USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=26 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 -173:sc= -0.776 USER MOD Set 1.2: A 19 CYS SG : rot -115:sc= 1.07 USER MOD Set 1.3: A 21 THR OG1 : rot 106:sc= 1.09 USER MOD Set 1.4: A 41 CYS SG : rot 180:sc= 0.122 USER MOD Set 1.5: A 43 HIS : no HD1:sc= -0.198 X(o=-0.43,f=-0.34) USER MOD Set 1.6: A 44 CYS SG : rot -55:sc= -1.74! USER MOD Set 2.1: A 11 MET CE :methyl -151:sc= -0.5 (180deg=0) USER MOD Set 2.2: A 26 THR OG1 : rot 90:sc= -1.15 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 147:sc= -3.36! (180deg=-5.36!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00444) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.00095) USER MOD Single : A 23 SER OG : rot 110:sc= -0.2 USER MOD Single : A 24 SER OG : rot 180:sc= -0.191 USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.84 F(o=-1.6,f=-0.84) USER MOD Single : A 27 MET CE :methyl -156:sc= -3.13 (180deg=-5.69!) USER MOD Single : A 28 SER OG : rot 173:sc= -0.641 USER MOD Single : A 29 LYS NZ :NH3+ -139:sc= 0.0119 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.56 K(o=-1.6,f=-3.2!) 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 -110:sc= -2.92! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0108) USER MOD Single : A 48 HIS : no HE2:sc= -3.67 K(o=-3.7,f=-4.5) USER MOD Single : A 53 HIS : no HD1:sc= -1.04 X(o=-1,f=-1.2) USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= -0.0144 (180deg=-0.162) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -1.07 F(o=-1.8,f=-1.1) USER MOD Single : A 61 HIS : no HD1:sc= -0.0828 X(o=-0.083,f=0.014) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0835 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl 162:sc= -0.0172 (180deg=-0.418) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N LYS A 9 -2.614 -19.640 -2.328 1.00 0.00 N ATOM 118 CA LYS A 9 -3.312 -20.725 -1.649 1.00 0.00 C ATOM 119 C LYS A 9 -2.446 -21.323 -0.545 1.00 0.00 C ATOM 120 O LYS A 9 -1.255 -21.027 -0.449 1.00 0.00 O ATOM 121 CB LYS A 9 -3.703 -21.814 -2.652 1.00 0.00 C ATOM 122 CG LYS A 9 -4.339 -21.272 -3.920 1.00 0.00 C ATOM 123 CD LYS A 9 -5.412 -22.209 -4.449 1.00 0.00 C ATOM 124 CE LYS A 9 -6.504 -21.448 -5.185 1.00 0.00 C ATOM 125 NZ LYS A 9 -7.179 -22.295 -6.207 1.00 0.00 N ATOM 0 HA LYS A 9 -4.215 -20.315 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.815 -22.388 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.397 -22.505 -2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.775 -20.293 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.572 -21.129 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.960 -22.939 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.850 -22.766 -3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.241 -21.087 -4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.073 -20.571 -5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.916 -21.740 -6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.480 -22.619 -6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.612 -23.119 -5.744 1.00 0.00 H new ATOM 139 N MET A 10 -3.051 -22.167 0.284 1.00 0.00 N ATOM 140 CA MET A 10 -2.333 -22.808 1.379 1.00 0.00 C ATOM 141 C MET A 10 -3.084 -24.041 1.873 1.00 0.00 C ATOM 142 O MET A 10 -4.311 -24.039 1.957 1.00 0.00 O ATOM 143 CB MET A 10 -2.133 -21.823 2.533 1.00 0.00 C ATOM 144 CG MET A 10 -3.424 -21.180 3.014 1.00 0.00 C ATOM 145 SD MET A 10 -3.370 -20.736 4.760 1.00 0.00 S ATOM 146 CE MET A 10 -4.235 -22.125 5.489 1.00 0.00 C ATOM 0 H MET A 10 -4.036 -22.423 0.218 1.00 0.00 H new ATOM 0 HA MET A 10 -1.358 -23.122 1.006 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.663 -22.344 3.367 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.443 -21.041 2.217 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.623 -20.287 2.422 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.253 -21.867 2.843 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.819 -22.336 6.474 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.294 -21.884 5.586 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.119 -23.001 4.851 1.00 0.00 H new ATOM 156 N MET A 11 -2.337 -25.092 2.198 1.00 0.00 N ATOM 157 CA MET A 11 -2.933 -26.331 2.684 1.00 0.00 C ATOM 158 C MET A 11 -2.741 -26.472 4.190 1.00 0.00 C ATOM 159 O MET A 11 -1.658 -26.211 4.714 1.00 0.00 O ATOM 160 CB MET A 11 -2.319 -27.534 1.964 1.00 0.00 C ATOM 161 CG MET A 11 -3.230 -28.750 1.929 1.00 0.00 C ATOM 162 SD MET A 11 -2.582 -30.073 0.889 1.00 0.00 S ATOM 163 CE MET A 11 -4.003 -30.418 -0.145 1.00 0.00 C ATOM 0 H MET A 11 -1.319 -25.110 2.134 1.00 0.00 H new ATOM 0 HA MET A 11 -4.002 -26.298 2.474 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.070 -27.247 0.942 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.385 -27.804 2.456 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.368 -29.125 2.943 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.212 -28.453 1.562 1.00 0.00 H new ATOM 0 HE1 MET A 11 -3.984 -31.464 -0.452 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.917 -30.221 0.415 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.974 -29.780 -1.028 1.00 0.00 H new ATOM 173 N ILE A 12 -3.798 -26.886 4.881 1.00 0.00 N ATOM 174 CA ILE A 12 -3.744 -27.063 6.327 1.00 0.00 C ATOM 175 C ILE A 12 -4.564 -28.271 6.764 1.00 0.00 C ATOM 176 O ILE A 12 -5.760 -28.356 6.487 1.00 0.00 O ATOM 177 CB ILE A 12 -4.258 -25.813 7.066 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.560 -25.318 6.432 1.00 0.00 C ATOM 179 CG2 ILE A 12 -3.204 -24.716 7.048 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.530 -24.725 7.429 1.00 0.00 C ATOM 0 H ILE A 12 -4.702 -27.105 4.463 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.698 -27.224 6.587 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.459 -26.080 8.103 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.325 -24.569 5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.043 -26.149 5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.582 -23.839 7.574 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.299 -25.073 7.541 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.974 -24.449 6.016 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.430 -24.395 6.909 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.795 -25.478 8.171 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.066 -23.873 7.926 1.00 0.00 H new ATOM 192 N ALA A 13 -3.913 -29.205 7.450 1.00 0.00 N ATOM 193 CA ALA A 13 -4.582 -30.407 7.930 1.00 0.00 C ATOM 194 C ALA A 13 -5.060 -30.233 9.368 1.00 0.00 C ATOM 195 O ALA A 13 -4.284 -29.866 10.250 1.00 0.00 O ATOM 196 CB ALA A 13 -3.653 -31.607 7.822 1.00 0.00 C ATOM 0 H ALA A 13 -2.922 -29.152 7.686 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.457 -30.581 7.303 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.166 -32.498 8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.365 -31.752 6.781 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.761 -31.432 8.424 1.00 0.00 H new ATOM 202 N PHE A 14 -6.342 -30.498 9.597 1.00 0.00 N ATOM 203 CA PHE A 14 -6.923 -30.369 10.928 1.00 0.00 C ATOM 204 C PHE A 14 -7.623 -31.660 11.343 1.00 0.00 C ATOM 205 O PHE A 14 -8.327 -32.283 10.547 1.00 0.00 O ATOM 206 CB PHE A 14 -7.915 -29.205 10.963 1.00 0.00 C ATOM 207 CG PHE A 14 -9.352 -29.641 11.000 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.038 -29.909 9.826 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.016 -29.783 12.207 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.360 -30.312 9.856 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.338 -30.185 12.243 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.011 -30.449 11.066 1.00 0.00 C ATOM 0 H PHE A 14 -6.998 -30.803 8.878 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.115 -30.171 11.633 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.708 -28.589 11.838 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.757 -28.577 10.086 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.534 -29.802 8.877 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.495 -29.577 13.130 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.883 -30.519 8.934 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -11.844 -30.293 13.191 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.044 -30.762 11.092 1.00 0.00 H new ATOM 222 N THR A 15 -7.423 -32.058 12.596 1.00 0.00 N ATOM 223 CA THR A 15 -8.032 -33.275 13.118 1.00 0.00 C ATOM 224 C THR A 15 -9.372 -32.978 13.783 1.00 0.00 C ATOM 225 O THR A 15 -9.425 -32.339 14.834 1.00 0.00 O ATOM 226 CB THR A 15 -7.110 -33.972 14.136 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.778 -34.050 13.617 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.617 -35.370 14.455 1.00 0.00 C ATOM 0 H THR A 15 -6.844 -31.555 13.268 1.00 0.00 H new ATOM 0 HA THR A 15 -8.191 -33.939 12.268 1.00 0.00 H new ATOM 0 HB THR A 15 -7.108 -33.384 15.054 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.198 -34.493 14.271 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.950 -35.843 15.176 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.620 -35.306 14.876 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.644 -35.964 13.542 1.00 0.00 H new ATOM 236 N