HIS A 48 -16.129 -26.225 8.840 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.084 -25.315 11.473 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.420 -26.294 11.758 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.869 -26.836 12.582 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -17.053 -28.977 11.703 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.596 -27.911 9.590 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.447 -30.981 10.259 1.00 0.00 H new ATOM 756 N LEU A 49 -15.341 -23.473 11.494 1.00 0.00 N ATOM 757 CA LEU A 49 -14.552 -22.257 11.333 1.00 0.00 C ATOM 758 C LEU A 49 -13.102 -22.490 11.747 1.00 0.00 C ATOM 759 O LEU A 49 -12.832 -23.095 12.784 1.00 0.00 O ATOM 760 CB LEU A 49 -15.154 -21.121 12.162 1.00 0.00 C ATOM 761 CG LEU A 49 -14.762 -19.704 11.744 1.00 0.00 C ATOM 762 CD1 LEU A 49 -15.123 -19.458 10.287 1.00 0.00 C ATOM 763 CD2 LEU A 49 -15.435 -18.677 12.643 1.00 0.00 C ATOM 0 H LEU A 49 -15.844 -23.535 12.379 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.570 -21.979 10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.240 -21.203 12.120 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -14.864 -21.265 13.203 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.682 -19.600 11.852 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -14.837 -18.444 10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.594 -20.172 9.656 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -16.198 -19.582 10.153 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.144 -17.674 12.331 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.517 -18.781 12.568 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.126 -18.839 13.676 1.00 0.00 H new ATOM 775 N ILE A 50 -12.174 -22.004 10.929 1.00 0.00 N ATOM 776 CA ILE A 50 -10.752 -22.157 11.212 1.00 0.00 C ATOM 777 C ILE A 50 -10.114 -20.816 11.557 1.00 0.00 C ATOM 778 O ILE A 50 -9.453 -20.678 12.586 1.00 0.00 O ATOM 779 CB ILE A 50 -10.004 -22.776 10.017 1.00 0.00 C ATOM 780 CG1 ILE A 50 -10.959 -22.978 8.838 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.365 -24.097 10.419 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.283 -23.521 7.599 1.00 0.00 C ATOM 0 H ILE A 50 -12.381 -21.501 10.066 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.670 -22.827 12.068 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.214 -22.091 9.708 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.754 -23.661 9.138 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.432 -22.026 8.596 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.840 -24.522 9.564 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.658 -23.927 11.231 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.139 -24.789 10.751 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.020 -23.639 6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.507 -22.828 7.274 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.834 -24.489 7.824 1.00 0.00 H new ATOM 794 N ALA A 51 -10.317 -19.829 10.690 1.00 0.00 N ATOM 795 CA ALA A 51 -9.764 -18.498 10.905 1.00 0.00 C ATOM 796 C ALA A 51 -10.829 -17.423 10.710 1.00 0.00 C ATOM 797 O ALA A 51 -11.260 -17.160 9.588 1.00 0.00 O ATOM 798 CB ALA A 51 -8.590 -18.256 9.967 1.00 0.00 C ATOM 0 H ALA A 51 -10.860 -19.927 9.832 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.410 -18.441 11.934 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.187 -17.258 10.139 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.814 -18.998 10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.927 -18.338 8.934 1.00 0.00 H new ATOM 804 N ASP A 52 -11.248 -16.807 11.810 1.00 0.00 N ATOM 805 CA ASP A 52 -12.263 -15.761 11.760 1.00 0.00 C ATOM 806 C ASP A 52 -11.617 -14.381 11.675 1.00 0.00 C ATOM 807 O ASP A 52 -10.778 -14.025 12.504 1.00 0.00 O ATOM 808 CB ASP A 52 -13.168 -15.839 12.990 1.00 0.00 C ATOM 809 CG ASP A 52 -12.400 -16.175 14.254 1.00 0.00 C ATOM 810 OD1 ASP A 52 -11.222 -15.773 14.357 1.00 0.00 O ATOM 811 OD2 ASP A 52 -12.977 -16.839 15.140 1.00 0.00 O ATOM 0 H ASP A 52 -10.901 -17.014 