USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 653 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 39 GLN : amide:sc= -6.96! C(o=-7.9!,f=-13!) USER MOD Set 1.2: A 59 TYR OH : rot -83:sc= -0.972! USER MOD Set 2.1: A 14 SER OG : rot 166:sc= 0.826 USER MOD Set 2.2: A 94 SER OG : rot 180:sc= 0.00788 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.244 F(o=-1.2,f=-0.24) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 101:sc= -1.03! USER MOD Single : A 35 ASN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 36 THR OG1 : rot 124:sc= -0.697 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 47 CYS SG : rot -101:sc= -1.44 USER MOD Single : A 48 SER OG : rot 111:sc= 0.103 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 160:sc= -0.0701 USER MOD Single : A 64 GLN : amide:sc= -0.0918 K(o=-0.092,f=-1.2) USER MOD Single : A 68 CYS SG : rot 16:sc= -2.23! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -100:sc= 0.0626 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 146:sc= -1.01 (180deg=-6.04!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -123:sc= -4.44! (180deg=-4.81!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 12 -0.819 15.170 -12.458 1.00 0.00 N ATOM 121 CA ARG A 12 -1.004 14.262 -13.578 1.00 0.00 C ATOM 122 C ARG A 12 -0.916 12.810 -13.104 1.00 0.00 C ATOM 123 O ARG A 12 0.170 12.313 -12.813 1.00 0.00 O ATOM 124 CB ARG A 12 0.048 14.502 -14.662 1.00 0.00 C ATOM 125 CG ARG A 12 -0.136 15.876 -15.310 1.00 0.00 C ATOM 126 CD ARG A 12 1.114 16.285 -16.092 1.00 0.00 C ATOM 127 NE ARG A 12 1.300 17.752 -16.016 1.00 0.00 N ATOM 128 CZ ARG A 12 2.197 18.433 -16.741 1.00 0.00 C ATOM 129 NH1 ARG A 12 2.996 17.785 -17.600 1.00 0.00 N ATOM 130 NH2 ARG A 12 2.296 19.763 -16.607 1.00 0.00 N ATOM 0 HA ARG A 12 -1.992 14.452 -13.999 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.045 14.431 -14.228 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.024 13.725 -15.423 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.997 15.854 -15.978 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.348 16.619 -14.541 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.989 15.777 -15.686 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.020 15.975 -17.133 1.00 0.00 H new ATOM 0 HE ARG A 12 0.708 18.276 -15.372 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.921 16.773 -17.702 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.679 18.304 -18.152 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.688 20.256 -15.953 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.979 20.282 -17.159 1.00 0.00 H new ATOM 144 N TRP A 13 -2.075 12.170 -13.042 1.00 0.00 N ATOM 145 CA TRP A 13 -2.143 10.785 -12.608 1.00 0.00 C ATOM 146 C TRP A 13 -2.398 9.916 -13.841 1.00 0.00 C ATOM 147 O TRP A 13 -2.996 10.373 -14.814 1.00 0.00 O ATOM 148 CB TRP A 13 -3.201 10.602 -11.518 1.00 0.00 C ATOM 149 CG TRP A 13 -2.800 11.179 -10.159 1.00 0.00 C ATOM 150 CD1 TRP A 13 -2.855 12.456 -9.756 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.277 10.443 -9.033 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.408 12.597 -8.458 1.00 0.00 N ATOM 153 CE2 TRP A 13 -2.045 11.334 -8.004 1.00 0.00 C ATOM 154 CE3 TRP A 13 -2.009 9.071 -8.888 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.535 10.950 -6.759 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -1.499 8.703 -7.637 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.260 9.587 -6.592 1.00 0.00 C ATOM 0 H TRP A 13 -2.974 12.585 -13.285 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.202 10.477 -12.153 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.128 11.075 -11.843 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.409 9.538 -11.403 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -3.205 13.272 -10.370 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.354 13.467 -7.929 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.183 8.357 -9.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.363 11.666 -5.