USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 HIS :FLIP no HD1:sc= -2.25 F(o=-3.6,f=-2.3) USER MOD Set 1.2: A 61 HIS :FLIP no HD1:sc= -0.0149 F(o=-3.6,f=-2.3) USER MOD Set 2.1: A 34 LYS NZ :NH3+ -173:sc= 0 (180deg=0) USER MOD Set 2.2: A 53 HIS : no HD1:sc= -0.25 K(o=-0.25,f=-1) USER MOD Set 3.1: A 16 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 19 CYS SG : rot -106:sc= -0.687 USER MOD Set 3.3: A 21 THR OG1 : rot 50:sc= -0.187 USER MOD Set 3.4: A 23 SER OG : rot -130:sc= 0 USER MOD Set 3.5: A 41 CYS SG : rot 180:sc= -0.0259 USER MOD Set 3.6: A 43 HIS : no HD1:sc= -2.05 K(o=-5.9,f=-7) USER MOD Set 3.7: A 44 CYS SG : rot -170:sc= -2.98! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 165:sc= -3.74 (180deg=-4.5!) USER MOD Single : A 11 MET CE :methyl -174:sc= 0 (180deg=-0.0712) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A 17 LYS NZ :NH3+ 155:sc= -0.154 (180deg=-0.686) USER MOD Single : A 18 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0327) USER MOD Single : A 20 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.26) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0348 USER MOD Single : A 25 HIS : no HE2:sc= -1.35 X(o=-1.3,f=-1.7) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.704 USER MOD Single : A 27 MET CE :methyl -147:sc= -2.78 (180deg=-5.39!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.83 X(o=-1.8,f=-2.2!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -160:sc= -1.78 USER MOD Single : A 40 SER OG : rot 180:sc= -0.629 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -4.61! C(o=-4.6!,f=-5.5!) USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= -0.0488 (180deg=-0.375) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 66 GLN : amide:sc= -0.0889 X(o=-0.089,f=0) USER MOD Single : A 68 MET CE :methyl 179:sc= 0 (180deg=-0.0032) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N LYS A 9 -3.529 -20.132 -2.859 1.00 0.00 N ATOM 118 CA LYS A 9 -4.206 -21.022 -1.924 1.00 0.00 C ATOM 119 C LYS A 9 -3.205 -21.921 -1.206 1.00 0.00 C ATOM 120 O LYS A 9 -2.133 -22.218 -1.734 1.00 0.00 O ATOM 121 CB LYS A 9 -5.240 -21.879 -2.659 1.00 0.00 C ATOM 122 CG LYS A 9 -4.626 -22.873 -3.629 1.00 0.00 C ATOM 123 CD LYS A 9 -5.688 -23.738 -4.288 1.00 0.00 C ATOM 124 CE LYS A 9 -6.503 -22.945 -5.299 1.00 0.00 C ATOM 125 NZ LYS A 9 -7.753 -23.657 -5.683 1.00 0.00 N ATOM 0 HA LYS A 9 -4.714 -20.407 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.838 -22.421 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.920 -21.225 -3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.066 -22.337 -4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.915 -23.508 -3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.213 -24.584 -4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.351 -24.147 -3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.754 -21.971 -4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.900 -22.763 -6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.280 -23.085 -6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.513 -24.576 -6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.340 -23.808 -4.838 1.00 0.00 H new ATOM 139 N MET A 10 -3.561 -22.352 0.000 1.00 0.00 N ATOM 140 CA MET A 10 -2.694 -23.219 0.789 1.00 0.00 C ATOM 141 C MET A 10 -3.479 -24.392 1.367 1.00 0.00 C ATOM 142 O MET A 10 -4.676 -24.282 1.627 1.00 0.00 O ATOM 143 CB MET A 10 -2.034 -22.426 1.918 1.00 0.00 C ATOM 144 CG MET A 10 -2.980 -21.462 2.617 1.00 0.00 C ATOM 145 SD MET A 10 -2.541 -21.188 4.344 1.00 0.00 S ATOM 146 CE MET A 10 -3.717 -22.260 5.167 1.00 0.00 C ATOM 0 H MET A 10 -4.444 -22.115 0.452 1.00 0.00 H new ATOM 0 HA MET A 10 -1.919 -23.612 0.131 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.630 -23.123 2.653 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.191 -21.866 1.513 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.976 -20.508 2.089 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.996 -21.852 2.562 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.410 -22.410 6.202 1.00 0.00 H new ATOM 0 HE2 MET A 10 -4.705 -21.801 5.145 1.00 0.00 H new ATOM 0 HE3 MET A 10 -3.752 -23.222 4.656 1.00 0.00 H new ATOM 156 N MET A 11 -2.796 -25.515 1.565 1.00 0.00 N ATOM 157 CA MET A 11 -3.430 -26.708 2.114 1.00 0.00 C ATOM 158 C MET A 11 -3.063 -26.892 3.583 1.00 0.00 C ATOM 159 O MET A 11 -1.889 -26.842 3.950 1.00 0.00 O ATOM 160 CB MET A 11 -3.016 -27.945 1.314 1.00 0.00 C ATOM 161 CG MET A 11 -4.111 -28.995 1.208 1.00 0.00 C ATOM 162 SD MET A 11 -3.483 -30.603 0.689 1.00 0.00 S ATOM 163 CE MET A 11 -2.895 -30.221 -0.959 1.00 0.00 C ATOM 0 H MET A 11 -1.804 -25.624 1.354 1.00 0.00 H new ATOM 0 HA MET A 11 -4.510 -26.581 2.041 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.721 -27.637 0.311 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.139 -28.393 1.781 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.606 -29.097 2.174 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.865 -28.657 0.497 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.574 -31.138 -1.453 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.698 -29.761 -1.534 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.054 -29.531 -0.894 1.00 0.00 H new ATOM 173 N ILE A 12 -4.074 -27.106 4.418 1.00 0.00 N ATOM 174 CA ILE A 12 -3.857 -27.298 5.846 1.00 0.00 C ATOM 175 C ILE A 12 -4.830 -28.324 6.417 1.00 0.00 C ATOM 176 O ILE A 12 -6.046 -28.175 6.298 1.00 0.00 O ATOM 177 CB ILE A 12 -4.008 -25.976 6.622 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.304 -25.268 6.219 1.00 0.00 C ATOM 179 CG2 ILE A 12 -2.807 -25.076 6.374 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.089 -24.729 7.394 1.00 0.00 C ATOM 0 H ILE A 12 -5.051 -27.151 4.130 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.837 -27.664 5.963 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.055 -26.200 7.688 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.065 -24.446 5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.931 -25.965 5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.929 -24.146 6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.900 -25.581 6.706 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.731 -24.856 5.309 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.994 -24.241 7.033 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.359 -25.550 8.058 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.480 -24.008 7.938 1.00 0.00 H new ATOM 192 N ALA A 13 -4.287 -29.364 7.040 1.00 0.00 N ATOM 193 CA ALA A 13 -5.107 -30.413 7.634 1.00 0.00 C ATOM 194 C ALA A 13 -5.418 -30.106 9.095 1.00 0.00 C ATOM 195 O ALA A 13 -4.516 -29.846 9.891 1.00 0.00 O ATOM 196 CB ALA A 13 -4.410 -31.760 7.512 1.00 0.00 C ATOM 0 H ALA A 13 -3.282 -29.503 7.147 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.051 -30.454 7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.033 -32.534 7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.245 -31.990 6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.451 -31.722 8.029 1.00 0.00 H new ATOM 202 N PHE A 14 -6.701 -30.137 9.441 1.00 0.00 N ATOM 203 CA PHE A 14 -7.131 -29.860 10.806 1.00 0.00 C ATOM 204 C PHE A 14 -7.712 -31.111 11.458 1.00 0.00 C ATOM 205 O PHE A 14 -8.470 -31.856 10.834 1.00 0.00 O ATOM 206 CB PHE A 14 -8.170 -28.736 10.818 1.00 0.00 C ATOM 207 CG PHE A 14 -9.585 -29.229 10.918 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.290 -29.584 9.779 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.211 -29.335 12.150 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.593 -30.039 9.867 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.513 -29.789 12.244 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.205 -30.140 11.101 1.00 0.00 C ATOM 0 H PHE A 14 -7.461 -30.351 8.795 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.258 -29.545 11.378 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.965 -28.072 11.657 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.063 -28.144 9.909 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.816 -29.504 8.812 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.675 -29.060 13.047 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.131 -30.315 8.972 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.989 -29.869 13.210 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.223 -30.493 11.172 1.00 0.00 H new ATOM 222 N THR A 15 -7.351 -31.338 12.717 1.00 0.00 N ATOM 223 CA THR A 15 -7.834 -32.499 13.454 1.00 0.00 C ATOM 224 C THR A 15 -9.233 -32.256 14.008 1.00 0.00 C ATOM 225 O THR A 15 -9.412 -31.485 14.952 1.00 0.00 O ATOM 226 CB THR A 15 -6.889 -32.860 14.615 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.531 -32.849 14.163 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.229 -34.229 15.184 1.00 0.00 C ATOM 0 H THR A 15 -6.725 -30.732 13.248 1.00 0.00 H new ATOM 0 HA THR A 15 -7.865 -33.330 12.749 1.00 0.00 H new ATOM 0 HB THR A 15 -7.015 -32.116 15.402 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.936 -33.078 14.908 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.548 -34.462 16.003 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.254 -34.225 15.555 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.129 -34.983 14.403 1.00 0.00 H new ATOM 236 N CYS A 16 -10.222 -32.917 13.417 1.00 0.00 N ATOM 237 CA CYS A 16 -11.606 -32.772 13.853 1.00 0.00 C ATOM 238 C CYS A 16 -11.818 -33.422 15.216 1.00 0.00 C ATOM 239 O CYS A 16 -11.821 -34.647 15.338 1.00 0.00 O ATOM 240 CB CYS A 16 -12.554 -33.393 12.825 1.00 0.00 C ATOM 241 SG CYS A 16 -14.175 -32.598 12.741 1.00 0.00 S ATOM 0 H CYS A 16 -10.091 -33.558 12.635 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.824 -31.708 13.941 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.087 -33.346 11.841 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.691 -34.448 13.063 1.00 0.00 H new ATOM 0 HG CYS A 16 -14.904 -33.192 11.843 1.00 0.00 H new ATOM 246 N LYS A 17 -11.994 -32.593 16.240 1.00 0.00 N ATOM 247 CA LYS A 17 -12.207 -33.086 17.595 1.00 0.00 C ATOM 248 C LYS A 17 -13.594 -33.704 17.739 1.00 0.00 C ATOM 249 O LYS A 17 -13.896 -34.352 18.741 1.00 0.00 O ATOM 250 CB LYS A 17 -12.036 -31.949 18.606 1.00 0.00 C ATOM 251 CG LYS A 17 -12.998 -30.793 18.389 1.00 0.00 C ATOM 252 CD LYS A 17 -14.196 -30.882 19.319 1.00 0.00 C ATOM 253 CE LYS A 17 -13.894 -30.264 20.676 1.00 0.00 C ATOM 254 NZ LYS A 17 -13.595 -28.809 20.569 1.00 0.00 N ATOM 0 H LYS A 17 -11.993 -31.576 16.157 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.463 -33.857 17.795 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.177 -32.344 19.612 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.014 -31.575 18.551 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.478 -29.850 18.554 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.339 -30.792 17.354 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.047 -30.373 18.867 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.481 -31.926 19.449 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.746 -30.412 21.340 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.045 -30.777 21.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.809 -28.343 21.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.589 -28.677 20.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.178 -28.389 19.817 1.00 0.00 H new ATOM 268 N LYS A 18 -14.435 -33.500 16.730 1.00 0.00 N ATOM 269 CA LYS A 18 -15.789 -34.039 16.742 1.00 0.00 C ATOM 270 C LYS A 18 -15.778 -35.545 16.504 1.00 0.00 C ATOM 271 O LYS A 18 -16.370 -36.309 17.267 1.00 0.00 O ATOM 272 CB LYS A 18 -16.644 -33.350 15.675 1.00 0.00 C ATOM 273 CG LYS A 18 -18.103 -33.197 16.070 1.00 0.00 C ATOM 274 CD LYS A 18 -18.648 -31.836 15.673 1.00 0.00 C ATOM 275 CE LYS A 18 -19.424 -31.905 14.367 1.00 0.00 C ATOM 276 NZ LYS A 18 -20.755 -32.548 14.546 1.00 0.00 N ATOM 0 H LYS A 18 -14.202 -32.965 15.894 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.220 -33.847 17.725 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.227 -32.364 15.468 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.585 -33.922 14.749 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.694 -33.980 15.594 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.205 -33.331 17.147 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.297 -31.458 16.463 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.825 -31.129 15.571 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -19.557 -30.899 13.970 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.847 -32.464 13.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.036 -33.016 13.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.700 -33.253 15.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -21.460 -31.824 14.794 1.00 0.00 H new ATOM 290 N CYS A 19 -15.100 -35.967 15.442 1.00 0.00 N ATOM 291 CA CYS A 19 -15.010 -37.383 15.104 1.00 0.00 C ATOM 292 C CYS A 19 -13.567 -37.869 15.178 1.00 0.00 C ATOM 293 O CYS A 19 -13.233 -38.934 14.660 1.00 0.00 O ATOM 294 CB CYS A 19 -15.574 -37.631 13.704 1.00 0.00 C ATOM 295 SG CYS A 19 -14.958 -36.485 12.447 1.00 0.00 S ATOM 0 H CYS A 19 -14.604 -35.348 14.800 1.00 0.00 H new ATOM 0 HA CYS A 19 -15.600 -37.943 15.830 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.332 -38.650 13.402 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.661 -37.560 13.744 1.00 0.00 H new ATOM 0 HG CYS A 19 -15.890 -35.630 12.145 1.00 0.00 H new ATOM 300 N ASN A 20 -12.714 -37.081 15.824 1.00 0.00 N ATOM 301 CA ASN A 20 -11.305 -37.430 15.964 1.00 0.00 C ATOM 302 C ASN A 20 -10.698 -37.793 14.612 1.00 0.00 C ATOM 303 O ASN A 20 -9.754 -38.580 14.533 1.00 0.00 O ATOM 304 CB ASN A 20 -11.143 -38.598 16.939 1.00 0.00 C ATOM 305 CG ASN A 20 -9.717 -38.742 17.436 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.227 -37.908 18.198 1.00 0.00 O ATOM 307 ND2 ASN A 20 -9.045 -39.803 17.006 1.00 0.00 N ATOM 0 H ASN A 20 -12.974 -36.196 16.259 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.778 -36.561 16.357 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.809 -38.453 17.790 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.449 -39.522 16.449 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.082 -39.953 17.307 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.492 -40.468 16.375 1.00 0.00 H new ATOM 314 N THR A 21 -11.245 -37.212 13.549 1.00 0.00 N ATOM 315 CA THR A 21 -10.759 -37.474 12.200 1.00 0.00 C ATOM 316 C THR A 21 -10.032 -36.260 11.633 1.00 0.00 C ATOM 317 O THR A 21 -10.485 -35.126 11.785 1.00 0.00 O ATOM 318 CB THR A 21 -11.911 -37.857 11.252 1.00 0.00 C ATOM 319 OG1 THR A 21 -12.672 -38.931 11.815 1.00 0.00 O ATOM 320 CG2 THR A 21 -11.375 -38.269 9.889 1.00 0.00 C ATOM 0 H THR A 21 -12.025 -36.557 13.596 1.00 0.00 H new ATOM 0 HA THR A 21 -10.064 -38.311 12.271 1.00 0.00 H new ATOM 0 HB THR A 21 -12.553 -36.985 11.125 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.910 -38.713 12.740 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.206 -38.535 9.236 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.820 -37.440 9.450 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.714 -39.128 10.003 1.00 0.00 H new ATOM 328 N ARG A 22 -8.901 -36.506 10.979 1.00 0.00 N ATOM 329 CA ARG A 22 -8.111 -35.432 10.389 1.00 0.00 C ATOM 330 C ARG A 22 -8.248 -35.428 8.869 1.00 0.00 C ATOM 331 O ARG A 22 -8.070 -36.456 8.217 1.00 0.00 O ATOM 332 CB ARG A 22 -6.639 -35.580 10.779 1.00 0.00 C ATOM 333 CG ARG A 22 -5.883 -34.262 10.816 1.00 0.00 C ATOM 334 CD ARG A 22 -4.523 -34.418 11.478 1.00 0.00 C ATOM 335 NE ARG A 22 -3.428 -34.243 10.528 1.00 0.00 N ATOM 336 CZ ARG A 22 -2.975 -35.213 9.742 1.00 0.00 C ATOM 337 NH1 ARG A 22 -3.520 -36.421 9.792 1.00 0.00 N ATOM 338 NH2 ARG A 22 -1.975 -34.976 8.903 1.00 0.00 N ATOM 0 H ARG A 22 -8.512 -37.439 10.845 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.488 -34.484 10.773 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.577 -36.052 11.760 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.150 -36.250 10.072 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.754 -33.887 9.801 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.470 -33.520 11.358 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.425 -33.688 12.282 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.453 -35.406 11.934 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.987 -33.326 10.465 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.289 -36.607 10.435 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.170 -37.164 9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.553 -34.048 8.861 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.628 -35.722 8.300 1.00 0.00 H new ATOM 352 N SER A 23 -8.565 -34.263 8.312 1.00 0.00 N ATOM 353 CA SER A 23 -8.731 -34.126 6.870 1.00 0.00 C ATOM 354 C SER A 23 -8.041 -32.863 6.362 1.00 0.00 C ATOM 355 O SER A 23 -7.883 -31.890 7.099 1.00 0.00 O ATOM 356 CB SER A 23 -10.216 -34.090 6.507 1.00 0.00 C ATOM 357 OG SER A 23 -10.942 -35.068 7.231 1.00 0.00 O ATOM 0 H SER A 23 -8.712 -33.401 8.837 1.00 0.00 H new ATOM 0 HA SER A 23 -8.269 -34.990 6.392 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.621 -33.101 6.719 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.336 -34.261 5.437 1.00 0.00 H new ATOM 0 HG SER A 23 -11.496 -35.588 6.613 1.00 0.00 H new ATOM 363 N SER A 24 -7.632 -32.888 5.098 1.00 0.00 N ATOM 364 CA SER A 24 -6.955 -31.748 4.491 1.00 0.00 C ATOM 365 C SER A 24 -7.926 -30.923 3.652 1.00 0.00 C ATOM 366 O SER A 24 -8.823 -31.467 3.006 1.00 0.00 O ATOM 367 CB SER A 24 -5.789 -32.223 3.622 1.00 0.00 C ATOM 368 OG SER A 24 -5.914 -33.600 3.310 1.00 0.00 O ATOM 0 H SER A 24 -7.758 -33.685 4.474 1.00 0.00 H new ATOM 0 HA SER A 24 -6.568 -31.118 5.292 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.756 -31.640 2.702 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.848 -32.049 4.144 1.00 0.00 H new ATOM 0 HG SER A 24 -5.158 -33.879 2.753 1.00 0.00 H new ATOM 374 N HIS A 25 -7.741 -29.607 3.666 1.00 0.00 N ATOM 375 CA HIS A 25 -8.600 -28.706 2.907 1.00 0.00 C ATOM 376 C HIS A 25 -7.801 -27.527 2.358 1.00 0.00 C ATOM 377 O HIS A 25 -7.081 -26.853 3.096 1.00 0.00 O ATOM 378 CB HIS A 25 -9.744 -28.197 3.784 1.00 0.00 C ATOM 379 CG HIS A 25 -10.291 -29.234 4.716 1.00 0.00 C ATOM 380 ND1 HIS A 25 -11.413 -29.983 4.432 1.00 0.00 N ATOM 381 CD2 HIS A 25 -9.863 -29.646 5.932 1.00 0.00 C ATOM 382 CE1 HIS A 25 -11.652 -30.810 5.434 1.00 0.00 C ATOM 383 NE2 HIS A 25 -10.725 -30.626 6.357 1.00 0.00 N ATOM 0 H HIS A 25 -7.004 -29.141 4.195 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.016 -29.263 2.068 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.393 -27.345 4.367 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.548 -27.835 3.144 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -11.971 -29.910 3.581 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.003 -29.273 6.468 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.467 -31.517 5.489 1.00 0.00 H new ATOM 391 N THR A 26 -7.931 -27.284 1.058 1.00 0.00 N ATOM 392 CA THR A 26 -7.220 -26.189 0.410 1.00 0.00 C ATOM 393 C THR A 26 -8.092 -24.942 0.323 1.00 0.00 C ATOM 394 O THR A 26 -9.170 -24.967 -0.271 1.00 0.00 O ATOM 395 CB THR A 26 -6.759 -26.579 -1.007 1.00 0.00 C ATOM 396 OG1 THR A 26 -6.409 -27.966 -1.044 1.00 0.00 O ATOM 397 CG2 THR A 26 -5.567 -25.738 -1.439 1.00 0.00 C ATOM 0 H THR A 26 -8.523 -27.831 0.433 1.00 0.00 H new ATOM 0 HA THR A 26 -6.344 -25.975 1.023 1.00 0.00 H new ATOM 0 HB THR A 26 -7.583 -26.394 -1.697 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.119 -28.206 -1.949 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.259 -26.031 -2.443 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.846 -24.684 -1.438 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.741 -25.895 -0.746 1.00 0.00 H new ATOM 405 N MET A 27 -7.620 -23.852 0.920 1.00 0.00 N ATOM 406 CA MET A 27 -8.358 -22.594 0.907 1.00 0.00 C ATOM 407 C MET A 27 -7.436 -21.427 0.568 1.00 0.00 C ATOM 408 O MET A 27 -6.228 -21.492 0.793 1.00 0.00 O ATOM 409 CB MET A 27 -9.024 -22.356 2.264 1.00 0.00 C ATOM 410 CG MET A 27 -8.035 -22.111 3.392 1.00 0.00 C ATOM 411 SD MET A 27 -7.428 -23.641 4.128 1.00 0.00 S ATOM 412 CE MET A 27 -8.912 -24.244 4.928 1.00 0.00 C ATOM 0 H MET A 27 -6.731 -23.815 1.418 1.00 0.00 H new ATOM 0 HA MET A 27 -9.128 -22.660 0.139 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.693 -21.499 2.186 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.640 -23.220 2.513 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.191 -21.536 3.011 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.512 -21.506 4.163 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.643 -24.777 5.840 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.559 -23.403 5.177 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.439 -24.920 4.255 1.00 0.00 H new ATOM 422 N SER A 28 -8.015 -20.360 0.026 1.00 0.00 N ATOM 423 CA SER A 28 -7.244 -19.180 -0.348 1.00 0.00 C ATOM 424 C SER A 28 -6.480 -18.627 0.851 1.00 0.00 C ATOM 425 O SER A 28 -7.067 -18.324 1.890 1.00 0.00 O ATOM 426 CB SER A 28 -8.167 -18.102 -0.920 1.00 0.00 C ATOM 427 OG SER A 28 -8.532 -18.400 -2.256 1.00 0.00 O ATOM 0 H SER A 28 -9.015 -20.289 -0.164 1.00 0.00 H new ATOM 0 HA SER A 28 -6.524 -19.474 -1.111 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.063 -18.022 -0.304 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.667 -17.134 -0.883 1.00 0.00 H new ATOM 0 HG SER A 28 -9.123 -17.697 -2.598 1.00 0.00 H new ATOM 433 N LYS A 29 -5.167 -18.499 0.700 1.00 0.00 N ATOM 434 CA LYS A 29 -4.320 -17.982 1.769 1.00 0.00 C ATOM 435 C LYS A 29 -4.752 -16.577 2.174 1.00 0.00 C ATOM 436 O LYS A 29 -4.638 -16.194 3.338 1.00 0.00 O ATOM 437 CB LYS A 29 -2.855 -17.969 1.325 1.00 0.00 C ATOM 438 CG LYS A 29 -1.873 -18.182 2.464 1.00 0.00 C ATOM 439 CD LYS A 29 -1.222 -16.878 2.891 1.00 0.00 C ATOM 440 CE LYS A 29 -0.218 -16.391 1.857 1.00 0.00 C ATOM 441 NZ LYS A 29 0.427 -15.114 2.268 1.00 0.00 N ATOM 0 H LYS A 29 -4.665 -18.746 -0.153 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.426 -18.638 2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.704 -18.746 0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.638 -17.016 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.391 -18.626 3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.104 -18.889 2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.990 -16.119 3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.721 -17.017 3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.547 -17.153 1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.721 -16.252 0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.104 -14.816 1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.300 -14.380 2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.929 -15.253 3.168 1.00 0.00 H new ATOM 455 N GLN A 30 -5.250 -15.813 1.206 1.00 0.00 N ATOM 456 CA GLN A 30 -5.700 -14.451 1.463 1.00 0.00 C ATOM 457 C GLN A 30 -6.970 -14.447 2.308 1.00 0.00 C ATOM 458 O GLN A 30 -7.105 -13.654 3.239 1.00 0.00 O ATOM 459 CB GLN A 30 -5.948 -13.715 0.145 1.00 0.00 C ATOM 460 CG GLN A 30 -6.568 -12.339 0.324 1.00 0.00 C ATOM 461 CD GLN A 30 -5.918 -11.547 1.442 1.00 0.00 C ATOM 462 OE1 GLN A 30 -4.721 -11.679 1.697 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.707 -10.718 2.115 1.00 0.00 N ATOM 0 H GLN A 30 -5.352 -16.115 0.237 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.915 -13.935 2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.002 -13.612 -0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.602 -14.320 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.482 -11.782 -0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.632 -12.449 0.533 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.694 -10.641 1.869 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.326 -10.158 2.878 1.00 0.00 H new ATOM 472 N ALA A 31 -7.898 -15.339 1.977 1.00 0.00 N ATOM 473 CA ALA A 31 -9.156 -15.440 2.706 1.00 0.00 C ATOM 474 C ALA A 31 -8.942 -16.050 4.087 1.00 0.00 C ATOM 475 O ALA A 31 -9.673 -15.747 5.030 1.00 0.00 O ATOM 476 CB ALA A 31 -10.161 -16.261 1.913 1.00 0.00 C ATOM 0 H ALA A 31 -7.802 -16.002 1.208 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.552 -14.433 2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.096 -16.328 2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.345 -15.781 0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.764 -17.263 1.749 1.00 0.00 H new ATOM 482 N TYR A 32 -7.938 -16.912 4.199 1.00 0.00 N ATOM 483 CA TYR A 32 -7.630 -17.568 5.464 1.00 0.00 C ATOM 484 C TYR A 32 -6.851 -16.635 6.386 1.00 0.00 C ATOM 485 O TYR A 32 -7.189 -16.480 7.559 1.00 0.00 O ATOM 486 CB TYR A 32 -6.828 -18.847 5.218 1.00 0.00 C ATOM 487 CG TYR A 32 -6.349 -19.514 6.488 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.142 -19.152 7.073 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.102 -20.507 7.101 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.699 -19.759 8.232 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.668 -21.119 8.261 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.466 -20.742 8.823 1.00 0.00 C ATOM 493 OH TYR A 32 -5.029 -21.350 9.977 1.00 0.00 O ATOM 0 H TYR A 32 -7.323 -17.173 3.428 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.572 -17.826 5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.444 -19.550 4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.966 -18.611 4.594 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.539 -18.382 6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.043 -20.806 6.663 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.758 -19.466 8.673 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.267 -21.889 8.725 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.686 -22.018 10.264 1.00 0.00 H new ATOM 503 N GLU A 33 -5.807 -16.014 5.845 1.00 0.00 N ATOM 504 CA GLU A 33 -4.980 -15.096 6.619 1.00 0.00 C ATOM 505 C GLU A 33 -5.758 -13.835 6.980 1.00 0.00 C ATOM 506 O GLU A 33 -5.622 -13.301 8.081 1.00 0.00 O ATOM 507 CB GLU A 33 -3.720 -14.724 5.833 1.00 0.00 C ATOM 508 CG GLU A 33 -2.644 -15.796 5.865 1.00 0.00 C ATOM 509 CD GLU A 33 -1.246 -15.217 5.963 1.00 0.00 C ATOM 510 OE1 GLU A 33 -1.082 -14.012 5.679 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.317 -15.969 6.324 1.00 0.00 O ATOM 0 H GLU A 33 -5.514 -16.130 4.875 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.689 -15.599 7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.994 -14.527 4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.310 -13.798 6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.820 -16.457 6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.718 -16.407 4.965 1.00 0.00 H new ATOM 518 N LYS A 34 -6.575 -13.362 6.044 1.00 0.00 N ATOM 519 CA LYS A 34 -7.377 -12.164 6.262 1.00 0.00 C ATOM 520 C LYS A 34 -8.791 -12.350 5.721 1.00 0.00 C ATOM 521 O LYS A 34 -9.142 -11.808 4.674 1.00 0.00 O ATOM 522 CB LYS A 34 -6.718 -10.956 5.592 1.00 0.00 C ATOM 523 CG LYS A 34 -5.280 -10.731 6.024 1.00 0.00 C ATOM 524 CD LYS A 34 -5.202 -10.172 7.435 1.00 0.00 C ATOM 525 CE LYS A 34 -3.944 -10.639 8.151 1.00 0.00 C ATOM 526 NZ LYS A 34 -3.924 -10.207 9.576 1.00 0.00 N ATOM 0 H LYS A 34 -6.699 -13.791 5.127 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.438 -11.988 7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.747 -11.090 4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.301 -10.063 5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.733 -11.672 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.795 -10.043 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.217 -9.083 7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.080 -10.484 8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.879 -11.726 8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.067 -10.243 7.