12.747 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.866 -15.916 10.865 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.680 -14.886 13.122 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.937 -16.593 12.824 1.00 0.00 H new ATOM 816 N HIS A 53 -12.012 -13.609 10.668 1.00 0.00 N ATOM 817 CA HIS A 53 -11.471 -12.268 10.475 1.00 0.00 C ATOM 818 C HIS A 53 -12.583 -11.275 10.151 1.00 0.00 C ATOM 819 O HIS A 53 -12.573 -10.139 10.626 1.00 0.00 O ATOM 820 CB HIS A 53 -10.432 -12.271 9.354 1.00 0.00 C ATOM 821 CG HIS A 53 -9.019 -12.204 9.846 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.367 -11.016 10.102 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.133 -13.186 10.132 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.141 -11.271 10.522 1.00 0.00 C ATOM 825 NE2 HIS A 53 -6.973 -12.581 10.549 1.00 0.00 N ATOM 0 H HIS A 53 -12.704 -13.889 9.973 1.00 0.00 H new ATOM 0 HA HIS A 53 -10.991 -11.959 11.404 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.557 -13.174 8.756 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.619 -11.424 8.694 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.306 -14.249 10.048 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.401 -10.534 10.797 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.121 -13.064 10.833 1.00 0.00 H new ATOM 833 N LEU A 54 -13.540 -11.711 9.340 1.00 0.00 N ATOM 834 CA LEU A 54 -14.660 -10.860 8.951 1.00 0.00 C ATOM 835 C LEU A 54 -15.723 -10.826 10.045 1.00 0.00 C ATOM 836 O LEU A 54 -16.673 -10.046 9.979 1.00 0.00 O ATOM 837 CB LEU A 54 -15.275 -11.358 7.642 1.00 0.00 C ATOM 838 CG LEU A 54 -14.307 -11.536 6.472 1.00 0.00 C ATOM 839 CD1 LEU A 54 -14.995 -12.243 5.314 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.756 -10.190 6.026 1.00 0.00 C ATOM 0 H LEU A 54 -13.563 -12.648 8.939 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.282 -9.848 8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.762 -12.314 7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.054 -10.658 7.340 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.473 -12.154 6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.291 -12.361 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.340 -13.224 5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.847 -11.651 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.069 -10.336 5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.578 -9.547 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.226 -9.721 6.855 1.00 0.00 H new ATOM 852 N LYS A 55 -15.555 -11.676 11.052 1.00 0.00 N ATOM 853 CA LYS A 55 -16.498 -11.742 12.163 1.00 0.00 C ATOM 854 C LYS A 55 -17.935 -11.793 11.655 1.00 0.00 C ATOM 855 O LYS A 55 -18.802 -11.067 12.144 1.00 0.00 O ATOM 856 CB LYS A 55 -16.314 -10.535 13.087 1.00 0.00 C ATOM 857 CG LYS A 55 -14.927 -10.442 13.698 1.00 0.00 C ATOM 858 CD LYS A 55 -14.670 -9.068 14.292 1.00 0.00 C ATOM 859 CE LYS A 55 -13.182 -8.770 14.385 1.00 0.00 C ATOM 860 NZ LYS A 55 -12.663 -8.143 13.137 1.00 0.00 N ATOM 0 H LYS A 55 -14.775 -12.329 11.122 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.298 -12.655 12.724 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.516 -9.623 12.524 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.052 -10.585 13.888 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.818 -11.201 14.473 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.178 -10.656 12.936 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.156 -8.309 13.679 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.116 -9.010 15.285 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.997 -8.106 15.229 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.638 -9.694 14.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.694 -7.802 13.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.660 -8.846 12.