CYS A 16 -10.450 -33.445 13.164 1.00 0.00 N ATOM 237 CA CYS A 16 -11.791 -33.230 13.697 1.00 0.00 C ATOM 238 C CYS A 16 -11.972 -33.958 15.025 1.00 0.00 C ATOM 239 O CYS A 16 -12.079 -35.184 15.064 1.00 0.00 O ATOM 240 CB CYS A 16 -12.843 -33.704 12.693 1.00 0.00 C ATOM 241 SG CYS A 16 -14.437 -32.863 12.842 1.00 0.00 S ATOM 0 H CYS A 16 -10.422 -33.975 12.293 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.920 -32.162 13.870 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.459 -33.556 11.684 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.996 -34.775 12.822 1.00 0.00 H new ATOM 0 HG CYS A 16 -15.302 -33.429 12.054 1.00 0.00 H new ATOM 246 N LYS A 17 -12.004 -33.195 16.112 1.00 0.00 N ATOM 247 CA LYS A 17 -12.171 -33.766 17.443 1.00 0.00 C ATOM 248 C LYS A 17 -13.594 -34.280 17.640 1.00 0.00 C ATOM 249 O LYS A 17 -13.885 -34.976 18.613 1.00 0.00 O ATOM 250 CB LYS A 17 -11.842 -32.723 18.513 1.00 0.00 C ATOM 251 CG LYS A 17 -12.837 -31.577 18.572 1.00 0.00 C ATOM 252 CD LYS A 17 -12.200 -30.313 19.126 1.00 0.00 C ATOM 253 CE LYS A 17 -13.193 -29.162 19.171 1.00 0.00 C ATOM 254 NZ LYS A 17 -13.271 -28.445 17.869 1.00 0.00 N ATOM 0 H LYS A 17 -11.916 -32.179 16.097 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.483 -34.606 17.539 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.806 -33.212 19.486 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.847 -32.320 18.322 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.227 -31.381 17.573 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.685 -31.862 19.195 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.819 -30.506 20.129 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.346 -30.034 18.509 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -14.179 -29.544 19.435 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.902 -28.462 19.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.958 -27.668 17.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.336 -28.059 17.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.573 -29.107 17.126 1.00 0.00 H new ATOM 268 N LYS A 18 -14.477 -33.933 16.709 1.00 0.00 N ATOM 269 CA LYS A 18 -15.869 -34.361 16.778 1.00 0.00 C ATOM 270 C LYS A 18 -15.997 -35.849 16.468 1.00 0.00 C ATOM 271 O LYS A 18 -16.559 -36.611 17.256 1.00 0.00 O ATOM 272 CB LYS A 18 -16.722 -33.551 15.799 1.00 0.00 C ATOM 273 CG LYS A 18 -16.873 -32.090 16.189 1.00 0.00 C ATOM 274 CD LYS A 18 -16.342 -31.166 15.106 1.00 0.00 C ATOM 275 CE LYS A 18 -16.617 -29.707 15.435 1.00 0.00 C ATOM 276 NZ LYS A 18 -18.042 -29.344 15.202 1.00 0.00 N ATOM 0 H LYS A 18 -14.253 -33.357 15.898 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.226 -34.187 17.793 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.275 -33.609 14.806 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.711 -34.004 15.730 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.924 -31.869 16.374 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.339 -31.904 17.121 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.269 -31.318 14.990 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.804 -31.418 14.152 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.359 -29.515 16.477 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.976 -29.070 14.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.177 -28.330 15.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.296 -29.551 14.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.650 -29.897 15.839 1.00 0.00 H new ATOM 290 N CYS A 19 -15.471 -36.257 15.318 1.00 0.00 N ATOM 291 CA CYS A 19 -15.526 -37.654 14.905 1.00 0.00 C ATOM 292 C CYS A 19 -14.125 -38.251 14.817 1.00 0.00 C ATOM 293 O CYS A 19 -13.917 -39.280 14.177 1.00 0.00 O ATOM 294 CB CYS A 19 -16.233 -37.781 13.555 1.00 0.00 C ATOM 295 SG CYS A 19 -15.593 -36.671 12.279 1.00 0.00 S ATOM 0 H CYS A 19 -15.002 -35.640 14.655 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.090 -38.207 15.656 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.143 -38.809 13.205 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.296 -37.583 13.694 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.518 -35.824 11.937 1.00 0.00 H new ATOM 300 N ASN A 20 -13.167 -37.595 15.464 1.00 0.00 N ATOM 301 CA ASN A 20 -11.784 -38.060 15.457 1.00 0.00 C ATOM 302 C ASN A 20 -11.313 -38.343 14.034 1.00 0.00 C ATOM 303 O ASN A 20 -10.483 -39.224 13.807 1.00 0.00 O ATOM 304 CB ASN A 20 -11.644 -39.320 16.314 1.00 0.00 C ATOM 305 CG ASN A 20 -10.254 -39.467 16.902 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.392 -40.132 16.328 1.00 0.00 O ATOM 307 ND2 ASN A 20 -10.030 -38.844 18.053 1.00 0.00 N ATOM 0 H ASN A 20 -13.322 -36.741 15.999 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.159 -37.272 15.877 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.376 -39.290 17.121 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.874 -40.196 15.708 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.114 -38.906 18.497 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.774 -38.303 18.494 1.00 0.00 H new ATOM 314 N THR A 21 -11.848 -37.590 13.078 1.00 0.00 N ATOM 315 CA THR A 21 -11.483 -37.759 11.678 1.00 0.00 C ATOM 316 C THR A 21 -10.626 -36.597 11.188 1.00 0.00 C ATOM 317 O THR A 21 -11.041 -35.439 11.248 1.00 0.00 O ATOM 318 CB THR A 21 -12.730 -37.875 10.782 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.609 -38.883 11.295 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.340 -38.216 9.352 1.00 0.00 C ATOM 0 H THR A 21 -12.536 -36.857 13.249 1.00 0.00 H new ATOM 0 HA THR A 21 -10.909 -38.683 11.611 1.00 0.00 H new ATOM 0 HB THR A 21 -13.241 -36.912 10.782 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.384 -38.457 11.716 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.238 -38.293 8.738 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.694 -37.433 8.954 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.808 -39.167 9.337 1.00 0.00 H new ATOM 328 N ARG A 22 -9.430 -36.913 10.703 1.00 0.00 N ATOM 329 CA ARG A 22 -8.515 -35.894 10.203 1.00 0.00 C ATOM 330 C ARG A 22 -8.629 -35.757 8.688 1.00 0.00 C ATOM 331 O ARG A 22 -8.747 -36.751 7.972 1.00 0.00 O ATOM 332 CB ARG A 22 -7.075 -36.239 10.588 1.00 0.00 C ATOM 333 CG ARG A 22 -6.037 -35.351 9.920 1.00 0.00 C ATOM 334 CD ARG A 22 -4.731 -35.339 10.698 1.00 0.00 C ATOM 335 NE ARG A 22 -3.594 -34.981 9.854 1.00 0.00 N ATOM 336 CZ ARG A 22 -2.350 -34.869 10.306 1.00 0.00 C ATOM 337 NH1 ARG A 22 -2.084 -35.085 11.587 1.00 0.00 N ATOM 338 NH2 ARG A 22 -1.368 -34.540 9.476 1.00 0.00 N ATOM 0 H ARG A 22 -9.072 -37.866 10.646 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.788 -34.942 10.658 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.968 -36.159 11.670 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.876 -37.278 10.324 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.854 -35.704 8.905 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.423 -34.335 9.840 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.807 -34.631 11.523 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.561 -36.322 11.137 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.765 -34.808 8.863 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.836 -35.338 12.228 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.128 -34.998 11.931 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.568 -34.373 8.490 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.413 -34.454 9.824 1.00 0.00 H new ATOM 352 N SER A 23 -8.594 -34.518 8.207 1.00 0.00 N ATOM 353 CA SER A 23 -8.698 -34.250 6.777 1.00 0.00 C ATOM 354 C SER A 23 -7.982 -32.953 6.414 1.00 0.00 C ATOM 355 O SER A 23 -7.994 -31.989 7.180 1.00 0.00 O ATOM 356 CB SER A 23 -10.167 -34.169 6.358 1.00 0.00 C ATOM 357 OG SER A 23 -10.830 -35.402 6.581 1.00 0.00 O ATOM 0 H SER A 23 -8.494 -33.684 8.786 1.00 0.00 H new ATOM 0 HA SER A 23 -8.219 -35.071 6.243 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.665 -33.378 6.919 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.233 -33.902 5.303 1.00 0.00 H new ATOM 0 HG SER A 23 -11.464 -35.303 7.322 1.00 0.00 H new ATOM 363 N SER A 24 -7.359 -32.936 5.240 1.00 0.00 N ATOM 364 CA SER A 24 -6.634 -31.760 4.776 1.00 0.00 C ATOM 365 C SER A 24 -7.503 -30.918 3.846 1.00 0.00 C ATOM 366 O SER A 24 -8.317 -31.448 3.089 1.00 0.00 O ATOM 367 CB SER A 24 -5.351 -32.177 4.054 1.00 0.00 C ATOM 368 OG SER A 24 -4.486 -31.070 3.870 1.00 0.00 O ATOM 0 H SER A 24 -7.342 -33.724 4.593 1.00 0.00 H new ATOM 0 HA SER A 24 -6.373 -31.158 5.646 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.841 -32.949 4.630 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.600 -32.613 3.086 1.00 0.00 H new ATOM 0 HG SER A 24 -3.673 -31.363 3.408 1.00 0.00 H new ATOM 374 N HIS A 25 -7.324 -29.602 3.909 1.00 0.00 N ATOM 375 CA HIS A 25 -8.091 -28.685 3.074 1.00 0.00 C ATOM 376 C HIS A 25 -7.235 -27.497 2.644 1.00 0.00 C ATOM 377 O HIS A 25 -6.550 -26.883 3.463 1.00 0.00 O ATOM 378 CB HIS A 25 -9.329 -28.193 3.823 1.00 0.00 C ATOM 379 CG HIS A 25 -9.953 -29.235 4.699 1.00 0.00 C ATOM 380 ND1 HIS A 25 -9.567 -29.730 5.898 1.00 0.00 N flip ATOM 381 CD2 HIS A 25 -11.117 -29.897 4.369 1.00 0.00 C flip ATOM 382 CE1 HIS A 