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.002 -10.440 9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.079 -9.180 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.677 -10.699 10.098 1.00 0.00 H new ATOM 540 N GLY A 35 -9.600 -13.120 6.443 1.00 0.00 N ATOM 541 CA GLY A 35 -10.967 -13.362 6.020 1.00 0.00 C ATOM 542 C GLY A 35 -11.579 -14.570 6.701 1.00 0.00 C ATOM 543 O GLY A 35 -10.982 -15.150 7.609 1.00 0.00 O ATOM 0 H GLY A 35 -9.333 -13.580 7.313 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.572 -12.482 6.236 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.990 -13.507 4.940 1.00 0.00 H new ATOM 547 N THR A 36 -12.776 -14.950 6.265 1.00 0.00 N ATOM 548 CA THR A 36 -13.472 -16.094 6.841 1.00 0.00 C ATOM 549 C THR A 36 -13.350 -17.320 5.943 1.00 0.00 C ATOM 550 O THR A 36 -13.671 -17.267 4.756 1.00 0.00 O ATOM 551 CB THR A 36 -14.963 -15.787 7.071 1.00 0.00 C ATOM 552 OG1 THR A 36 -15.118 -14.454 7.572 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.575 -16.776 8.051 1.00 0.00 C ATOM 0 H THR A 36 -13.284 -14.482 5.514 1.00 0.00 H new ATOM 0 HA THR A 36 -12.999 -16.301 7.801 1.00 0.00 H new ATOM 0 HB THR A 36 -15.481 -15.878 6.116 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.991 -14.368 8.008 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.629 -16.539 8.197 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.483 -17.787 7.653 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.053 -16.713 9.006 1.00 0.00 H new ATOM 561 N VAL A 37 -12.884 -18.424 6.518 1.00 0.00 N ATOM 562 CA VAL A 37 -12.721 -19.665 5.770 1.00 0.00 C ATOM 563 C VAL A 37 -13.489 -20.807 6.427 1.00 0.00 C ATOM 564 O VAL A 37 -13.425 -20.995 7.643 1.00 0.00 O ATOM 565 CB VAL A 37 -11.237 -20.060 5.653 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.532 -19.188 4.625 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.552 -19.961 7.008 1.00 0.00 C ATOM 0 H VAL A 37 -12.613 -18.484 7.499 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.121 -19.488 4.772 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.179 -21.095 5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.485 -19.482 4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.009 -19.314 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.597 -18.143 4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.504 -20.244 6.907 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.618 -18.937 7.375 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.042 -20.632 7.714 1.00 0.00 H new ATOM 577 N LEU A 38 -14.214 -21.569 5.615 1.00 0.00 N ATOM 578 CA LEU A 38 -14.995 -22.694 6.116 1.00 0.00 C ATOM 579 C LEU A 38 -14.583 -23.992 5.429 1.00 0.00 C ATOM 580 O LEU A 38 -14.429 -24.037 4.208 1.00 0.00 O ATOM 581 CB LEU A 38 -16.488 -22.441 5.900 1.00 0.00 C ATOM 582 CG LEU A 38 -17.196 -21.631 6.987 1.00 0.00 C ATOM 583 CD1 LEU A 38 -18.632 -21.337 6.583 1.00 0.00 C ATOM 584 CD2 LEU A 38 -17.155 -22.372 8.316 1.00 0.00 C ATOM 0 H LEU A 38 -14.277 -21.428 4.607 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.800 -22.792 7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.614 -21.924 4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -16.990 -23.404 5.808 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.672 -20.683 7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -19.120 -20.760 7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -18.639 -20.765 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.168 -22.275 6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.663 -21.781 9.078 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.654 -23.335 8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.118 -22.531 8.612 1.00 0.00 H new ATOM 596 N ILE A 39 -14.408 -25.045 6.220 1.00 0.00 N ATOM 597 CA ILE A 39 -14.017 -26.344 5.687 1.00 0.00 C ATOM 598 C ILE A 39 -14.971 -27.439 6.153 1.00 0.00 C ATOM 599 O ILE A 39 -15.326 -27.508 7.330 1.00 0.00 O ATOM 600 CB ILE A 39 -12.583 -26.716 6.106 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.352 -26.370 7.579 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.571 -26.000 5.224 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.081 -26.962 8.147 1.00 0.00 C ATOM 0 H ILE A 39 -14.531 -25.024 7.232 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.060 -26.265 4.601 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.451 -27.791 5.979 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.319 -25.286 7.688 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.201 -26.723 8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.562 -26.273 5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.724 -26.291 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.701 -24.922 5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.983 -26.676 9.194 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.120 -28.049 8.070 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.224 -26.589 7.587 1.00 0.00 H new ATOM 615 N SER A 40 -15.382 -28.294 5.222 1.00 0.00 N ATOM 616 CA SER A 40 -16.296 -29.385 5.536 1.00 0.00 C ATOM 617 C SER A 40 -15.535 -30.693 5.733 1.00 0.00 C ATOM 618 O SER A 40 -14.637 -31.024 4.957 1.00 0.00 O ATOM 619 CB SER A 40 -17.332 -29.548 4.422 1.00 0.00 C ATOM 620 OG SER A 40 -18.400 -30.382 4.836 1.00 0.00 O ATOM 0 H SER A 40 -15.096 -28.252 4.244 1.00 0.00 H new ATOM 0 HA SER A 40 -16.808 -29.139 6.466 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.720 -28.570 4.136 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.856 -29.973 3.538 1.00 0.00 H new ATOM 0 HG SER A 40 -19.049 -30.469 4.107 1.00 0.00 H new ATOM 626 N CYS A 41 -15.899 -31.431 6.775 1.00 0.00 N ATOM 627 CA CYS A 41 -15.251 -32.703 7.075 1.00 0.00 C ATOM 628 C CYS A 41 -15.977 -33.858 6.393 1.00 0.00 C ATOM 629 O CYS A 41 -17.168 -34.087 6.606 1.00 0.00 O ATOM 630 CB CYS A 41 -15.208 -32.933 8.586 1.00 0.00 C ATOM 631 SG CYS A 41 -14.186 -34.337 9.091 1.00 0.00 S ATOM 0 H CYS A 41 -16.639 -31.171 7.427 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.231 -32.662 6.692 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.832 -32.031 9.069 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.224 -33.088 8.948 1.00 0.00 H new ATOM 0 HG CYS A 41 -14.211 -34.449 10.386 1.00 0.00 H new ATOM 636 N PRO A 42 -15.245 -34.603 5.552 1.00 0.00 N ATOM 637 CA PRO A 42 -15.799 -35.747 4.821 1.00 0.00 C ATOM 638 C PRO A 42 -16.119 -36.921 5.738 1.00 0.00 C ATOM 639 O PRO A 42 -16.639 -37.946 5.293 1.00 0.00 O ATOM 640 CB PRO A 42 -14.679 -36.120 3.845 1.00 0.00 C ATOM 641 CG PRO A 42 -13.432 -35.628 4.494 1.00 0.00 C ATOM 642 CD PRO A 42 -13.820 -34.388 5.251 1.00 0.00 C ATOM 0 HA PRO A 42 -16.743 -35.501 4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.641 -37.197 3.679 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.830 -35.653 2.872 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.018 -36.381 5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.666 -35.408 3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.230 -34.272 6.160 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.667 -33.489 4.654 1.00 0.00 H new ATOM 650 N HIS A 43 -15.807 -36.767 7.021 1.00 0.00 N ATOM 651 CA HIS A 43 -16.063 -37.816 8.002 1.00 0.00 C ATOM 652 C HIS A 43 -17.427 -37.624 8.658 1.00 0.00 C ATOM 653 O HIS A 43 -18.359 -38.390 8.410 1.00 0.00 O ATOM 654 CB HIS A 43 -14.967 -37.825 9.068 1.00 0.00 C ATOM 655 CG HIS A 43 -14.956 -39.067 9.905 1.00 0.00 C ATOM 656 ND1 HIS A 43 -14.072 -40.105 9.700 1.00 0.00 N ATOM 657 CD2 HIS A 43 -15.727 -39.434 10.955 1.00 0.00 C ATOM 658 CE1 HIS A 43 -14.301 -41.057 10.587 1.00 0.00 C ATOM 659 NE2 HIS A 43 -15.300 -40.674 11.361 1.00 0.00 N ATOM 0 H HIS A 43 -15.377 -35.926 7.406 1.00 0.00 H new ATOM 0 HA HIS A 43 -16.061 -38.774 7.483 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -13.998 -37.716 8.582 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -15.097 -36.960 9.718 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -16.529 -38.858 11.392 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -13.763 -41.990 10.666 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -15.691 -41.212 12.135 1.00 0.00 H new ATOM 667 N CYS A 44 -17.536 -36.599 9.496 1.00 0.00 N ATOM 668 CA CYS A 44 -18.785 -36.308 10.190 1.00 0.00 C ATOM 669 C CYS A 44 -19.746 -35.547 9.283 1.00 0.00 C ATOM 670 O CYS A 44 -20.939 -35.444 9.570 1.00 0.00 O ATOM 671 CB CYS A 44 -18.512 -35.498 11.458 1.00 0.00 C ATOM 672 SG CYS A 44 -17.600 -33.963 11.171 1.00 0.00 S ATOM 0 H CYS A 44 -16.774 -35.956 9.711 1.00 0.00 H new ATOM 0 HA CYS A 44 -19.248 -37.256 10.466 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.462 -35.260 11.936 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -17.950 -36.117 12.158 1.00 0.00 H new ATOM 0 HG CYS A 44 -17.235 -33.455 12.311 1.00 0.00 H new ATOM 677 N LYS A 45 -19.219 -35.013 8.186 1.00 0.00 N ATOM 678 CA LYS A 45 -20.028 -34.260 7.235 1.00 0.00 C ATOM 679 C LYS A 45 -20.568 -32.984 7.872 1.00 0.00 C ATOM 680 O LYS A 45 -21.716 -32.936 8.315 1.00 0.00 O ATOM 681 CB LYS A 45 -21.188 -35.120 6.728 1.00 0.00 C ATOM 682 CG LYS A 45 -21.771 -34.640 5.411 1.00 0.00 C ATOM 683 CD LYS A 45 -20.906 -35.057 4.233 1.00 0.00 C ATOM 684 CE LYS A 45 -21.156 -36.506 3.844 1.00 0.00 C ATOM 685 NZ LYS A 45 -22.257 -36.632 2.849 1.00 0.00 N ATOM 0 H LYS A 45 -18.234 -35.088 7.934 1.00 0.00 H new ATOM 0 HA LYS A 45 -19.393 -33.985 6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -20.843 -36.147 6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -21.976 -35.133 7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.775 -35.045 5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.865 -33.554 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -21.113 -34.409 3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -19.854 -34.923 4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -20.243 -36.934 3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.404 -37.083 4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.396 -37.635 2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.135 -36.247 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -22.010 -36.102 1.989 1.00 0.00 H new ATOM 699 N VAL A 46 -19.734 -31.949 7.913 1.00 0.00 N ATOM 700 CA VAL A 46 -20.129 -30.671 8.493 1.00 0.00 C ATOM 701 C VAL A 46 -19.029 -29.629 8.325 1.00 0.00 C ATOM 702 O VAL A 46 -17.843 -29.958 8.324 1.00 0.00 O ATOM 703 CB VAL A 46 -20.463 -30.813 9.989 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.195 -31.020 10.803 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.230 -29.595 10.482 1.00 0.00 C ATOM 0 H VAL A 46 -18.781 -31.971 7.551 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.021 -30.343 7.959 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.097 -31.690 10.120 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.452 -31.118 11.858 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.690 -31.926 10.467 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.533 -30.165 10.669 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.458 -29.713 11.541 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.624 -28.701 10.338 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.159 -29.498 9.920 1.00 0.00 H new ATOM 715 N ARG A 47 -19.431 -28.370 8.185 1.00 0.00 N ATOM 716 CA ARG A 47 -18.480 -27.278 8.016 1.00 0.00 C ATOM 717 C ARG A 47 -18.140 -26.641 9.360 1.00 0.00 C ATOM 718 O ARG A 47 -18.988 -26.549 10.248 1.00 0.00 O ATOM 719 CB ARG A 47 -19.047 -26.221 7.068 1.00 0.00 C ATOM 720 CG ARG A 47 -18.880 -26.569 5.597 1.00 0.00 C ATOM 721 CD ARG A 47 -20.012 -27.455 5.103 1.00 0.00 C ATOM 722 NE ARG A 47 -20.583 -26.966 3.851 1.00 0.00 N ATOM 723 CZ ARG A 47 -21.392 -27.687 3.081 1.00 0.00 C ATOM 724 NH1 ARG A 47 -21.723 -28.921 3.434 1.00 0.00 N ATOM 725 NH2 ARG A 47 -21.871 -27.172 1.956 1.00 0.00 N ATOM 0 H ARG A 47 -20.409 -28.081 8.185 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.567 -27.689 7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -20.107 -26.084 7.282 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.556 -25.268 7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.849 -25.653 5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -17.927 -27.077 5.448 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.642 -28.470 4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.792 -27.504 5.863 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.348 -26.020 3.551 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -21.357 -29.320 4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -22.344 -29.472 2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.619 -26.223 1.682 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -22.492 -27.726 1.365 1.00 0.00 H new ATOM 739 N HIS A 48 -16.892 -26.204 9.503 1.00 0.00 N ATOM 740 CA HIS A 48 -16.440 -25.575 10.739 1.00 0.00 C ATOM 741 C HIS A 48 -15.587 -24.345 10.442 1.00 0.00 C ATOM 742 O HIS A 48 -14.918 -24.275 9.410 1.00 0.00 O ATOM 743 CB HIS A 48 -15.642 -26.572 11.581 1.00 0.00 C ATOM 744 CG HIS A 48 -15.604 -27.952 10.999 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.405 -28.980 11.449 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.857 -28.469 9.996 1.00 0.00 C ATOM 747 CE1 HIS A 48 -16.150 -30.072 10.749 1.00 0.00 C ATOM 748 NE2 HIS A 48 -15.215 -29.788 9.861 1.00 0.00 N ATOM 0 H HIS A 48 -16.177 -26.274 8.779 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.320 -25.259 11.300 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.622 -26.206 11.693 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.075 -26.620 12.580 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -17.087 -28.909 12.204 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.117 -27.943 9.411 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.625 -31.033 10.881 1.00 0.00 H new ATOM 756 N LEU A 49 -15.616 -23.378 11.352 1.00 0.00 N ATOM 757 CA LEU A 49 -14.846 -22.150 11.188 1.00 0.00 C ATOM 758 C LEU A 49 -13.409 -22.340 11.663 1.00 0.00 C ATOM 759 O LEU A 49 -13.168 -22.902 12.732 1.00 0.00 O ATOM 760 CB LEU A 49 -15.503 -21.005 11.961 1.00 0.00 C ATOM 761 CG LEU A 49 -15.102 -19.592 11.537 1.00 0.00 C ATOM 762 CD1 LEU A 49 -15.368 -19.383 10.054 1.00 0.00 C ATOM 763 CD2 LEU A 49 -15.847 -18.555 12.365 1.00 0.00 C ATOM 0 H LEU A 49 -16.164 -23.420 12.211 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.829 -21.901 10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.584 -21.099 11.861 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.269 -21.126 13.019 1.00 0.00 H new ATOM 0 HG LEU A 49 -14.033 -19.470 11.714 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.076 -18.372 9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.789 -20.103 9.476 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -16.430 -19.525 9.851 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.549 -17.555 12.049 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.920 -18.676 12.220 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -15.606 -18.690 13.419 1.00 0.00 H new ATOM 775 N ILE A 50 -12.459 -21.867 10.863 1.00 0.00 N ATOM 776 CA ILE A 50 -11.047 -21.983 11.204 1.00 0.00 C ATOM 777 C ILE A 50 -10.440 -20.616 11.503 1.00 0.00 C ATOM 778 O ILE A 50 -9.982 -20.359 12.616 1.00 0.00 O ATOM 779 CB ILE A 50 -10.246 -22.650 10.070 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.149 -22.905 8.861 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.622 -23.949 10.556 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.422 -23.509 7.680 1.00 0.00 C ATOM 0 H ILE A 50 -12.642 -21.400 9.975 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.988 -22.608 12.095 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.445 -21.977 9.766 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.960 -23.571 9.157 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.605 -21.964 8.554 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.059 -24.409 9.743 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.951 -23.741 11.390 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.408 -24.630 10.884 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.124 -23.662 6.860 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.629 -22.835 7.357 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.989 -24.466 7.970 1.00 0.00 H new ATOM 794 N ALA A 51 -10.442 -19.742 10.502 1.00 0.00 N ATOM 795 CA ALA A 51 -9.896 -18.399 10.659 1.00 0.00 C ATOM 796 C ALA A 51 -10.987 -17.343 10.525 1.00 0.00 C ATOM 797 O ALA A 51 -11.423 -17.025 9.418 1.00 0.00 O ATOM 798 CB ALA A 51 -8.794 -18.156 9.639 1.00 0.00 C ATOM 0 H ALA A 51 -10.816 -19.940 9.574 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.473 -18.320 11.661 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.395 -17.150 9.767 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.996 -18.884 9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.200 -18.260 8.633 1.00 0.00 H new ATOM 804 N ASP A 52 -11.425 -16.804 11.657 1.00 0.00 N ATOM 805 CA ASP A 52 -12.465 -15.783 11.666 1.00 0.00 C ATOM 806 C ASP A 52 -11.855 -14.385 11.643 1.00 0.00 C ATOM 807 O ASP A 52 -11.195 -13.968 12.595 1.00 0.00 O ATOM 808 CB ASP A 52 -13.357 -15.943 12.898 1.00 0.00 C ATOM 809 CG ASP A 52 -12.557 -16.145 14.170 1.00 0.00 C ATOM 810 OD1 ASP A 52 -12.029 -17.259 14.368 1.00 0.00 O ATOM 811 OD2 ASP A 52 -12.458 -15.189 14.966 1.00 0.00 O ATOM 0 H ASP A 52 -11.075 -17.058 12.581 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.071 -15.910 10.769 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -13.986 -15.059 13.005 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.023 -16.793 12.753 1.00 0.00 H new ATOM 816 N HIS A 53 -12.080 -13.664 10.548 1.00 0.00 N ATOM 817 CA HIS A 53 -11.552 -12.313 10.401 1.00 0.00 C ATOM 818 C HIS A 53 -12.674 -11.318 10.121 1.00 0.00 C ATOM 819 O HIS A 53 -12.619 -10.166 10.552 1.00 0.00 O ATOM 820 CB HIS A 53 -10.520 -12.266 9.274 1.00 0.00 C ATOM 821 CG HIS A 53 -9.105 -12.193 9.760 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.520 -11.025 10.200 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.158 -13.153 9.875 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.273 -11.269 10.563 1.00 0.00 C ATOM 825 NE2 HIS A 53 -7.029 -12.553 10.376 1.00 0.00 N ATOM 0 H HIS A 53 -12.624 -13.993 9.751 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.069 -12.035 11.338 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.636 -13.152 8.649 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.723 -11.402 8.642 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.269 -14.197 9.620 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.573 -10.542 10.947 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.145 -13.023 10.572 1.00 0.00 H new ATOM 833 N LEU A 54 -13.691 -11.771 9.396 1.00 0.00 N ATOM 834 CA LEU A 54 -14.827 -10.921 9.057 1.00 0.00 C ATOM 835 C LEU A 54 -15.942 -11.065 10.087 1.00 0.00 C ATOM 836 O LEU A 54 -16.993 -10.434 9.974 1.00 0.00 O ATOM 837 CB LEU A 54 -15.355 -11.272 7.665 1.00 0.00 C ATOM 838 CG LEU A 54 -14.313 -11.332 6.547 1.00 0.00 C ATOM 839 CD1 LEU A 54 -14.804 -12.210 5.406 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.989 -9.933 6.045 1.00 0.00 C ATOM 0 H LEU A 54 -13.752 -12.722 9.032 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.487 -9.885 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.854 -12.239 7.721 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.112 -10.538 7.390 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.401 -11.772 6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.050 -12.241 4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.984 -13.219 5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.730 -11.800 5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.246 -9.995 5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.895 -9.466 5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.593 -9.335 6.866 1.00 0.00 H new ATOM 852 N LYS A 55 -15.706 -11.900 11.094 1.00 0.00 N ATOM 853 CA LYS A 55 -16.688 -12.125 12.148 1.00 0.00 C ATOM 854 C LYS A 55 -18.105 -12.112 11.583 1.00 0.00 C ATOM 855 O LYS A 55 -18.954 -11.341 12.032 1.00 0.00 O ATOM 856 CB LYS A 55 -16.551 -11.059 13.237 1.00 0.00 C ATOM 857 CG LYS A 55 -16.538 -9.639 12.700 1.00 0.00 C ATOM 858 CD LYS A 55 -16.675 -8.618 13.818 1.00 0.00 C ATOM 859 CE LYS A 55 -15.440 -8.594 14.705 1.00 0.00 C ATOM 860 NZ LYS A 55 -14.218 -8.210 13.944 1.00 0.00 N ATOM 0 H LYS A 55 -14.843 -12.432 11.202 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.499 -13.106 12.583 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.375 -11.164 13.942 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.631 -11.236 13.794 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.609 -9.463 12.157 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.353 -9.511 11.987 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.837 -7.628 13.391 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -17.553 -8.852 14.421 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.594 -7.891 15.523 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.295 -9.577 15.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.470 -7.926 14.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.891 -9.021 13.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.439 -7.415 13.311 1.00 0.00 H new ATOM 874 N ILE A 56 -18.353 -12.970 10.600 1.00 0.00 N ATOM 875 CA ILE A 56 -19.668 -13.058 9.977 1.00 0.00 C ATOM 876 C ILE A 56 -20.656 -13.788 10.880 1.00 0.00 C ATOM 877 O ILE A 56 -21.767 -13.312 11.116 1.00 0.00 O ATOM 878 CB ILE A 56 -19.600 -13.781 8.619 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.603 -13.081 7.693 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.979 -13.833 7.978 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.223 -13.903 6.482 1.00 0.00 C ATOM 0 H ILE A 56 -17.661 -13.614 10.218 1.00 0.00 H new ATOM 0 HA ILE A 56 -20.011 -12.036 9.818 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.258 -14.803 8.784 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -19.031 -12.135 7.360 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.702 -12.842 8.257 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.915 -14.347 7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.665 -14.371 8.633 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.346 -12.819 7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.514 -13.344 5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.766 -14.838 6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -19.115 -14.120 5.895 1.00 0.00 H new ATOM 893 N PHE A 57 -20.244 -14.947 11.384 1.00 0.00 N ATOM 894 CA PHE A 57 -21.093 -15.743 12.263 1.00 0.00 C ATOM 895 C PHE A 57 -21.079 -15.187 13.683 1.00 0.00 C ATOM 896 O PHE A 57 -21.935 -15.523 14.503 1.00 0.00 O ATOM 897 CB PHE A 57 -20.630 -17.201 12.269 1.00 0.00 C ATOM 898 CG PHE A 57 -20.465 -17.784 10.895 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.567 -18.203 10.168 1.00 0.00 C ATOM 900 CD2 PHE A 57 -19.206 -17.912 10.329 1.00 0.00 C ATOM 901 CE1 PHE A 57 -21.417 -18.740 8.903 1.00 0.00 C ATOM 902 CE2 PHE A 57 -19.050 -18.448 9.065 1.00 0.00 C ATOM 903 CZ PHE A 57 -20.157 -18.862 8.351 1.00 0.00 C ATOM 0 H PHE A 57 -19.328 -15.356 11.199 1.00 0.00 H new ATOM 0 HA PHE A 57 -22.114 -15.694 11.884 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.681 -17.270 12.800 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -21.351 -17.800 12.825 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.555 -18.109 10.594 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -18.337 -17.589 10.883 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -22.284 -19.064 8.347 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -18.063 -18.543 8.636 1.00 0.00 H new ATOM 0 HZ PHE A 57 -20.038 -19.281 7.363 1.00 0.00 H new ATOM 913 N HIS A 58 -20.100 -14.334 13.969 1.00 0.00 N ATOM 914 CA HIS A 58 -19.973 -13.730 15.290 1.00 0.00 C ATOM 915 C HIS A 58 -21.209 -12.902 15.630 1.00 0.00 C ATOM 916 O HIS A 58 -21.459 -12.592 16.795 1.00 0.00 O ATOM 917 CB HIS A 58 -18.723 -12.852 15.355 1.00 0.00 C ATOM 918 CG HIS A 58 -18.127 -12.758 16.726 1.00 0.00 C ATOM 919 ND1 HIS A 58 -18.040 -11.576 17.430 1.00 0.00 N ATOM 920 CD2 HIS A 58 -17.589 -13.710 17.525 1.00 0.00 C ATOM 921 CE1 HIS A 58 -17.472 -11.803 18.601 1.00 0.00 C ATOM 922 NE2 HIS A 58 -17.189 -13.091 18.683 1.00 0.00 N ATOM 0 H HIS A 58 -19.383 -14.046 13.303 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.882 -14.533 16.022 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.975 -13.249 14.669 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.975 -11.850 15.008 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -17.493 -14.761 17.294 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -17.273 -11.062 19.361 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -16.745 -13.551 19.478 1.00 0.00 H new ATOM 930 N ASP A 59 -21.977 -12.547 14.607 1.00 0.00 N ATOM 931 CA ASP A 59 -23.187 -11.756 14.797 1.00 0.00 C ATOM 932 C ASP A 59 -24.373 -12.651 15.142 1.00 0.00 C ATOM 933 O ASP A 59 -25.510 -12.185 15.234 1.00 0.00 O ATOM 934 CB ASP A 59 -23.494 -10.944 13.538 1.00 0.00 C ATOM 935 CG ASP A 59 -22.464 -9.862 13.281 1.00 0.00 C ATOM 936 OD1 ASP A 59 -22.647 -8.736 13.789 1.00 0.00 O ATOM 937 OD2 ASP A 59 -21.475 -10.141 12.571 1.00 0.00 O ATOM 0 H ASP A 59 -21.783 -12.794 13.637 1.00 0.00 H new ATOM 0 HA ASP A 59 -23.017 -11.072 15.629 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -23.536 -11.613 12.679 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.479 -10.488 13.635 1.00 0.00 H new ATOM 942 N HIS A 60 -24.102 -13.938 15.331 1.00 0.00 N ATOM 943 CA HIS A 60 -25.147 -14.899 15.666 1.00 0.00 C ATOM 944 C HIS A 60 -26.475 -14.502 15.027 1.00 0.00 C ATOM 945 O HIS A 60 -27.521 -14.536 15.675 1.00 0.00 O ATOM 946 CB HIS A 60 -25.308 -15.002 17.183 1.00 0.00 C ATOM 947 CG HIS A 60 -26.047 -13.848 17.786 1.00 0.00 C ATOM 948 ND1 HIS A 60 -25.709 -12.543 17.902 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -27.293 -13.972 18.364 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -26.747 -11.908 18.539 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -27.690 -12.793 18.807 1.00 0.00 N flip ATOM 0 H HIS A 60 -23.167 -14.340 15.258 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.851 -15.872 15.273 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.835 -15.925 17.422 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -24.321 -15.070 17.641 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -27.856 -14.890 18.442 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.786 -10.856 18.781 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -28.575 -12.599 19.276 1.00 0.00 H new ATOM 959 N HIS A 61 -26.424 -14.125 13.754 1.00 0.00 N ATOM 960 CA HIS A 61 -27.623 -13.721 13.028 1.00 0.00 C ATOM 961 C HIS A 61 -27.492 -14.039 11.542 1.00 0.00 C ATOM 962 O HIS A 61 -28.223 -13.498 10.713 1.00 0.00 O ATOM 963 CB HIS A 61 -27.882 -12.226 13.220 1.00 0.00 C ATOM 964 CG HIS A 61 -28.770 -11.917 14.385 1.00 0.00 C ATOM 965 ND1 HIS A 61 -28.490 -11.789 15.703 1.00 0.00 N flip ATOM 966 CD2 HIS A 61 -30.127 -11.702 14.261 1.00 0.00 C flip ATOM 967 CE1 HIS A 61 -29.669 -11.501 16.345 1.00 0.00 C flip ATOM 968 NE2 HIS A 61 -30.642 -11.454 15.452 1.00 0.00 N flip ATOM 0 H HIS A 61 -25.566 -14.091 