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.272 -7.343 12.871 1.00 0.00 H new ATOM 874 N ILE A 56 -18.180 -12.654 10.674 1.00 0.00 N ATOM 875 CA ILE A 56 -19.513 -12.800 10.102 1.00 0.00 C ATOM 876 C ILE A 56 -20.442 -13.542 11.057 1.00 0.00 C ATOM 877 O ILE A 56 -21.546 -13.082 11.349 1.00 0.00 O ATOM 878 CB ILE A 56 -19.470 -13.552 8.758 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.578 -12.808 7.762 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.875 -13.717 8.199 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.170 -13.649 6.573 1.00 0.00 C ATOM 0 H ILE A 56 -17.474 -13.261 10.258 1.00 0.00 H new ATOM 0 HA ILE A 56 -19.896 -11.794 9.934 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.048 -14.543 8.925 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -19.104 -11.922 7.407 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.682 -12.462 8.277 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.828 -14.250 7.249 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.483 -14.284 8.904 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.322 -12.735 8.042 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.539 -13.058 5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.616 -14.522 6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -19.060 -13.974 6.034 1.00 0.00 H new ATOM 893 N PHE A 57 -19.987 -14.692 11.543 1.00 0.00 N ATOM 894 CA PHE A 57 -20.777 -15.499 12.466 1.00 0.00 C ATOM 895 C PHE A 57 -20.661 -14.964 13.890 1.00 0.00 C ATOM 896 O PHE A 57 -21.347 -15.433 14.799 1.00 0.00 O ATOM 897 CB PHE A 57 -20.322 -16.959 12.419 1.00 0.00 C ATOM 898 CG PHE A 57 -20.071 -17.464 11.027 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.090 -17.483 10.088 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.816 -17.921 10.657 1.00 0.00 C ATOM 901 CE1 PHE A 57 -20.863 -17.947 8.806 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.583 -18.385 9.376 1.00 0.00 C ATOM 903 CZ PHE A 57 -19.608 -18.400 8.450 1.00 0.00 C ATOM 0 H PHE A 57 -19.075 -15.086 11.313 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.821 -15.442 12.158 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.410 -17.066 13.006 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -21.080 -17.583 12.892 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.074 -17.131 10.361 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -18.011 -17.915 11.377 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -21.666 -17.955 8.084 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.600 -18.736 9.099 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.428 -18.765 7.450 1.00 0.00 H new ATOM 913 N HIS A 58 -19.787 -13.980 14.078 1.00 0.00 N ATOM 914 CA HIS A 58 -19.581 -13.380 15.391 1.00 0.00 C ATOM 915 C HIS A 58 -20.890 -12.829 15.949 1.00 0.00 C ATOM 916 O HIS A 58 -21.139 -12.893 17.153 1.00 0.00 O ATOM 917 CB HIS A 58 -18.539 -12.264 15.308 1.00 0.00 C ATOM 918 CG HIS A 58 -17.967 -11.879 16.637 1.00 0.00 C ATOM 919 ND1 HIS A 58 -16.738 -12.316 17.083 1.00 0.00 N ATOM 920 CD2 HIS A 58 -18.463 -11.090 17.619 1.00 0.00 C ATOM 921 CE1 HIS A 58 -16.502 -11.815 18.282 1.00 0.00 C ATOM 922 NE2 HIS A 58 -17.534 -11.066 18.630 1.00 0.00 N ATOM 0 H HIS A 58 -19.210 -13.581 13.337 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.218 -14.157 16.064 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.729 -12.582 14.652 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.994 -11.386 14.850 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -19.412 -10.575 17.609 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -15.617 -11.988 18.877 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -17.625 -10.553 19.507 1.00 0.00 H new ATOM 930 N ASP A 59 -21.723 -12.290 15.066 1.00 0.00 N ATOM 931 CA ASP A 59 -23.007 -11.728 15.470 1.00 0.00 C ATOM 932 C ASP A 59 -24.082 -12.809 15.515 1.00 0.00 C ATOM 933 O ASP A 59 -25.260 -12.519 15.731 1.00 0.00 O ATOM 934 CB ASP A 59 -23.425 -10.614 14.509 1.00 0.00 C ATOM 935 CG ASP A 59 -22.236 -9.899 13.898 1.00 0.00 C ATOM 936 OD1 ASP A 59 -21.636 -9.049 14.590 1.00 0.00 O ATOM 937 OD2 ASP A 59 -21.905 -10.189 12.730 1.00 0.00 O ATOM 0 H ASP A 59 -21.532 -12.230 14.066 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.895 -11.310 16.471 