25 -10.496 -30.671 6.268 1.00 0.00 C flip ATOM 383 NE2 HIS A 25 -11.421 -30.752 5.329 1.00 0.00 N flip ATOM 0 H HIS A 25 -6.654 -29.147 4.530 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.408 -29.224 2.181 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.056 -27.333 4.434 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.068 -27.848 3.100 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.690 -29.741 3.467 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.474 -31.251 7.179 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.232 -31.370 5.343 1.00 0.00 H new ATOM 391 N THR A 26 -7.279 -27.177 1.355 1.00 0.00 N ATOM 392 CA THR A 26 -6.507 -26.065 0.816 1.00 0.00 C ATOM 393 C THR A 26 -7.406 -24.876 0.495 1.00 0.00 C ATOM 394 O THR A 26 -8.363 -24.998 -0.269 1.00 0.00 O ATOM 395 CB THR A 26 -5.744 -26.475 -0.457 1.00 0.00 C ATOM 396 OG1 THR A 26 -5.321 -27.839 -0.357 1.00 0.00 O ATOM 397 CG2 THR A 26 -4.534 -25.579 -0.675 1.00 0.00 C ATOM 0 H THR A 26 -7.842 -27.673 0.664 1.00 0.00 H new ATOM 0 HA THR A 26 -5.789 -25.778 1.584 1.00 0.00 H new ATOM 0 HB THR A 26 -6.416 -26.365 -1.308 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.018 -28.425 -0.720 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.011 -25.888 -1.580 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.861 -24.545 -0.780 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.862 -25.662 0.179 1.00 0.00 H new ATOM 405 N MET A 27 -7.092 -23.727 1.084 1.00 0.00 N ATOM 406 CA MET A 27 -7.872 -22.515 0.859 1.00 0.00 C ATOM 407 C MET A 27 -6.959 -21.325 0.582 1.00 0.00 C ATOM 408 O MET A 27 -5.778 -21.343 0.927 1.00 0.00 O ATOM 409 CB MET A 27 -8.760 -22.221 2.070 1.00 0.00 C ATOM 410 CG MET A 27 -7.979 -21.840 3.317 1.00 0.00 C ATOM 411 SD MET A 27 -7.405 -23.277 4.243 1.00 0.00 S ATOM 412 CE MET A 27 -8.964 -24.049 4.670 1.00 0.00 C ATOM 0 H MET A 27 -6.304 -23.609 1.720 1.00 0.00 H new ATOM 0 HA MET A 27 -8.504 -22.677 -0.014 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.446 -21.412 1.819 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.368 -23.099 2.286 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.122 -21.230 3.032 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.608 -21.225 3.961 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.833 -24.667 5.558 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.709 -23.279 4.871 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.301 -24.672 3.841 1.00 0.00 H new ATOM 422 N SER A 28 -7.514 -20.291 -0.043 1.00 0.00 N ATOM 423 CA SER A 28 -6.748 -19.094 -0.369 1.00 0.00 C ATOM 424 C SER A 28 -6.109 -18.500 0.883 1.00 0.00 C ATOM 425 O SER A 28 -6.791 -18.216 1.868 1.00 0.00 O ATOM 426 CB SER A 28 -7.648 -18.054 -1.039 1.00 0.00 C ATOM 427 OG SER A 28 -8.946 -18.060 -0.469 1.00 0.00 O ATOM 0 H SER A 28 -8.491 -20.258 -0.334 1.00 0.00 H new ATOM 0 HA SER A 28 -5.955 -19.377 -1.061 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.206 -17.063 -0.933 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.715 -18.261 -2.107 1.00 0.00 H new ATOM 0 HG SER A 28 -9.468 -17.317 -0.837 1.00 0.00 H new ATOM 433 N LYS A 29 -4.794 -18.314 0.837 1.00 0.00 N ATOM 434 CA LYS A 29 -4.060 -17.753 1.965 1.00 0.00 C ATOM 435 C LYS A 29 -4.541 -16.340 2.277 1.00 0.00 C ATOM 436 O LYS A 29 -4.504 -15.903 3.427 1.00 0.00 O ATOM 437 CB LYS A 29 -2.560 -17.739 1.667 1.00 0.00 C ATOM 438 CG LYS A 29 -1.694 -17.962 2.894 1.00 0.00 C ATOM 439 CD LYS A 29 -1.085 -16.661 3.391 1.00 0.00 C ATOM 440 CE LYS A 29 -0.018 -16.145 2.437 1.00 0.00 C ATOM 441 NZ LYS A 29 0.778 -15.040 3.040 1.00 0.00 N ATOM 0 H LYS A 29 -4.214 -18.544 0.030 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.245 -18.381 2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.337 -18.511 0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.297 -16.782 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.293 -18.410 3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.899 -18.669 2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.868 -15.911 3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.648 -16.816 4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.647 -16.963 2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.490 -15.794 1.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.946 -14.303 2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.255 -14.632 3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.690 -15.412 3.375 1.00 0.00 H new ATOM 455 N GLN A 30 -4.993 -15.632 1.247 1.00 0.00 N ATOM 456 CA GLN A 30 -5.481 -14.268 1.413 1.00 0.00 C ATOM 457 C GLN A 30 -6.800 -14.252 2.180 1.00 0.00 C ATOM 458 O GLN A 30 -6.998 -13.431 3.075 1.00 0.00 O ATOM 459 CB GLN A 30 -5.662 -13.599 0.050 1.00 0.00 C ATOM 460 CG GLN A 30 -6.471 -12.312 0.106 1.00 0.00 C ATOM 461 CD GLN A 30 -6.007 -11.380 1.208 1.00 0.00 C ATOM 462 OE1 GLN A 30 -4.862 -11.448 1.654 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.897 -10.500 1.652 1.00 0.00 N ATOM 0 H GLN A 30 -5.031 -15.980 0.289 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.741 -13.711 1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.681 -13.383 -0.373 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.154 -14.298 -0.626 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.398 -11.799 -0.853 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.523 -12.554 0.259 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.836 -10.479 1.253 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.642 -9.845 2.392 1.00 0.00 H new ATOM 472 N ALA A 31 -7.698 -15.164 1.822 1.00 0.00 N ATOM 473 CA ALA A 31 -8.996 -15.255 2.478 1.00 0.00 C ATOM 474 C ALA A 31 -8.863 -15.831 3.883 1.00 0.00 C ATOM 475 O ALA A 31 -9.654 -15.515 4.772 1.00 0.00 O ATOM 476 CB ALA A 31 -9.949 -16.102 1.647 1.00 0.00 C ATOM 0 H ALA A 31 -7.550 -15.850 1.082 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.403 -14.247 2.564 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.915 -16.162 2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.078 -15.647 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.538 -17.105 1.531 1.00 0.00 H new ATOM 482 N TYR A 32 -7.858 -16.679 4.077 1.00 0.00 N ATOM 483 CA TYR A 32 -7.623 -17.301 5.374 1.00 0.00 C ATOM 484 C TYR A 32 -6.921 -16.335 6.324 1.00 0.00 C ATOM 485 O TYR A 32 -7.334 -16.167 7.471 1.00 0.00 O ATOM 486 CB TYR A 32 -6.785 -18.571 5.210 1.00 0.00 C ATOM 487 CG TYR A 32 -6.368 -19.195 6.522 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.182 -18.825 7.144 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.160 -20.155 7.140 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.796 -19.394 8.342 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.783 -20.728 8.339 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.600 -20.344 8.936 1.00 0.00 C ATOM 493 OH TYR A 32 -5.221 -20.912 10.131 1.00 0.00 O ATOM 0 H TYR A 32 -7.194 -16.951 3.352 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.590 -17.564 5.802 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.355 -19.301 4.635 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.893 -18.335 4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.551 -18.080 6.683 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.086 -20.458 6.675 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.870 -19.097 8.811 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.411 -21.472 8.806 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.898 -21.561 10.414 1.00 0.00 H new ATOM 503 N GLU A 33 -5.859 -15.703 5.835 1.00 0.00 N ATOM 504 CA GLU A 33 -5.100 -14.753 6.640 1.00 0.00 C ATOM 505 C GLU A 33 -5.885 -13.460 6.841 1.00 0.00 C ATOM 506 O GLU A 33 -5.777 -12.810 7.881 1.00 0.00 O ATOM 507 CB GLU A 33 -3.755 -14.448 5.976 1.00 0.00 C ATOM 508 CG GLU A 33 -2.752 -15.584 6.082 1.00 0.00 C ATOM 509 CD GLU A 33 -1.316 -15.096 6.082 1.00 0.00 C ATOM 510 OE1 GLU A 33 -1.079 -13.953 5.640 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.430 -15.858 6.524 1.00 0.00 O ATOM 0 H GLU A 33 -5.505 -15.831 4.887 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.922 -15.205 7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.923 -14.220 4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.329 -13.554 6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.941 -16.146 6.997 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.898 -16.272 5.249 1.00 0.00 H new ATOM 518 N LYS A 34 -6.675 -13.093 5.838 1.00 0.00 N ATOM 519 CA LYS A 34 -7.480 -11.878 5.903 1.00 0.00 C ATOM 520 C LYS A 34 -8.904 -12.143 5.424 1.00 0.00 C ATOM 521 O LYS A 34 -9.307 -11.678 4.359 1.00 0.00 O ATOM 522 CB LYS A 34 -6.843 -10.774 5.056 1.00 0.00 C ATOM 523 CG LYS A 34 -5.401 -10.477 5.429 1.00 0.00 C ATOM 524 CD LYS A 34 -5.311 -9.382 6.480 1.00 0.00 C ATOM 525 CE LYS A 34 -5.221 -9.962 7.883 1.00 0.00 C ATOM 526 NZ LYS A 34 -4.682 -8.974 8.858 1.00 0.00 N ATOM 0 H LYS A 34 -6.775 -13.619 4.970 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.519 -11.553 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.886 -11.063 4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.432 -9.862 5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.927 -11.384 5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.849 -10.175 4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.437 -8.760 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.185 -8.735 6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.210 -10.288 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.583 -10.845 7.