13.204 1.00 0.00 H new ATOM 0 HA HIS A 61 -28.466 -14.283 13.429 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.929 -11.715 13.355 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -28.334 -11.824 12.313 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -30.682 -11.732 13.335 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -29.783 -11.339 17.407 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -31.624 -11.259 15.649 1.00 0.00 H new ATOM 976 N VAL A 62 -26.553 -14.921 11.211 1.00 0.00 N ATOM 977 CA VAL A 62 -26.326 -15.312 9.825 1.00 0.00 C ATOM 978 C VAL A 62 -26.128 -16.818 9.704 1.00 0.00 C ATOM 979 O VAL A 62 -25.399 -17.426 10.489 1.00 0.00 O ATOM 980 CB VAL A 62 -25.098 -14.594 9.233 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.823 -15.073 9.911 1.00 0.00 C ATOM 982 CG2 VAL A 62 -25.027 -14.813 7.730 1.00 0.00 C ATOM 0 H VAL A 62 -25.938 -15.378 11.884 1.00 0.00 H new ATOM 0 HA VAL A 62 -27.214 -15.019 9.264 1.00 0.00 H new ATOM 0 HB VAL A 62 -25.199 -13.524 9.416 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.966 -14.556 9.481 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.877 -14.860 10.979 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.712 -16.147 9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -24.154 -14.299 7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.948 -15.880 7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.928 -14.417 7.262 1.00 0.00 H new ATOM 992 N THR A 63 -26.781 -17.418 8.714 1.00 0.00 N ATOM 993 CA THR A 63 -26.678 -18.855 8.490 1.00 0.00 C ATOM 994 C THR A 63 -25.738 -19.164 7.331 1.00 0.00 C ATOM 995 O THR A 63 -25.457 -18.301 6.498 1.00 0.00 O ATOM 996 CB THR A 63 -28.056 -19.479 8.199 1.00 0.00 C ATOM 997 OG1 THR A 63 -27.930 -20.897 8.051 1.00 0.00 O ATOM 998 CG2 THR A 63 -28.664 -18.884 6.937 1.00 0.00 C ATOM 0 H THR A 63 -27.387 -16.931 8.054 1.00 0.00 H new ATOM 0 HA THR A 63 -26.277 -19.290 9.406 1.00 0.00 H new ATOM 0 HB THR A 63 -28.715 -19.259 9.039 1.00 0.00 H new ATOM 0 HG1 THR A 63 -28.811 -21.286 7.868 1.00 0.00 H new ATOM 0 HG21 THR A 63 -29.637 -19.340 6.752 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.786 -17.808 7.064 1.00 0.00 H new ATOM 0 HG23 THR A 63 -28.006 -19.077 6.090 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.254 -20.401 7.281 1.00 0.00 N ATOM 1007 CA VAL A 64 -24.346 -20.825 6.222 1.00 0.00 C ATOM 1008 C VAL A 64 -24.958 -20.588 4.846 1.00 0.00 C ATOM 1009 O VAL A 64 -24.246 -20.339 3.874 1.00 0.00 O ATOM 1010 CB VAL A 64 -23.980 -22.315 6.359 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -25.188 -23.191 6.063 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -22.820 -22.665 5.440 1.00 0.00 C ATOM 0 H VAL A 64 -25.476 -21.127 7.962 1.00 0.00 H new ATOM 0 HA VAL A 64 -23.441 -20.226 6.322 1.00 0.00 H new ATOM 0 HB VAL A 64 -23.669 -22.502 7.387 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -24.910 -24.240 6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -25.988 -22.957 6.766 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.533 -23.004 5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -22.575 -23.721 5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -23.101 -22.463 4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -21.952 -22.062 5.704 1.00 0.00 H new ATOM 1022 N GLU A 65 -26.283 -20.668 4.772 1.00 0.00 N ATOM 1023 CA GLU A 65 -26.991 -20.462 3.514 1.00 0.00 C ATOM 1024 C GLU A 65 -26.774 -19.044 2.993 1.00 0.00 C ATOM 1025 O GLU A 65 -26.604 -18.833 1.792 1.00 0.00 O ATOM 1026 CB GLU A 65 -28.487 -20.727 3.695 1.00 0.00 C ATOM 1027 CG GLU A 65 -29.048 -21.747 2.719 1.00 0.00 C ATOM 1028 CD GLU A 65 -30.539 -21.582 2.495 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -31.034 -20.441 2.606 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -31.210 -22.596 2.209 1.00 0.00 O ATOM 0 H GLU A 65 -26.887 -20.874 5.568 1.00 0.00 H new ATOM 0 HA GLU A 65 -26.591 -21.165 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.665 -21.075 4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -29.030 -19.789 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -28.529 -21.655 1.765 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -28.850 -22.751 3.095 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.781 -18.078 3.905 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.587 -16.680 3.537 1.00 0.00 C ATOM 1039 C GLN A 66 -25.165 -16.441 3.041 1.00 0.00 C ATOM 1040 O GLN A 66 -24.937 -15.625 2.147 1.00 0.00 O ATOM 1041 CB GLN A 66 -26.882 -15.771 4.732 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.358 -15.452 4.903 1.00 0.00 C ATOM 1043 CD GLN A 66 -28.611 -14.422 5.986 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -29.182 -14.732 7.032 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.186 -13.188 5.741 1.00 0.00 N ATOM 0 H GLN A 66 -26.919 -18.237 4.903 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.279 -16.443 2.729 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.514 -16.248 5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.329 -14.839 4.615 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -28.758 -15.086 3.958 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -28.898 -16.368 5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -27.717 -12.975 4.860 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -28.328 -12.453 6.434 1.00 0.00 H new ATOM 1054 N LEU A 67 -24.211 -17.157 3.625 1.00 0.00 N ATOM 1055 CA LEU A 67 -22.810 -17.023 3.243 1.00 0.00 C ATOM 1056 C LEU A 67 -22.623 -17.299 1.754 1.00 0.00 C ATOM 1057 O LEU A 67 -21.942 -16.550 1.054 1.00 0.00 O ATOM 1058 CB LEU A 67 -21.942 -17.979 4.063 1.00 0.00 C ATOM 1059 CG LEU A 67 -21.426 -17.439 5.398 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -20.277 -16.468 5.172 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -22.551 -16.767 6.172 1.00 0.00 C ATOM 0 H LEU A 67 -24.382 -17.837 4.366 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.501 -15.998 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.518 -18.884 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.085 -18.271 3.456 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.056 -18.277 5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -19.923 -16.094 6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.463 -16.981 4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.621 -15.633 4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.166 -16.389 7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -22.952 -15.939 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -23.343 -17.491 6.365 1.00 0.00 H new ATOM 1073 N MET A 68 -23.234 -18.378 1.277 1.00 0.00 N ATOM 1074 CA MET A 68 -23.138 -18.751 -0.130 1.00 0.00 C ATOM 1075 C MET A 68 -23.972 -17.815 -0.999 1.00 0.00 C ATOM 1076 O MET A 68 -23.533 -17.386 -2.066 1.00 0.00 O ATOM 1077 CB MET A 68 -23.599 -20.197 -0.329 1.00 0.00 C ATOM 1078 CG MET A 68 -23.035 -21.161 0.702 1.00 0.00 C ATOM 1079 SD MET A 68 -22.996 -22.864 0.110 1.00 0.00 S ATOM 1080 CE MET A 68 -23.502 -23.746 1.585 1.00 0.00 C ATOM 0 H MET A 68 -23.801 -19.009 1.843 1.00 0.00 H new ATOM 0 HA MET A 68 -22.094 -18.665 -0.432 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.688 -20.231 -0.290 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.305 -20.530 -1.325 1.00 0.00 H new ATOM 0 HG2 MET A 68 -22.025 -20.850 0.970 1.00 0.00 H new ATOM 0 HG3 MET A 68 -23.636 -21.109 1.610 1.00 0.00 H new ATOM 0 HE1 MET A 68 -23.544 -24.815 1.374 1.00 0.00 H new ATOM 0 HE2 MET A 68 -22.783 -23.562 2.384 1.00 0.00 H new ATOM 0 HE3 MET A 68 -24.487 -23.399 1.896 1.00 0.00 H new ATOM 1254 N ASP A 81 -15.977 -26.552 0.914 1.00 0.00 N ATOM 1255 CA ASP A 81 -15.223 -25.507 1.597 1.00 0.00 C ATOM 1256 C ASP A 81 -15.316 -24.186 0.839 1.00 0.00 C ATOM 1257 O ASP A 81 -15.114 -24.140 -0.375 1.00 0.00 O ATOM 1258 CB ASP A 81 -13.759 -25.921 1.749 1.00 0.00 C ATOM 1259 CG ASP A 81 -13.022 -25.939 0.424 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -13.221 -26.898 -0.352 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -12.247 -24.996 0.162 1.00 0.00 O ATOM 0 HA ASP A 81 -15.657 -25.368 2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.259 -25.233 2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.710 -26.911 2.202 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.622 -23.115 1.563 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.743 -21.793 0.959 1.00 0.00 C ATOM 1268 C LEU A 82 -14.692 -20.840 1.520 1.00 0.00 C ATOM 1269 O LEU A 82 -14.066 -21.124 2.541 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.143 -21.226 1.200 1.00 0.00 C ATOM 1271 CG LEU A 82 -18.297 -22.225 1.106 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -18.643 -22.771 2.482 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -19.515 -21.574 0.466 1.00 0.00 C ATOM 0 H LEU A 82 -15.791 -23.136 2.569 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.579 -21.895 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.163 -20.770 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.319 -20.429 0.478 1.00 0.00 H new ATOM 0 HG LEU A 82 -17.982 -23.057 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -19.466 -23.480 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -17.773 -23.275 2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -18.938 -21.950 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -20.326 -22.299 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -19.832 -20.723 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -19.260 -21.233 -0.537 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.507 -19.709 0.848 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.533 -18.714 1.281 1.00 0.00 C ATOM 1287 C GLU A 83 -14.083 -17.301 1.104 1.00 0.00 C ATOM 1288 O GLU A 83 -14.722 -16.993 0.098 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.229 -18.867 0.495 1.00 0.00 C ATOM 1290 CG GLU A 83 -12.437 -19.064 -0.997 1.00 0.00 C ATOM 1291 CD GLU A 83 -12.597 -20.523 -1.377 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -12.676 -21.370 -0.462 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -12.643 -20.818 -2.590 1.00 0.00 O ATOM 0 H GLU A 83 -15.018 -19.459 0.002 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.332 -18.878 2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.613 -17.982 0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.673 -19.717 0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.322 -18.511 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.589 -18.643 -1.537 1.00 0.00 H new ATOM 1300 N PHE A 84 -13.830 -16.447 2.090 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.300 -15.067 2.045 1.00 0.00 C ATOM 1302 C PHE A 84 -13.161 -14.094 2.337 1.00 0.00 C ATOM 1303 O PHE A 84 -12.476 -14.212 3.352 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.433 -14.859 3.052 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.658 -15.676 2.752 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -16.673 -17.040 2.992 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -17.794 -15.079 2.230 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -17.798 -17.795 2.718 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -18.922 -15.828 1.955 1.00 0.00 C ATOM 1310 CZ PHE A 84 -18.924 -17.188 2.198 1.00 0.00 C ATOM 0 H PHE A 84 -13.302 -16.686 2.930 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.674 -14.870 1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.073 -15.111 4.049 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -15.705 -13.804 3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -15.795 -17.520 3.398 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -17.798 -14.017 2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -17.796 -18.858 2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -19.802 -15.350 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.804 -17.775 1.982 1.00 0.00 H new ATOM 1320 N GLU A 85 -12.966 -13.134 1.439 1.00 0.00 N ATOM 1321 CA GLU A 85 -11.909 -12.142 1.599 1.00 0.00 C ATOM 1322 C GLU A 85 -12.495 -10.740 1.738 1.00 0.00 C ATOM 1323 O GLU A 85 -11.827 -9.820 2.211 1.00 0.00 O ATOM 1324 CB GLU A 85 -10.949 -12.190 0.408 1.00 0.00 C ATOM 1325 CG GLU A 85 -10.338 -13.561 0.174 1.00 0.00 C ATOM 1326 CD GLU A 85 -9.882 -13.759 -1.259 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -9.340 -12.799 -1.847 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -10.067 -14.873 -1.792 1.00 0.00 O ATOM 0 H GLU A 85 -13.526 -13.022 0.594 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.359 -12.379 2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.483 -11.881 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.149 -11.467 0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.488 -13.695 0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.069 -14.329 0.428 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.748 -10.585 1.322 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.425 -9.296 1.400 1.00 0.00 C ATOM 1337 C ASP A 86 -15.939 -9.481 1.451 1.00 0.00 C ATOM 1338 O ASP A 86 -16.602 -9.536 0.415 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.045 -8.423 0.203 1.00 0.00 C ATOM 1340 CG ASP A 86 -14.307 -9.111 -1.122 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -13.485 -9.963 -1.521 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -15.334 -8.799 -1.759 1.00 0.00 O ATOM 0 H ASP A 86 -14.315 -11.336 0.928 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.106 -8.800 2.317 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.609 -7.491 0.243 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.989 -8.160 0.270 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.478 -9.576 2.662 1.00 0.00 N ATOM 1348 CA ILE A 87 -17.912 -9.754 2.847 1.00 0.00 C ATOM 1349 C ILE A 87 -18.698 -8.649 2.149 1.00 0.00 C ATOM 1350 O ILE A 87 -18.198 -7.547 1.921 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.289 -9.772 4.340 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -17.619 -8.607 5.072 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -17.893 -11.099 4.970 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -18.140 -8.396 6.476 1.00 0.00 C ATOM 0 H ILE A 87 -15.943 -9.533 3.529 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.170 -10.716 2.404 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.369 -9.658 4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -16.545 -8.785 5.115 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -17.768 -7.693 4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.166 -11.097 6.025 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.412 -11.912 4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -16.817 -11.241 4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -17.620 -7.555 6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -19.209 -8.186 6.440 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -17.967 -9.295 7.067 1.00 0.00 H new ATOM 1366 N PRO A 88 -19.959 -8.948 1.803 1.00 0.00 N ATOM 1367 CA PRO A 88 -20.842 -7.992 1.128 1.00 0.00 C ATOM 1368 C PRO A 88 -21.261 -6.845 2.042 1.00 0.00 C ATOM 1369 O PRO A 88 -20.733 -6.692 3.144 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.057 -8.841 0.745 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.063 -9.959 1.729 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.620 -10.241 2.044 1.00 0.00 C ATOM 0 HA PRO A 88 -20.353 -7.515 0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -22.978 -8.261 0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.974 -9.213 -0.276 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.612 -9.684 2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.552 -10.841 1.315 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.491 -10.572 3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.215 -11.025 1.404 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.211 -6.041 1.577 1.00 0.00 N ATOM 1381 CA ASP A 89 -22.701 -4.908 2.353 1.00 0.00 C ATOM 1382 C ASP A 89 -24.118 -5.167 2.856 1.00 0.00 C ATOM 1383 O ASP A 89 -24.559 -4.566 3.836 1.00 0.00 O ATOM 1384 CB ASP A 89 -22.671 -3.633 1.509 1.00 0.00 C ATOM 1385 CG ASP A 89 -23.777 -3.598 0.473 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -24.930 -3.293 0.845 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -23.490 -3.875 -0.710 1.00 0.00 O ATOM 0 H ASP A 89 -22.657 -6.153 0.667 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.046 -4.779 3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -22.762 -2.766 2.163 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -21.706 -3.555 1.009 1.00 0.00 H new ATOM 1392 N SER A 90 -24.827 -6.064 2.178 1.00 0.00 N ATOM 1393 CA SER A 90 -26.196 -6.398 2.553 1.00 0.00 C ATOM 1394 C SER A 90 -26.225 -7.178 3.864 1.00 0.00 C ATOM 1395 O SER A 90 -27.171 -7.067 4.645 1.00 0.00 O ATOM 1396 CB SER A 90 -26.865 -7.215 1.446 1.00 0.00 C ATOM 1397 OG SER A 90 -26.679 -6.607 0.180 1.00 0.00 O ATOM 0 H SER A 90 -24.476 -6.572 1.366 1.00 0.00 H new ATOM 0 HA SER A 90 -26.746 -5.467 2.692 1.00 0.00 H new ATOM 0 HB2 SER A 90 -26.451 -8.223 1.433 1.00 0.00 H new ATOM 0 HB3 SER A 90 -27.931 -7.311 1.654 1.00 0.00 H new ATOM 0 HG SER A 90 -27.114 -7.149 -0.510 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.183 -7.968 4.098 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.087 -8.767 5.315 1.00 0.00 C ATOM 1405 C LEU A 91 -24.853 -7.880 6.533 1.00 0.00 C ATOM 1406 O LEU A 91 -25.646 -7.876 7.474 1.00 0.00 O ATOM 1407 CB LEU A 91 -23.957 -9.790 5.189 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.202 -10.946 4.219 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -22.989 -11.862 4.163 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.444 -11.727 4.623 1.00 0.00 C ATOM 0 H LEU A 91 -24.393 -8.073 3.461 1.00 0.00 H new ATOM 0 HA LEU A 91 -26.032 -9.293 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -23.053 -9.266 4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -23.760 -10.207 6.177 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.365 -10.532 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.182 -12.679 3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -22.121 -11.296 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -22.794 -12.269 5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.603 -12.546 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.310 -12.130 5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.310 -11.065 4.610 1.00 0.00 H new