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -24.039 -11.036 13.714 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.045 -9.892 15.042 1.00 0.00 H new ATOM 942 N HIS A 60 -23.670 -14.056 15.310 1.00 0.00 N ATOM 943 CA HIS A 60 -24.599 -15.180 15.327 1.00 0.00 C ATOM 944 C HIS A 60 -25.960 -14.769 14.773 1.00 0.00 C ATOM 945 O HIS A 60 -26.998 -15.061 15.369 1.00 0.00 O ATOM 946 CB HIS A 60 -24.756 -15.718 16.749 1.00 0.00 C ATOM 947 CG HIS A 60 -24.990 -14.649 17.772 1.00 0.00 C ATOM 948 ND1 HIS A 60 -26.072 -13.871 18.007 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -24.042 -14.276 18.701 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -25.762 -13.051 19.064 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -24.532 -13.315 19.465 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.700 -14.313 15.130 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.190 -15.966 14.692 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.589 -16.421 16.773 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -23.860 -16.277 17.018 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -23.054 -14.702 18.790 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.418 -12.310 19.497 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -24.043 -12.856 20.233 1.00 0.00 H new ATOM 959 N HIS A 61 -25.948 -14.089 13.631 1.00 0.00 N ATOM 960 CA HIS A 61 -27.182 -13.638 12.997 1.00 0.00 C ATOM 961 C HIS A 61 -27.229 -14.067 11.534 1.00 0.00 C ATOM 962 O HIS A 61 -28.199 -13.792 10.827 1.00 0.00 O ATOM 963 CB HIS A 61 -27.306 -12.118 13.099 1.00 0.00 C ATOM 964 CG HIS A 61 -28.328 -11.666 14.097 1.00 0.00 C ATOM 965 ND1 HIS A 61 -29.587 -11.230 13.740 1.00 0.00 N ATOM 966 CD2 HIS A 61 -28.273 -11.585 15.447 1.00 0.00 C ATOM 967 CE1 HIS A 61 -30.260 -10.899 14.827 1.00 0.00 C ATOM 968 NE2 HIS A 61 -29.486 -11.106 15.876 1.00 0.00 N ATOM 0 H HIS A 61 -25.098 -13.838 13.126 1.00 0.00 H new ATOM 0 HA HIS A 61 -28.020 -14.099 13.520 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.336 -11.700 13.369 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.564 -11.716 12.119 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -27.431 -11.848 16.071 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -31.272 -10.523 14.853 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -29.747 -10.937 16.848 1.00 0.00 H new ATOM 976 N VAL A 62 -26.175 -14.741 11.085 1.00 0.00 N ATOM 977 CA VAL A 62 -26.097 -15.208 9.706 1.00 0.00 C ATOM 978 C VAL A 62 -25.573 -16.638 9.639 1.00 0.00 C ATOM 979 O VAL A 62 -24.556 -16.969 10.250 1.00 0.00 O ATOM 980 CB VAL A 62 -25.187 -14.300 8.857 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.776 -14.278 9.423 1.00 0.00 C ATOM 982 CG2 VAL A 62 -25.182 -14.759 7.407 1.00 0.00 C ATOM 0 H VAL A 62 -25.363 -14.976 11.656 1.00 0.00 H new ATOM 0 HA VAL A 62 -27.109 -15.175 9.303 1.00 0.00 H new ATOM 0 HB VAL A 62 -25.582 -13.285 8.892 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -23.148 -13.631 8.810 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.800 -13.898 10.444 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.367 -15.288 9.421 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -24.534 -14.107 6.821 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.813 -15.783 7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -26.196 -14.717 7.008 1.00 0.00 H new ATOM 992 N THR A 63 -26.275 -17.485 8.893 1.00 0.00 N ATOM 993 CA THR A 63 -25.882 -18.881 8.746 1.00 0.00 C ATOM 994 C THR A 63 -25.019 -19.082 7.506 1.00 0.00 C ATOM 995 O THR A 63 -25.025 -18.256 6.593 1.00 0.00 O ATOM 996 CB THR A 63 -27.112 -19.804 8.657 1.00 0.00 C ATOM 997 OG1 THR A 63 -26.693 -21.166 8.515 1.00 0.00 O ATOM 998 CG2 THR A 63 -27.996 -19.416 7.481 1.00 0.00 C ATOM 0 H THR A 63 -27.119 -17.228 8.381 1.00 0.00 H new ATOM 0 HA THR A 63 -25.304 -19.142 9.633 1.00 0.00 H new ATOM 0 HB THR A 63 -27.688 -19.695 9.576 1.00 0.00 H new ATOM 0 HG1 THR A 63 -27.481 -21.747 8.461 1.00 0.00 H new ATOM 0 HG21 THR A 63 -28.858 -20.082 7.439 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.337 -18.388 