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.636 -9.408 9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.728 -8.682 8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.305 -8.142 8.889 1.00 0.00 H new ATOM 540 N GLY A 35 -9.661 -12.894 6.219 1.00 0.00 N ATOM 541 CA GLY A 35 -11.032 -13.206 5.859 1.00 0.00 C ATOM 542 C GLY A 35 -11.536 -14.465 6.536 1.00 0.00 C ATOM 543 O GLY A 35 -10.823 -15.082 7.328 1.00 0.00 O ATOM 0 H GLY A 35 -9.349 -13.291 7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.675 -12.369 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.103 -13.325 4.778 1.00 0.00 H new ATOM 547 N THR A 36 -12.771 -14.848 6.226 1.00 0.00 N ATOM 548 CA THR A 36 -13.372 -16.040 6.811 1.00 0.00 C ATOM 549 C THR A 36 -13.153 -17.259 5.923 1.00 0.00 C ATOM 550 O THR A 36 -13.144 -17.153 4.697 1.00 0.00 O ATOM 551 CB THR A 36 -14.883 -15.851 7.042 1.00 0.00 C ATOM 552 OG1 THR A 36 -15.175 -14.469 7.272 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.356 -16.679 8.228 1.00 0.00 C ATOM 0 H THR A 36 -13.375 -14.349 5.572 1.00 0.00 H new ATOM 0 HA THR A 36 -12.883 -16.202 7.771 1.00 0.00 H new ATOM 0 HB THR A 36 -15.410 -16.189 6.149 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.434 -14.341 8.208 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.426 -16.530 8.372 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.159 -17.734 8.037 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.822 -16.367 9.126 1.00 0.00 H new ATOM 561 N VAL A 37 -12.976 -18.418 6.550 1.00 0.00 N ATOM 562 CA VAL A 37 -12.759 -19.659 5.815 1.00 0.00 C ATOM 563 C VAL A 37 -13.522 -20.815 6.452 1.00 0.00 C ATOM 564 O VAL A 37 -13.447 -21.031 7.663 1.00 0.00 O ATOM 565 CB VAL A 37 -11.262 -20.018 5.752 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.537 -19.113 4.767 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.634 -19.929 7.134 1.00 0.00 C ATOM 0 H VAL A 37 -12.979 -18.523 7.565 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.129 -19.498 4.803 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.167 -21.046 5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.481 -19.381 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.971 -19.233 3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.638 -18.075 5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.577 -20.186 7.070 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.738 -18.914 7.516 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.136 -20.624 7.807 1.00 0.00 H new ATOM 577 N LEU A 38 -14.255 -21.556 5.630 1.00 0.00 N ATOM 578 CA LEU A 38 -15.033 -22.693 6.112 1.00 0.00 C ATOM 579 C LEU A 38 -14.612 -23.978 5.408 1.00 0.00 C ATOM 580 O LEU A 38 -14.484 -24.013 4.183 1.00 0.00 O ATOM 581 CB LEU A 38 -16.526 -22.443 5.895 1.00 0.00 C ATOM 582 CG LEU A 38 -17.217 -21.560 6.934 1.00 0.00 C ATOM 583 CD1 LEU A 38 -17.085 -22.165 8.322 1.00 0.00 C ATOM 584 CD2 LEU A 38 -16.640 -20.152 6.906 1.00 0.00 C ATOM 0 H LEU A 38 -14.328 -21.391 4.626 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.842 -22.807 7.179 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.659 -21.987 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.035 -23.406 5.870 1.00 0.00 H new ATOM 0 HG LEU A 38 -18.277 -21.502 6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.583 -21.522 9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.547 -23.152 8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.030 -22.255 8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.144 -19.537 7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.574 -20.191 7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.789 -19.717 5.918 1.00 0.00 H new ATOM 596 N ILE A 39 -14.402 -25.033 6.188 1.00 0.00 N ATOM 597 CA ILE A 39 -13.999 -26.321 5.638 1.00 0.00 C ATOM 598 C ILE A 39 -14.929 -27.435 6.109 1.00 0.00 C ATOM 599 O ILE A 39 -15.314 -27.483 7.277 1.00 0.00 O ATOM 600 CB ILE A 39 -12.553 -26.675 6.032 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.357 -26.507 7.540 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.568 -25.806 5.264 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.310 -27.433 8.120 1.00 0.00 C ATOM 0 H ILE A 39 -14.504 -25.021 7.203 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.060 -26.233 4.553 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.366 -27.717 5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.074 -25.475 7.749 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.307 -26.685 8.044 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.550 -26.067 5.553 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.695 -25.970 4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.752 -24.757 5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.224 -27.259 9.193 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.601 -28.468 7.943 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.349 -27.240 7.643 1.00 0.00 H new ATOM 615 N SER A 40 -15.285 -28.329 5.192 1.00 0.00 N ATOM 616 CA SER A 40 -16.171 -29.441 5.513 1.00 0.00 C ATOM 617 C SER A 40 -15.375 -30.724 5.732 1.00 0.00 C ATOM 618 O SER A 40 -14.509 -31.076 4.930 1.00 0.00 O ATOM 619 CB SER A 40 -17.192 -29.647 4.392 1.00 0.00 C ATOM 620 OG SER A 40 -18.210 -30.550 4.789 1.00 0.00 O ATOM 0 H SER A 40 -14.973 -28.305 4.221 1.00 0.00 H new ATOM 0 HA SER A 40 -16.698 -29.199 6.436 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.637 -28.690 4.120 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.689 -30.029 3.503 1.00 0.00 H new ATOM 0 HG SER A 40 -18.851 -30.663 4.056 1.00 0.00 H new ATOM 626 N CYS A 41 -15.674 -31.419 6.824 1.00 0.00 N ATOM 627 CA CYS A 41 -14.987 -32.663 7.151 1.00 0.00 C ATOM 628 C CYS A 41 -15.681 -33.855 6.501 1.00 0.00 C ATOM 629 O CYS A 41 -16.850 -34.141 6.759 1.00 0.00 O ATOM 630 CB CYS A 41 -14.930 -32.855 8.667 1.00 0.00 C ATOM 631 SG CYS A 41 -14.315 -34.476 9.183 1.00 0.00 S ATOM 0 H CYS A 41 -16.388 -31.142 7.498 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.971 -32.601 6.761 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.292 -32.083 9.097 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -15.929 -32.709 9.079 1.00 0.00 H new ATOM 0 HG CYS A 41 -14.302 -34.542 10.481 1.00 0.00 H new ATOM 636 N PRO A 42 -14.946 -34.568 5.634 1.00 0.00 N ATOM 637 CA PRO A 42 -15.471 -35.740 4.927 1.00 0.00 C ATOM 638 C PRO A 42 -15.699 -36.925 5.859 1.00 0.00 C ATOM 639 O PRO A 42 -15.016 -37.945 5.761 1.00 0.00 O ATOM 640 CB PRO A 42 -14.373 -36.062 3.911 1.00 0.00 C ATOM 641 CG PRO A 42 -13.127 -35.508 4.511 1.00 0.00 C ATOM 642 CD PRO A 42 -13.545 -34.284 5.278 1.00 0.00 C ATOM 0 HA PRO A 42 -16.443 -35.542 4.476 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.289 -37.136 3.746 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.583 -35.606 2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.653 -36.237 5.168 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.401 -35.255 3.738 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.928 -34.134 6.164 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.459 -33.381 4.673 1.00 0.00 H new ATOM 650 N HIS A 43 -16.663 -36.784 6.764 1.00 0.00 N ATOM 651 CA HIS A 43 -16.981 -37.844 7.713 1.00 0.00 C ATOM 652 C HIS A 43 -18.235 -37.500 8.511 1.00 0.00 C ATOM 653 O HIS A 43 -19.066 -38.367 8.785 1.00 0.00 O ATOM 654 CB HIS A 43 -15.806 -38.077 8.663 1.00 0.00 C ATOM 655 CG HIS A 43 -15.882 -39.377 9.403 1.00 0.00 C ATOM 656 ND1 HIS A 43 -15.300 -40.540 8.943 1.00 0.00 N ATOM 657 CD2 HIS A 43 -16.475 -39.694 10.578 1.00 0.00 C ATOM 658 CE1 HIS A 43 -15.533 -41.516 9.802 1.00 0.00 C ATOM 659 NE2 HIS A 43 -16.244 -41.029 10.803 1.00 0.00 N ATOM 0 H HIS A 43 -17.237 -35.946 6.860 1.00 0.00 H new ATOM 0 HA HIS A 43 -17.169 -38.758 7.149 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -14.877 -38.047 8.093 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -15.765 -37.260 9.384 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -17.027 -39.022 11.219 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -15.199 -42.538 9.703 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.569 -41.559 11.612 1.00 0.00 H new ATOM 667 N CYS A 44 -18.365 -36.231 8.882 1.00 0.00 N ATOM 668 CA CYS A 44 -19.517 -35.773 9.650 1.00 0.00 C ATOM 669 C CYS A 44 -20.323 -34.746 8.862 1.00 0.00 C ATOM 670 O CYS A 44 -21.244 -34.124 9.391 1.00 0.00 O ATOM 671 CB CYS A 44 -19.063 -35.171 10.980 1.00 0.00 C ATOM 672 SG CYS A 44 -17.729 -33.959 10.824 1.00 0.00 S ATOM 0 H CYS A 44 -17.687 -35.501 8.663 1.00 0.00 H new ATOM 0 HA CYS A 44 -20.155 -36.634 9.848 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.917 -34.695 11.462 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.734 -35.976 11.637 1.00 0.00 H new ATOM 0 HG CYS A 44 -16.729 -34.494 10.189 1.00 0.00 H new ATOM 677 N LYS A 45 -19.969 -34.572 7.593 1.00 0.00 N ATOM 678 CA LYS A 45 -20.658 -33.620 6.729 1.00 0.00 C ATOM 679 C LYS A 45 -21.044 -32.364 7.504 1.00 0.00 C ATOM 680 O LYS A 45 -22.193 -32.205 7.916 1.00 0.00 O ATOM 681 CB LYS A 45 -21.908 -34.262 6.122 1.00 0.00 C ATOM 682 CG LYS A 45 -22.764 -35.003 7.135 1.00 0.00 C ATOM 683 CD LYS A 45 -24.007 -35.592 6.489 1.00 0.00 C ATOM 684 CE LYS A 45 -24.917 -36.240 7.521 1.00 0.00 C ATOM 685 NZ LYS A 45 -24.319 -37.481 8.087 1.00 0.00 N ATOM 0 H LYS A 45 -19.208 -35.078 7.140 1.00 0.00 H new ATOM 0 HA LYS A 45 -19.977 -33.336 5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.510 -33.487 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -21.606 -34.956 5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.179 -35.800 7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -23.056 -34.321 7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.552 -34.808 5.963 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.715 -36.332 5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -25.115 -35.532 8.326 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -25.877 -36.476 7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -24.998 -37.929 8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -24.091 -38.140 7.