7.606 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.427 -19.500 6.555 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.278 -20.185 7.478 1.00 0.00 N ATOM 1007 CA VAL A 64 -23.410 -20.495 6.348 1.00 0.00 C ATOM 1008 C VAL A 64 -24.196 -20.518 5.042 1.00 0.00 C ATOM 1009 O VAL A 64 -23.660 -20.209 3.979 1.00 0.00 O ATOM 1010 CB VAL A 64 -22.708 -21.853 6.536 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -23.705 -22.994 6.397 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -21.568 -22.005 5.540 1.00 0.00 C ATOM 0 H VAL A 64 -24.261 -20.879 8.225 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.657 -19.708 6.302 1.00 0.00 H new ATOM 0 HB VAL A 64 -22.289 -21.890 7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -23.191 -23.945 6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.483 -22.891 7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -24.156 -22.964 5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -21.083 -22.970 5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -21.961 -21.947 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -20.842 -21.207 5.694 1.00 0.00 H new ATOM 1022 N GLU A 65 -25.471 -20.887 5.131 1.00 0.00 N ATOM 1023 CA GLU A 65 -26.330 -20.950 3.955 1.00 0.00 C ATOM 1024 C GLU A 65 -26.564 -19.558 3.376 1.00 0.00 C ATOM 1025 O GLU A 65 -26.620 -19.383 2.159 1.00 0.00 O ATOM 1026 CB GLU A 65 -27.670 -21.598 4.310 1.00 0.00 C ATOM 1027 CG GLU A 65 -27.808 -23.026 3.808 1.00 0.00 C ATOM 1028 CD GLU A 65 -27.631 -24.051 4.911 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -28.133 -23.812 6.029 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -26.990 -25.092 4.657 1.00 0.00 O ATOM 0 H GLU A 65 -25.930 -21.146 6.004 1.00 0.00 H new ATOM 0 HA GLU A 65 -25.828 -21.558 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -27.793 -21.589 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.477 -20.996 3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -28.790 -23.154 3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -27.069 -23.206 3.028 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.700 -18.572 4.257 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.928 -17.196 3.833 1.00 0.00 C ATOM 1039 C GLN A 66 -25.707 -16.639 3.108 1.00 0.00 C ATOM 1040 O GLN A 66 -25.835 -15.857 2.165 1.00 0.00 O ATOM 1041 CB GLN A 66 -27.264 -16.317 5.040 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.734 -16.351 5.426 1.00 0.00 C ATOM 1043 CD GLN A 66 -29.506 -15.161 4.890 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -30.478 -15.319 4.151 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -29.075 -13.961 5.260 1.00 0.00 N ATOM 0 H GLN A 66 -26.656 -18.701 5.268 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.771 -17.191 3.142 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.666 -16.640 5.892 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.978 -15.288 4.821 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -29.183 -17.270 5.050 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -28.820 -16.376 6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -28.265 -13.877 5.874 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -29.554 -13.123 4.930 1.00 0.00 H new ATOM 1054 N LEU A 67 -24.524 -17.046 3.555 1.00 0.00 N ATOM 1055 CA LEU A 67 -23.279 -16.588 2.949 1.00 0.00 C ATOM 1056 C LEU A 67 -23.166 -17.070 1.506 1.00 0.00 C ATOM 1057 O LEU A 67 -22.836 -16.297 0.607 1.00 0.00 O ATOM 1058 CB LEU A 67 -22.081 -17.085 3.760 1.00 0.00 C ATOM 1059 CG LEU A 67 -22.030 -16.641 5.222 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -20.660 -16.924 5.818 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -22.371 -15.163 5.343 1.00 0.00 C ATOM 0 H LEU A 67 -24.401 -17.692 4.335 1.00 0.00 H new ATOM 0 HA LEU A 67 -23.283 -15.498 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.075 -18.175 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.169 -16.749 3.267 1.00 0.00 H new ATOM 0 HG LEU A 67 -22.772 -17.211 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -20.642 -16.601 6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.454 -17.993 5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -19.900 -16.381 5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.330 -14.865 6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.653 -14.576 4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -23.375 -14.988 4.955 1.00 0.00 H new ATOM 1073 N MET A 68 -23.444 -18.352 1.292 1.00 0.00 N ATOM 1074 CA MET A 68 -23.377 -18.936 -0.042 1.00 0.00 C ATOM 1075 C MET A 68 -24.511 -18.416 -0.921 1.00 0.00 C ATOM 1076 O MET A 68 -24.341 -18.231 -2.126 1.00 0.00 O ATOM 1077 CB MET A 68 -23.439 -20.462 0.042 1.00 0.00 C ATOM 1078 CG MET A 68 -24.634 -20.979 0.825 1.00 0.00 C ATOM 1079 SD MET A 68 -24.840 -22.765 0.680 1.00 0.00 S ATOM 1080 CE MET A 68 -24.003 -23.324 2.161 1.00 0.00 C ATOM 0 H MET A 68 -23.718 -19.006 2.025 1.00 0.00 H new ATOM 0 HA MET A 68 -22.429 -18.643 -0.492 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.471 -20.872 -0.967 1.00 0.00 H new ATOM 0 HB3 MET A 68 -22.524 -20.830 0.506 1.00 0.00 H new ATOM 0 HG2 MET A 68 -24.517 -20.715 1.876 1.00 0.00 H new ATOM 0 HG3 MET A 68 -25.538 -20.483 0.471 1.00 0.00 H new ATOM 0 HE1 MET A 68 -23.762 -24.383 2.065 1.00 0.00 H new ATOM 0 HE2 MET A 68 -23.084 -22.753 2.297 1.00 0.00 H new ATOM 0 HE3 MET A 68 -24.653 -23.177 3.024 1.00 0.00 H new ATOM 1254 N ASP A 81 -16.369 -26.493 0.877 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.209 -25.615 0.979 1.00 0.00 C ATOM 1256 C ASP A 81 -15.516 -24.240 0.395 1.00 0.00 C ATOM 1257 O ASP A 81 -15.801 -24.109 -0.796 1.00 0.00 O ATOM 1258 CB ASP A 81 -14.010 -26.234 0.258 1.00 0.00 C ATOM 1259 CG ASP A 81 -13.471 -27.456 0.974 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -14.176 -27.985 1.859 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -12.345 -27.886 0.649 1.00 0.00 O ATOM 0 HA ASP A 81 -14.966 -25.495 2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -14.302 -26.510 -0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.219 -25.490 0.170 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.456 -23.217 1.241 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.728 -21.851 0.810 1.00 0.00 C ATOM 1268 C LEU A 82 -14.969 -20.846 1.671 1.00 0.00 C ATOM 1269 O LEU A 82 -14.924 -20.973 2.894 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.229 -21.564 0.875 1.00 0.00 C ATOM 1271 CG LEU A 82 -17.823 -21.408 2.275 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -19.228 -20.832 2.199 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -17.831 -22.745 3.003 1.00 0.00 C ATOM 0 H LEU A 82 -15.221 -23.308 2.229 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.389 -21.748 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.429 -20.651 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.755 -22.372 0.367 1.00 0.00 H new ATOM 0 HG LEU A 82 -17.199 -20.714 2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -19.634 -20.729 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -19.195 -19.854 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -19.864 -21.500 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -18.257 -22.615 3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -18.431 -23.461 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.810 -23.117 3.091 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.376 -19.848 1.024 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.620 -18.822 1.732 1.00 0.00 C ATOM 1287 C GLU A 83 -14.140 -17.429 1.388 1.00 0.00 C ATOM 1288 O GLU A 83 -14.633 -17.193 0.285 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.133 -18.922 1.386 1.00 0.00 C ATOM 1290 CG GLU A 83 -11.858 -18.982 -0.108 1.00 0.00 C ATOM 1291 CD GLU A 83 -12.097 -17.654 -0.799 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -11.928 -16.604 -0.143 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -12.453 -17.664 -1.996 1.00 0.00 O ATOM 0 H GLU A 83 -14.404 -19.728 0.011 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.749 -18.986 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.612 -18.063 