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -23.450 -37.242 8.606 1.00 0.00 H new ATOM 699 N VAL A 46 -20.077 -31.472 7.697 1.00 0.00 N ATOM 700 CA VAL A 46 -20.317 -30.229 8.420 1.00 0.00 C ATOM 701 C VAL A 46 -19.158 -29.255 8.237 1.00 0.00 C ATOM 702 O VAL A 46 -17.993 -29.651 8.259 1.00 0.00 O ATOM 703 CB VAL A 46 -20.526 -30.485 9.924 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.224 -30.922 10.577 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.083 -29.243 10.603 1.00 0.00 C ATOM 0 H VAL A 46 -19.120 -31.587 7.363 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.225 -29.792 8.005 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.251 -31.291 10.041 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.391 -31.098 11.640 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.872 -31.841 10.108 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.474 -30.141 10.452 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.225 -29.442 11.665 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.384 -28.416 10.478 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.040 -28.980 10.152 1.00 0.00 H new ATOM 715 N ARG A 47 -19.487 -27.980 8.058 1.00 0.00 N ATOM 716 CA ARG A 47 -18.473 -26.949 7.871 1.00 0.00 C ATOM 717 C ARG A 47 -18.082 -26.323 9.207 1.00 0.00 C ATOM 718 O ARG A 47 -18.942 -25.931 9.996 1.00 0.00 O ATOM 719 CB ARG A 47 -18.985 -25.867 6.919 1.00 0.00 C ATOM 720 CG ARG A 47 -19.483 -26.411 5.590 1.00 0.00 C ATOM 721 CD ARG A 47 -18.704 -25.826 4.422 1.00 0.00 C ATOM 722 NE ARG A 47 -19.490 -24.846 3.677 1.00 0.00 N ATOM 723 CZ ARG A 47 -19.129 -24.360 2.494 1.00 0.00 C ATOM 724 NH1 ARG A 47 -18.001 -24.761 1.926 1.00 0.00 N ATOM 725 NH2 ARG A 47 -19.897 -23.471 1.878 1.00 0.00 N ATOM 0 H ARG A 47 -20.447 -27.636 8.039 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.590 -27.417 7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.794 -25.321 7.404 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.185 -25.151 6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -19.391 -27.497 5.583 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -20.542 -26.180 5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -17.794 -25.355 4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.397 -26.629 3.752 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.364 -24.517 4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.408 -25.444 2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.726 -24.387 1.018 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.766 -23.160 2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -19.619 -23.099 0.970 1.00 0.00 H new ATOM 739 N HIS A 48 -16.779 -26.232 9.453 1.00 0.00 N ATOM 740 CA HIS A 48 -16.274 -25.653 10.693 1.00 0.00 C ATOM 741 C HIS A 48 -15.427 -24.416 10.409 1.00 0.00 C ATOM 742 O HIS A 48 -14.795 -24.311 9.357 1.00 0.00 O ATOM 743 CB HIS A 48 -15.449 -26.684 11.463 1.00 0.00 C ATOM 744 CG HIS A 48 -15.276 -27.980 10.731 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.194 -29.007 10.792 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.284 -28.412 9.918 1.00 0.00 C ATOM 747 CE1 HIS A 48 -15.773 -30.015 10.049 1.00 0.00 C ATOM 748 NE2 HIS A 48 -14.616 -29.679 9.507 1.00 0.00 N ATOM 0 H HIS A 48 -16.054 -26.552 8.811 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.129 -25.355 11.301 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.467 -26.264 11.678 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.929 -26.879 12.422 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -17.062 -28.991 11.327 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.396 -27.862 9.644 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.287 -30.954 9.909 1.00 0.00 H new ATOM 756 N LEU A 49 -15.419 -23.481 11.353 1.00 0.00 N ATOM 757 CA LEU A 49 -14.650 -22.250 11.205 1.00 0.00 C ATOM 758 C LEU A 49 -13.195 -22.465 11.610 1.00 0.00 C ATOM 759 O LEU A 49 -12.912 -23.073 12.643 1.00 0.00 O ATOM 760 CB LEU A 49 -15.268 -21.135 12.050 1.00 0.00 C ATOM 761 CG LEU A 49 -14.433 -19.863 12.196 1.00 0.00 C ATOM 762 CD1 LEU A 49 -14.401 -19.092 10.885 1.00 0.00 C ATOM 763 CD2 LEU A 49 -14.981 -18.990 13.316 1.00 0.00 C ATOM 0 H LEU A 49 -15.936 -23.552 12.229 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.676 -21.958 10.155 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.230 -20.866 11.613 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.469 -21.530 13.046 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.413 -20.149 12.451 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.802 -18.190 11.008 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.962 -19.716 10.107 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.416 -18.817 10.600 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -14.374 -18.089 13.405 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -16.011 -18.713 13.091 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.951 -19.542 14.255 1.00 0.00 H new ATOM 775 N ILE A 50 -12.278 -21.960 10.792 1.00 0.00 N ATOM 776 CA ILE A 50 -10.853 -22.094 11.067 1.00 0.00 C ATOM 777 C ILE A 50 -10.231 -20.745 11.412 1.00 0.00 C ATOM 778 O ILE A 50 -9.566 -20.601 12.438 1.00 0.00 O ATOM 779 CB ILE A 50 -10.102 -22.701 9.867 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.069 -22.958 8.710 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.403 -23.989 10.277 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.399 -23.518 7.475 1.00 0.00 C ATOM 0 H ILE A 50 -12.496 -21.454 9.933 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.758 -22.765 11.921 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.346 -21.991 9.533 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.842 -23.652 9.040 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.569 -22.025 8.451 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.877 -24.406 9.419 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.689 -23.778 11.073 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.142 -24.707 10.633 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.145 -23.675 6.696 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.646 -22.815 7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.923 -24.468 7.718 1.00 0.00 H new ATOM 794 N ALA A 51 -10.453 -19.759 10.549 1.00 0.00 N ATOM 795 CA ALA A 51 -9.917 -18.421 10.764 1.00 0.00 C ATOM 796 C ALA A 51 -10.983 -17.358 10.521 1.00 0.00 C ATOM 797 O ALA A 51 -11.340 -17.072 9.378 1.00 0.00 O ATOM 798 CB ALA A 51 -8.716 -18.182 9.862 1.00 0.00 C ATOM 0 H ALA A 51 -11.000 -19.862 9.694 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.597 -18.347 11.803 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.326 -17.179 10.033 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.941 -18.915 10.086 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.019 -18.280 8.819 1.00 0.00 H new ATOM 804 N ASP A 52 -11.489 -16.775 11.603 1.00 0.00 N ATOM 805 CA ASP A 52 -12.514 -15.743 11.507 1.00 0.00 C ATOM 806 C ASP A 52 -11.886 -14.353 11.493 1.00 0.00 C ATOM 807 O ASP A 52 -11.240 -13.942 12.458 1.00 0.00 O ATOM 808 CB ASP A 52 -13.497 -15.861 12.673 1.00 0.00 C ATOM 809 CG ASP A 52 -12.798 -16.079 14.000 1.00 0.00 C ATOM 810 OD1 ASP A 52 -12.258 -17.185 14.211 1.00 0.00 O ATOM 811 OD2 ASP A 52 -12.791 -15.144 14.828 1.00 0.00 O ATOM 0 H ASP A 52 -11.205 -17.000 12.557 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.054 -15.887 10.571 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.101 -14.955 12.728 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.181 -16.689 12.486 1.00 0.00 H new ATOM 816 N HIS A 53 -12.080 -13.633 10.392 1.00 0.00 N ATOM 817 CA HIS A 53 -11.531 -12.288 10.253 1.00 0.00 C ATOM 818 C HIS A 53 -12.636 -11.280 9.949 1.00 0.00 C ATOM 819 O HIS A 53 -12.590 -10.137 10.405 1.00 0.00 O ATOM 820 CB HIS A 53 -10.478 -12.257 9.145 1.00 0.00 C ATOM 821 CG HIS A 53 -9.076 -12.126 9.656 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.508 -10.916 9.996 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.126 -13.063 9.886 