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.717 -19.812 1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.826 -19.292 -0.271 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.494 -19.742 -0.561 1.00 0.00 H new ATOM 1300 N PHE A 84 -14.028 -16.510 2.342 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.488 -15.141 2.142 1.00 0.00 C ATOM 1302 C PHE A 84 -13.403 -14.140 2.530 1.00 0.00 C ATOM 1303 O PHE A 84 -12.812 -14.237 3.605 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.754 -14.881 2.962 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.873 -15.835 2.655 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -16.880 -17.112 3.192 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -17.918 -15.454 1.828 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -17.908 -17.992 2.912 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -18.949 -16.330 1.545 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.944 -17.600 2.086 1.00 0.00 C ATOM 0 H PHE A 84 -13.623 -16.689 3.261 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.715 -15.012 1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.511 -14.948 4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -16.095 -13.862 2.777 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -16.072 -17.424 3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -17.927 -14.462 1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -17.902 -18.984 3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -19.759 -16.021 0.901 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.748 -18.286 1.864 1.00 0.00 H new ATOM 1320 N GLU A 85 -13.148 -13.181 1.646 1.00 0.00 N ATOM 1321 CA GLU A 85 -12.134 -12.163 1.896 1.00 0.00 C ATOM 1322 C GLU A 85 -12.763 -10.775 1.976 1.00 0.00 C ATOM 1323 O GLU A 85 -12.178 -9.848 2.536 1.00 0.00 O ATOM 1324 CB GLU A 85 -11.071 -12.191 0.796 1.00 0.00 C ATOM 1325 CG GLU A 85 -11.646 -12.336 -0.603 1.00 0.00 C ATOM 1326 CD GLU A 85 -11.025 -11.368 -1.592 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -9.866 -10.958 -1.374 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -11.700 -11.021 -2.584 1.00 0.00 O ATOM 0 H GLU A 85 -13.629 -13.087 0.751 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.662 -12.384 2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.485 -11.273 0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.386 -13.017 0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.490 -13.357 -0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.723 -12.173 -0.568 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.958 -10.641 1.411 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.668 -9.367 1.417 1.00 0.00 C ATOM 1337 C ASP A 86 -16.175 -9.585 1.505 1.00 0.00 C ATOM 1338 O ASP A 86 -16.811 -9.992 0.532 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.329 -8.563 0.161 1.00 0.00 C ATOM 1340 CG ASP A 86 -14.651 -9.318 -1.114 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -13.936 -10.295 -1.421 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -15.617 -8.932 -1.805 1.00 0.00 O ATOM 0 H ASP A 86 -14.455 -11.399 0.943 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.348 -8.806 2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.883 -7.624 0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.269 -8.308 0.171 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.740 -9.313 2.677 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.172 -9.480 2.891 1.00 0.00 C ATOM 1349 C ILE A 87 -18.973 -8.496 2.045 1.00 0.00 C ATOM 1350 O ILE A 87 -18.492 -7.425 1.673 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.545 -9.289 4.373 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -17.950 -7.984 4.907 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -18.065 -10.473 5.197 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -16.739 -8.189 5.789 1.00 0.00 C ATOM 0 H ILE A 87 -16.228 -8.976 3.492 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.420 -10.498 2.591 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.630 -9.232 4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.673 -7.349 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.714 -7.450 5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.336 -10.323 6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.532 -11.386 4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -16.982 -10.560 5.112 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -16.370 -7.222 6.131 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -17.015 -8.798 6.650 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -15.958 -8.695 5.222 1.00 0.00 H new ATOM 1366 N PRO A 88 -20.224 -8.865 1.735 1.00 0.00 N ATOM 1367 CA PRO A 88 -21.120 -8.027 0.931 1.00 0.00 C ATOM 1368 C PRO A 88 -21.569 -6.776 1.678 1.00 0.00 C ATOM 1369 O PRO A 88 -21.048 -6.460 2.748 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.314 -8.945 0.659 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.307 -9.920 1.785 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.862 -10.127 2.145 1.00 0.00 C ATOM 0 HA PRO A 88 -20.633 -7.659 0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -23.247 -8.382 0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -22.215 -9.450 -0.302 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.870 -9.537 2.636 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.774 -10.860 1.490 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.736 -10.313 3.212 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.436 -10.982 1.620 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.538 -6.068 1.108 1.00 0.00 N ATOM 1381 CA ASP A 89 -23.058 -4.851 1.721 1.00 0.00 C ATOM 1382 C ASP A 89 -24.446 -5.090 2.309 1.00 0.00 C ATOM 1383 O ASP A 89 -24.873 -4.384 3.223 1.00 0.00 O ATOM 1384 CB ASP A 89 -23.113 -3.720 0.694 1.00 0.00 C ATOM 1385 CG ASP A 89 -23.855 -2.503 1.211 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -23.219 -1.659 1.875 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -25.072 -2.396 0.952 1.00 0.00 O ATOM 0 H ASP A 89 -22.979 -6.316 0.222 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.385 -4.564 2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -22.098 -3.433 0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -23.599 -4.080 -0.213 1.00 0.00 H new ATOM 1392 N SER A 90 -25.144 -6.087 1.777 1.00 0.00 N ATOM 1393 CA SER A 90 -26.486 -6.415 2.245 1.00 0.00 C ATOM 1394 C SER A 90 -26.435 -7.076 3.620 1.00 0.00 C ATOM 1395 O SER A 90 -27.359 -6.937 4.423 1.00 0.00 O ATOM 1396 CB SER A 90 -27.185 -7.341 1.248 1.00 0.00 C ATOM 1397 OG SER A 90 -28.277 -8.011 1.853 1.00 0.00 O ATOM 0 H SER A 90 -24.803 -6.682 1.022 1.00 0.00 H new ATOM 0 HA SER A 90 -27.052 -5.487 2.327 1.00 0.00 H new ATOM 0 HB2 SER A 90 -27.537 -6.762 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 90 -26.473 -8.072 0.865 1.00 0.00 H new ATOM 0 HG SER A 90 -28.708 -8.595 1.195 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.350 -7.794 3.884 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.177 -8.477 5.161 1.00 0.00 C ATOM 1405 C LEU A 91 -24.835 -7.484 6.268 1.00 0.00 C ATOM 1406 O LEU A 91 -25.534 -7.398 7.278 1.00 0.00 O ATOM 1407 CB LEU A 91 -24.077 -9.534 5.052 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.426 -10.785 4.246 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -23.255 -11.755 4.231 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.669 -11.456 4.812 1.00 0.00 C ATOM 0 H LEU A 91 -24.576 -7.919 3.231 1.00 0.00 H new ATOM 0 HA LEU A 91 -26.118 -8.965 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -23.199 -9.070 4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -23.796 -9.842 6.059 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.636 -10.484 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.522 -12.639 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -22.389 -11.273 3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -23.013 -12.049 5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.902 -12.345 4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.488 -11.742 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.509 -10.762 4.769 1.00 0.00 H new