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.270 -11.115 10.411 1.00 0.00 C ATOM 825 NE2 HIS A 53 -7.014 -12.409 10.354 1.00 0.00 N ATOM 0 H HIS A 53 -12.612 -13.958 9.585 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.062 -12.013 11.198 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.557 -13.170 8.554 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.691 -11.424 8.475 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.225 -14.127 9.730 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.584 -10.349 10.741 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.133 -12.851 10.615 1.00 0.00 H new ATOM 833 N LEU A 54 -13.627 -11.711 9.176 1.00 0.00 N ATOM 834 CA LEU A 54 -14.743 -10.846 8.811 1.00 0.00 C ATOM 835 C LEU A 54 -15.786 -10.803 9.923 1.00 0.00 C ATOM 836 O LEU A 54 -16.733 -10.018 9.872 1.00 0.00 O ATOM 837 CB LEU A 54 -15.387 -11.333 7.512 1.00 0.00 C ATOM 838 CG LEU A 54 -14.443 -11.520 6.323 1.00 0.00 C ATOM 839 CD1 LEU A 54 -15.116 -12.335 5.230 1.00 0.00 C ATOM 840 CD2 LEU A 54 -13.991 -10.170 5.784 1.00 0.00 C ATOM 0 H LEU A 54 -13.680 -12.654 8.790 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.355 -9.838 8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.882 -12.284 7.710 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.163 -10.623 7.226 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.563 -12.066 6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.429 -12.458 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.389 -13.315 5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.013 -11.818 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.320 -10.322 4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.860 -9.598 5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.468 -9.622 6.568 1.00 0.00 H new ATOM 852 N LYS A 55 -15.604 -11.650 10.931 1.00 0.00 N ATOM 853 CA LYS A 55 -16.526 -11.708 12.059 1.00 0.00 C ATOM 854 C LYS A 55 -17.971 -11.796 11.577 1.00 0.00 C ATOM 855 O LYS A 55 -18.839 -11.063 12.052 1.00 0.00 O ATOM 856 CB LYS A 55 -16.349 -10.477 12.951 1.00 0.00 C ATOM 857 CG LYS A 55 -14.898 -10.153 13.260 1.00 0.00 C ATOM 858 CD LYS A 55 -14.779 -8.957 14.189 1.00 0.00 C ATOM 859 CE LYS A 55 -14.921 -9.368 15.647 1.00 0.00 C ATOM 860 NZ LYS A 55 -13.727 -10.114 16.132 1.00 0.00 N ATOM 0 H LYS A 55 -14.825 -12.306 10.989 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.299 -12.604 12.636 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.809 -9.617 12.464 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.884 -10.637 13.887 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.420 -11.019 13.718 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.364 -9.948 12.332 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.814 -8.473 14.039 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.546 -8.224 13.940 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.069 -8.480 16.262 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.809 -9.989 15.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.715 -10.111 17.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.768 -11.095 15.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.864 -9.658 15.774 1.00 0.00 H new ATOM 874 N ILE A 56 -18.221 -12.698 10.634 1.00 0.00 N ATOM 875 CA ILE A 56 -19.561 -12.883 10.091 1.00 0.00 C ATOM 876 C ILE A 56 -20.456 -13.625 11.077 1.00 0.00 C ATOM 877 O ILE A 56 -21.567 -13.187 11.374 1.00 0.00 O ATOM 878 CB ILE A 56 -19.527 -13.659 8.761 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.668 -12.917 7.734 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.938 -13.863 8.231 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.253 -13.776 6.560 1.00 0.00 C ATOM 0 H ILE A 56 -17.514 -13.312 10.230 1.00 0.00 H new ATOM 0 HA ILE A 56 -19.969 -11.888 9.912 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.082 -14.638 8.940 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -19.222 -12.054 7.365 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.775 -12.535 8.228 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.898 -14.413 7.291 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.521 -14.429 8.957 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.408 -12.894 8.065 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.647 -13.185 5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.671 -14.625 6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -19.141 -14.137 6.042 1.00 0.00 H new ATOM 893 N PHE A 57 -19.963 -14.751 11.582 1.00 0.00 N ATOM 894 CA PHE A 57 -20.718 -15.555 12.536 1.00 0.00 C ATOM 895 C PHE A 57 -20.607 -14.976 13.944 1.00 0.00 C ATOM 896 O PHE A 57 -21.379 -15.330 14.836 1.00 0.00 O ATOM 897 CB PHE A 57 -20.217 -17.001 12.527 1.00 0.00 C ATOM 898 CG PHE A 57 -20.112 -17.590 11.149 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.236 -18.083 10.505 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.891 -17.650 10.498 1.00 0.00 C ATOM 901 CE1 PHE A 57 -21.142 -18.626 9.238 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.791 -18.192 9.230 1.00 0.00 C ATOM 903 CZ PHE A 57 -19.919 -18.680 8.599 1.00 0.00 C ATOM 0 H PHE A 57 -19.045 -15.127 11.347 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.766 -15.539 12.236 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.239 -17.041 13.006 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.891 -17.614 13.125 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -22.196 -18.042 10.999 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -18.006 -17.269 10.987 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -22.025 -19.008 8.747 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.833 -18.234 8.734 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.844 -19.103 7.608 1.00 0.00 H new ATOM 913 N HIS A 58 -19.640 -14.084 14.135 1.00 0.00 N ATOM 914 CA HIS A 58 -19.427 -13.455 15.434 1.00 0.00 C ATOM 915 C HIS A 58 -20.679 -12.713 15.890 1.00 0.00 C ATOM 916 O HIS A 58 -20.928 -12.573 17.088 1.00 0.00 O ATOM 917 CB HIS A 58 -18.243 -12.489 15.368 1.00 0.00 C ATOM 918 CG HIS A 58 -17.836 -11.949 16.704 1.00 0.00 C ATOM 919 ND1 HIS A 58 -18.287 -10.742 17.197 1.00 0.00 N ATOM 920 CD2 HIS A 58 -17.016 -12.458 17.653 1.00 0.00 C ATOM 921 CE1 HIS A 58 -17.761 -10.533 18.390 1.00 0.00 C ATOM 922 NE2 HIS A 58 -16.986 -11.559 18.690 1.00 0.00 N ATOM 0 H HIS A 58 -18.992 -13.781 13.408 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.207 -14.239 16.158 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.392 -13.000 14.917 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -18.499 -11.657 14.712 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -16.484 -13.397 17.604 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -17.935 -9.669 19.014 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -16.452 -11.666 19.552 1.00 0.00 H new ATOM 930 N ASP A 59 -21.463 -12.239 14.928 1.00 0.00 N ATOM 931 CA ASP A 59 -22.690 -11.511 15.231 1.00 0.00 C ATOM 932 C ASP A 59 -23.855 -12.473 15.440 1.00 0.00 C ATOM 933 O ASP A 59 -24.999 -12.051 15.615 1.00 0.00 O ATOM 934 CB ASP A 59 -23.018 -10.530 14.104 1.00 0.00 C ATOM 935 CG ASP A 59 -21.778 -10.048 13.378 1.00 0.00 C ATOM 936 OD1 ASP A 59 -21.011 -9.261 13.971 1.00 0.00 O ATOM 937 OD2 ASP A 59 -21.575 -10.457 12.216 1.00 0.00 O ATOM 0 H ASP A 59 -21.271 -12.346 13.932 1.00 0.00 H new ATOM 0 HA ASP A 59 -22.533 -10.953 16.154 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -23.689 -11.010 13.392 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -23.551 -9.673 14.516 1.00 0.00 H new ATOM 942 N HIS A 60 -23.557 -13.768 15.421 1.00 0.00 N ATOM 943 CA HIS A 60 -24.580 -14.791 15.608 1.00 0.00 C ATOM 944 C HIS A 60 -25.912 -14.342 15.014 1.00 0.00 C ATOM 945 O HIS A 60 -26.956 -14.439 15.660 1.00 0.00 O ATOM 946 CB HIS A 60 -24.752 -15.105 17.094 1.00 0.00 C ATOM 947 CG HIS A 60 -24.797 -13.886 17.963 1.00 0.00 C ATOM 948 ND1 HIS A 60 -25.766 -12.956 18.134 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -23.756 -13.507 18.784 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -25.299 -12.043 19.047 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -24.084 -12.399 19.424 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.616 -14.134 15.278 1.00 0.00 H new ATOM 0 HA HIS A 60 -24.256 -15.693 15.089 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.671 -15.674 17.233 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -23.930 -15.743 17.420 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -22.819 -14.034 18.888 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -25.837 -11.175 19.399 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -23.498 -11.902 20.095 1.00 0.00 H new ATOM 959 N HIS A 61 -25.868 -13.851 13.779 1.00 0.00 N ATOM 960 CA HIS A 61 -27.072 -13.387 13.098 1.00 0.00 C ATOM 961 C HIS A 61 -27.099 -13.874 11.652 1.00 0.00 C ATOM 962 O HIS A 61 -27.966 -13.481 10.871 1.00 0.00 O ATOM 963 CB HIS A 61 -27.148 -11.860 13.136 1.00 0.00 C ATOM 964 CG HIS A 61 -28.098 -11.333 14.167 1.00 0.00 C ATOM 965 ND1 HIS A 61 -29.293 -10.723 13.847 1.00 0.00 N ATOM 966 CD2 HIS A 61 -28.025 -11.329 15.518 1.00 0.00 C ATOM 967 CE1 HIS A 61 -29.913 -10.366 14.958 1.00 0.00 C ATOM 968 NE2 HIS A 61 -29.164 -10.722 15.986 1.00 0.00 N ATOM 0 H HIS A 61 -25.013 -13.764 13.230 1.00 0.00 H new ATOM 0 HA HIS A 61 -27.937 -13.799 13.618 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.153 -11.460 13.332 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.451 -11.495 12.155 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -27.220 -11.729 16.117 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -30.870 -9.868 15.016 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -29.394 -10.571 16.968 1.00 0.00 H new ATOM 976 N VAL A 62 -26.145 -14.730 11.303 1.00 0.00 N ATOM 977 CA VAL A 62 -26.060 -15.271 9.952 1.00 0.00 C ATOM 978 C VAL A 62 -25.771 -16.768 9.976 1.00 0.00 C ATOM 979 O VAL A 62 -24.838 -17.221 10.641 1.00 0.00 O ATOM 980 CB VAL A 62 -24.967 -14.561 9.131 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.607 -14.738 9.787 1.00 0.00 C ATOM 982 CG2 VAL A 62 -24.951 -15.084 7.702 1.00 0.00 C ATOM 0 H VAL A 62 -25.420 -15.064 11.937 1.00 0.00 H new ATOM 0 HA VAL A 62 -27.028 -15.099 9.481 1.00 0.00 H new ATOM 0 HB VAL A 62 -25.193 -13.495 9.102 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.848 -14.230 9.193 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.629 -14.312 10.790 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.368 -15.800 9.849 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -24.173 -14.572 7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.749 -16.155 7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.919 -14.900 7.236 1.00 0.00 H new ATOM 992 N THR A 63 -26.576 -17.533 9.245 1.00 0.00 N ATOM 993 CA THR A 63 -26.408 -18.979 9.183 1.00 0.00 C ATOM 994 C THR A 63 -25.525 -19.379 8.006 1.00 0.00 C ATOM 995 O THR A 63 -25.316 -18.597 7.080 1.00 0.00 O ATOM 996 CB THR A 63 -27.765 -19.698 9.060 1.00 0.00 C ATOM 997 OG1 THR A 63 -27.582 -21.113 9.179 1.00 0.00 O ATOM 998 CG2 THR A 63 -28.428 -19.377 7.729 1.00 0.00 C ATOM 0 H THR A 63 -27.351 -17.174 8.687 1.00 0.00 H new ATOM 0 HA THR A 63 -25.928 -19.282 10.114 1.00 0.00 H new ATOM 0 HB THR A 63 -28.412 -19.347 9.864 1.00 0.00 H new ATOM 0 HG1 THR A 63 -28.449 -21.563 9.101 1.00 0.00 H new ATOM 0 HG21 THR A 63 -29.385 -19.896 7.665 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.592 -18.302 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.783 -19.703 6.913 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.009 -20.604 8.049 1.00 0.00 N ATOM 1007 CA VAL A 64 -24.150 -21.109 6.985 1.00 0.00 C ATOM 1008 C VAL A 64 -24.841 -21.015 5.630 1.00 0.00 C ATOM 1009 O VAL A 64 -24.188 -20.850 4.600 1.00 0.00 O ATOM 1010 CB VAL A 64 -23.741 -22.572 7.241 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -24.935 -23.498 7.066 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -22.602 -22.976 6.317 1.00 0.00 C ATOM 0 H VAL A 64 -25.171 -21.264 8.809 1.00 0.00 H new ATOM 0 HA VAL A 64 -23.256 -20.486 6.977 1.00 0.00 H new ATOM 0 HB VAL A 64 -23.392 -22.659 8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -24.627 -24.527 7.251 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -25.717 -23.221 7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -25.317 -23.411 6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -22.326 -24.012 6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -22.921 -22.874 5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -21.742 -22.331 6.497 1.00 0.00 H new ATOM 1022 N GLU A 65 -26.166 -21.122 5.638 1.00 0.00 N ATOM 1023 CA GLU A 65 -26.946 -21.049 4.408 1.00 0.00 C ATOM 1024 C GLU A 65 -26.862 -19.656 3.792 1.00 0.00 C ATOM 1025 O GLU A 65 -26.717 -19.511 2.579 1.00 0.00 O ATOM 1026 CB GLU A 65 -28.407 -21.411 4.682 1.00 0.00 C ATOM 1027 CG GLU A 65 -28.576 -22.648 5.548 1.00 0.00 C ATOM 1028 CD GLU A 65 -29.986 -23.205 5.501 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -30.930 -22.459 5.834 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -30.144 -24.387 5.131 1.00 0.00 O ATOM 0 H GLU A 65 -26.722 -21.259 6.482 1.00 0.00 H new ATOM 0 HA GLU A 65 -26.529 -21.765 3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.896 -20.567 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -28.917 -21.570 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -27.875 -23.415 5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -28.320 -22.403 6.579 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.954 -18.635 4.638 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.890 -17.253 4.177 1.00 0.00 C ATOM 1039 C GLN A 66 -25.525 -16.944 3.571 1.00 0.00 C ATOM 1040 O GLN A 66 -25.415 -16.149 2.637 1.00 0.00 O ATOM 1041 CB GLN A 66 -27.177 -16.294 5.333 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.659 -16.108 5.617 1.00 0.00 C ATOM 1043 CD GLN A 66 -28.925 -15.035 6.654 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -29.308 -15.331 7.786 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.724 -13.779 6.271 1.00 0.00 N ATOM 0 H GLN A 66 -27.073 -18.739 5.646 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.648 -17.118 3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.687 -16.666 6.233 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.734 -15.324 5.107 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -29.172 -15.848 4.691 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -29.080 -17.053 5.961 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -28.406 -13.580 5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -28.888 -13.014 6.925 1.00 0.00 H new ATOM 1054 N LEU A 67 -24.488 -17.577 4.109 1.00 0.00 N ATOM 1055 CA LEU A 67 -23.129 -17.369 3.621 1.00 0.00 C ATOM 1056 C LEU A 67 -23.031 -17.681 2.131 1.00 0.00 C ATOM 1057 O LEU A 67 -22.446 -16.918 1.364 1.00 0.00 O ATOM 1058 CB LEU A 67 -22.147 -18.244 4.402 1.00 0.00 C ATOM 1059 CG LEU A 67 -21.524 -17.608 5.646 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -20.389 -16.674 5.256 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -22.580 -16.861 6.448 1.00 0.00 C ATOM 0 H LEU A 67 -24.562 -18.238 4.882 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.872 -16.320 3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.664 -19.155 4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.343 -18.542 3.729 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.115 -18.402 6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -19.958 -16.231 6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -19.621 -17.236 4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -20.773 -15.885 4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -22.119 -16.415 7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -23.018 -16.076 5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -23.360 -17.556 6.759 1.00 0.00 H new ATOM 1073 N MET A 68 -23.611 -18.807 1.728 1.00 0.00 N ATOM 1074 CA MET A 68 -23.592 -19.218 0.329 1.00 0.00 C ATOM 1075 C MET A 68 -24.538 -18.359 -0.503 1.00 0.00 C ATOM 1076 O MET A 68 -24.265 -18.063 -1.666 1.00 0.00 O ATOM 1077 CB MET A 68 -23.980 -20.693 0.203 1.00 0.00 C ATOM 1078 CG MET A 68 -23.290 -21.592 1.217 1.00 0.00 C ATOM 1079 SD MET A 68 -23.735 -23.328 1.022 1.00 0.00 S ATOM 1080 CE MET A 68 -24.038 -23.793 2.725 1.00 0.00 C ATOM 0 H MET A 68 -24.100 -19.451 2.350 1.00 0.00 H new ATOM 0 HA MET A 68 -22.579 -19.083 -0.050 1.00 0.00 H new ATOM 0 HB2 MET A 68 -25.059 -20.788 0.321 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.738 -21.039 -0.802 1.00 0.00 H new ATOM 0 HG2 MET A 68 -22.210 -21.484 1.117 1.00 0.00 H new ATOM 0 HG3 MET A 68 -23.551 -21.265 2.224 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.619 -24.715 2.753 1.00 0.00 H new ATOM 0 HE2 MET A 68 -23.087 -23.947 3.235 1.00 0.00 H new ATOM 0 HE3 MET A 68 -24.593 -23.000 3.226 1.00 0.00 H new ATOM 1254 N ASP A 81 -15.964 -26.488 0.328 1.00 0.00 N ATOM 1255 CA ASP A 81 -14.937 -25.483 0.577 1.00 0.00 C ATOM 1256 C ASP A 81 -15.437 -24.091 0.204 1.00 0.00 C ATOM 1257 O ASP A 81 -15.915 -23.868 -0.909 1.00 0.00 O ATOM 1258 CB ASP A 81 -13.669 -25.811 -0.214 1.00 0.00 C ATOM 1259 CG ASP A 81 -13.908 -25.824 -1.711 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -14.544 -26.780 -2.203 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -13.459 -24.878 -2.391 1.00 0.00 O ATOM 0 HA ASP A 81 -14.705 -25.493 1.642 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.897 -25.078 0.022 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -13.290 -26.784 0.099 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.326 -23.157 1.142 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.768 -21.786 0.913 1.00 0.00 C ATOM 1268 C LEU A 82 -14.886 -20.796 1.668 1.00 0.00 C ATOM 1269 O LEU A 82 -14.406 -21.088 2.762 1.00 0.00 O ATOM 1270 CB LEU A 82 -17.226 -21.620 1.346 1.00 0.00 C ATOM 1271 CG LEU A 82 -17.901 -20.309 0.942 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -17.803 -20.099 -0.561 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -19.356 -20.298 1.390 1.00 0.00 C ATOM 0 H LEU A 82 -14.934 -23.324 2.069 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.686 -21.578 -0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -17.804 -22.446 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.274 -21.711 2.431 1.00 0.00 H new ATOM 0 HG LEU A 82 -17.383 -19.488 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -18.289 -19.161 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -16.754 -20.062 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -18.296 -20.923 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -19.821 -19.357 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -19.887 -21.128 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -19.404 -20.401 2.474 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.680 -19.624 1.075 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.857 -18.591 1.693 1.00 0.00 C ATOM 1287 C GLU A 83 -14.403 -17.201 1.380 1.00 0.00 C ATOM 1288 O GLU A 83 -15.022 -16.984 0.337 1.00 0.00 O ATOM 1289 CB GLU A 83 -12.410 -18.703 1.208 1.00 0.00 C ATOM 1290 CG GLU A 83 -12.276 -18.746 -0.305 1.00 0.00 C ATOM 1291 CD GLU A 83 -12.516 -17.396 -0.950 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -11.882 -16.410 -0.519 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -13.338 -17.325 -1.888 1.00 0.00 O ATOM 0 H GLU A 83 -15.071 -19.367 0.169 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.884 -18.739 2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.841 -17.856 1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.963 -19.603 1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.278 -19.098 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.985 -19.469 -0.708 1.00 0.00 H new ATOM 1300 N PHE A 84 -14.171 -16.261 2.291 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.640 -14.892 2.114 1.00 0.00 C ATOM 1302 C PHE A 84 -13.507 -13.895 2.340 1.00 0.00 C ATOM 1303 O PHE A 84 -12.823 -13.940 3.362 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.793 -14.598 3.076 1.00 0.00 C ATOM 1305 CG PHE A 84 -17.041 -15.377 2.772 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -17.094 -16.742 3.003 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -18.160 -14.744 2.256 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -18.241 -17.461 2.724 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -19.310 -15.458 1.975 1.00 0.00 C ATOM 1310 CZ PHE A 84 -19.350 -16.819 2.210 1.00 0.00 C ATOM 0 H PHE A 84 -13.661 -16.423 3.159 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.995 -14.785 1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -15.473 -14.823 4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -16.022 -13.533 3.042 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -16.230 -17.250 3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -18.134 -13.680 2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -18.270 -18.525 2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -20.176 -14.953 1.573 1.00 0.00 H new ATOM 0 HZ PHE A 84 -20.247 -17.380 1.992 1.00 0.00 H new ATOM 1320 N GLU A 85 -13.316 -12.998 1.378 1.00 0.00 N ATOM 1321 CA GLU A 85 -12.265 -11.991 1.472 1.00 0.00 C ATOM 1322 C GLU A 85 -12.840 -10.642 1.894 1.00 0.00 C ATOM 1323 O GLU A 85 -12.184 -9.864 2.587 1.00 0.00 O ATOM 1324 CB GLU A 85 -11.541 -11.852 0.132 1.00 0.00 C ATOM 1325 CG GLU A 85 -10.062 -11.531 0.270 1.00 0.00 C ATOM 1326 CD GLU A 85 -9.614 -10.427 -0.668 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -10.245 -10.262 -1.733 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -8.634 -9.728 -0.337 1.00 0.00 O ATOM 0 H GLU A 85 -13.874 -12.948 0.526 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.553 -12.316 2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.652 -12.780 -0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.022 -11.067 -0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.853 -11.236 1.298 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.479 -12.430 0.071 1.00 0.00 H new ATOM 1335 N ASP A 86 -14.070 -10.371 1.471 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.735 -9.117 1.804 1.00 0.00 C ATOM 1337 C ASP A 86 -16.250 -9.261 1.699 1.00 0.00 C ATOM 1338 O ASP A 86 -16.811 -9.234 0.603 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.251 -7.997 0.882 1.00 0.00 C ATOM 1340 CG ASP A 86 -14.398 -6.626 1.510 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -15.540 -6.125 1.583 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -13.371 -6.052 1.929 1.00 0.00 O ATOM 0 H ASP A 86 -14.627 -11.004 0.896 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.483 -8.863 2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.205 -8.167 0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.815 -8.029 -0.050 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.906 -9.414 2.845 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.356 -9.562 2.881 1.00 0.00 C ATOM 1349 C ILE A 87 -19.040 -8.467 2.069 1.00 0.00 C ATOM 1350 O ILE A 87 -18.521 -7.362 1.909 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.890 -9.524 4.325 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -18.560 -8.181 4.979 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -18.305 -10.671 5.135 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -17.388 -8.244 5.932 1.00 0.00 C ATOM 0 H ILE A 87 -16.456 -9.439 3.760 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.585 -10.533 2.443 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.974 -9.638 4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -18.345 -7.450 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -19.437 -7.824 5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.691 -10.631 6.153 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.585 -11.620 4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.219 -10.585 5.155 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -17.212 -7.256 6.358 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -17.608 -8.950 6.733 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -16.498 -8.571 5.394 1.00 0.00 H new ATOM 1366 N PRO A 88 -20.235 -8.778 1.545 1.00 0.00 N ATOM 1367 CA PRO A 88 -21.018 -7.834 0.743 1.00 0.00 C ATOM 1368 C PRO A 88 -21.574 -6.686 1.578 1.00 0.00 C ATOM 1369 O PRO A 88 -21.178 -6.493 2.728 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.157 -8.695 0.192 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.298 -9.809 1.172 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.914 -10.077 1.695 1.00 0.00 C ATOM 0 HA PRO A 88 -20.414 -7.357 -0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -23.081 -8.123 0.108 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.923 -9.071 -0.804 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.975 -9.534 1.981 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.714 -10.697 0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.934 -10.402 2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.414 -10.860 1.125 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.494 -5.927 0.994 1.00 0.00 N ATOM 1381 CA ASP A 89 -23.106 -4.798 1.685 1.00 0.00 C ATOM 1382 C ASP A 89 -24.504 -5.157 2.181 1.00 0.00 C ATOM 1383 O ASP A 89 -25.006 -4.565 3.136 1.00 0.00 O ATOM 1384 CB ASP A 89 -23.177 -3.583 0.760 1.00 0.00 C ATOM 1385 CG ASP A 89 -24.122 -3.797 -0.406 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -24.020 -4.851 -1.067 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -24.964 -2.909 -0.658 1.00 0.00 O ATOM 0 H ASP A 89 -22.833 -6.073 0.043 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.485 -4.553 2.547 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -23.501 -2.713 1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -22.180 -3.361 0.380 1.00 0.00 H new ATOM 1392 N SER A 90 -25.127 -6.131 1.524 1.00 0.00 N ATOM 1393 CA SER A 90 -26.469 -6.566 1.894 1.00 0.00 C ATOM 1394 C SER A 90 -26.446 -7.337 3.211 1.00 0.00 C ATOM 1395 O SER A 90 -27.422 -7.337 3.961 1.00 0.00 O ATOM 1396 CB SER A 90 -27.068 -7.438 0.790 1.00 0.00 C ATOM 1397 OG SER A 90 -28.278 -8.041 1.216 1.00 0.00 O ATOM 0 H SER A 90 -24.724 -6.633 0.733 1.00 0.00 H new ATOM 0 HA SER A 90 -27.089 -5.679 2.023 1.00 0.00 H new ATOM 0 HB2 SER A 90 -27.253 -6.832 -0.097 1.00 0.00 H new ATOM 0 HB3 SER A 90 -26.354 -8.210 0.505 1.00 0.00 H new ATOM 0 HG SER A 90 -28.642 -8.592 0.492 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.324 -7.993 3.485 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.171 -8.769 4.711 1.00 0.00 C ATOM 1405 C LEU A 91 -24.914 -7.856 5.905 1.00 0.00 C ATOM 1406 O LEU A 91 -25.675 -7.852 6.873 1.00 0.00 O ATOM 1407 CB LEU A 91 -24.025 -9.771 4.564 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.293 -10.968 3.651 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -23.079 -11.883 3.600 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.520 -11.734 4.121 1.00 0.00 C ATOM 0 H LEU A 91 -24.507 -8.003 2.875 1.00 0.00 H new ATOM 0 HA LEU A 91 -26.100 -9.312 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -23.151 -9.240 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -23.767 -10.146 5.555 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.485 -10.596 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.288 -12.729 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -22.222 -11.330 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -22.855 -12.247 4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.695 -12.582 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.357 -12.094 5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.388 -11.076 4.104 1.00 0.00 H new