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.276 7.659 -7.473 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.864 9.225 -5.655 1.00 0.00 H new ATOM 168 N SER A 14 -1.932 8.678 -13.760 1.00 0.00 N ATOM 169 CA SER A 14 -2.103 7.741 -14.857 1.00 0.00 C ATOM 170 C SER A 14 -3.492 7.103 -14.789 1.00 0.00 C ATOM 171 O SER A 14 -4.223 7.301 -13.820 1.00 0.00 O ATOM 172 CB SER A 14 -1.021 6.660 -14.832 1.00 0.00 C ATOM 173 OG SER A 14 -1.494 5.444 -14.258 1.00 0.00 O ATOM 0 H SER A 14 -1.436 8.302 -12.952 1.00 0.00 H new ATOM 0 HA SER A 14 -2.008 8.291 -15.794 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.674 6.471 -15.848 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.163 7.019 -14.264 1.00 0.00 H new ATOM 0 HG SER A 14 -0.864 4.721 -14.459 1.00 0.00 H new ATOM 179 N PRO A 15 -3.823 6.330 -15.858 1.00 0.00 N ATOM 180 CA PRO A 15 -5.111 5.662 -15.929 1.00 0.00 C ATOM 181 C PRO A 15 -5.152 4.449 -14.996 1.00 0.00 C ATOM 182 O PRO A 15 -4.128 3.809 -14.760 1.00 0.00 O ATOM 183 CB PRO A 15 -5.282 5.291 -17.393 1.00 0.00 C ATOM 184 CG PRO A 15 -3.891 5.347 -18.003 1.00 0.00 C ATOM 185 CD PRO A 15 -2.982 6.073 -17.024 1.00 0.00 C ATOM 0 HA PRO A 15 -5.932 6.296 -15.594 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.714 4.295 -17.496 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.957 5.984 -17.895 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.518 4.341 -18.196 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.915 5.868 -18.960 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.116 5.465 -16.762 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.602 7.001 -17.450 1.00 0.00 H new ATOM 193 N PRO A 16 -6.376 4.163 -14.479 1.00 0.00 N ATOM 194 CA PRO A 16 -6.564 3.039 -13.578 1.00 0.00 C ATOM 195 C PRO A 16 -6.538 1.713 -14.342 1.00 0.00 C ATOM 196 O PRO A 16 -7.200 1.572 -15.369 1.00 0.00 O ATOM 197 CB PRO A 16 -7.894 3.303 -12.891 1.00 0.00 C ATOM 198 CG PRO A 16 -8.620 4.314 -13.763 1.00 0.00 C ATOM 199 CD PRO A 16 -7.610 4.899 -14.738 1.00 0.00 C ATOM 0 HA PRO A 16 -5.763 2.950 -12.844 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.473 2.384 -12.794 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.743 3.693 -11.884 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.438 3.836 -14.302 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.059 5.101 -13.150 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.937 4.773 -15.770 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.475 5.968 -14.575 1.00 0.00 H new ATOM 207 N ARG A 17 -5.767 0.776 -13.811 1.00 0.00 N ATOM 208 CA ARG A 17 -5.646 -0.533 -14.430 1.00 0.00 C ATOM 209 C ARG A 17 -6.620 -1.519 -13.781 1.00 0.00 C ATOM 210 O ARG A 17 -7.218 -1.218 -12.749 1.00 0.00 O ATOM 211 CB ARG A 17 -4.221 -1.074 -14.300 1.00 0.00 C ATOM 212 CG ARG A 17 -3.775 -1.098 -12.837 1.00 0.00 C ATOM 213 CD ARG A 17 -2.484 -1.903 -12.670 1.00 0.00 C ATOM 214 NE ARG A 17 -1.310 -1.026 -12.882 1.00 0.00 N ATOM 215 CZ ARG A 17 -0.081 -1.473 -13.172 1.00 0.00 C ATOM 216 NH1 ARG A 17 0.143 -2.789 -13.288 1.00 0.00 N ATOM 217 NH2 ARG A 17 0.924 -0.604 -13.348 1.00 0.00 N ATOM 0 H ARG A 17 -5.220 0.897 -12.959 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.886 -0.423 -15.488 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.171 -2.080 -14.716 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.539 -0.455 -14.882 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.620 -0.079 -12.484 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.561 -1.533 -12.220 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.445 -2.342 -11.673 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.465 -2.728 -13.382 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.446 -0.018 -12.802 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.622 -3.450 -13.156 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.079 -3.130 -13.509 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.753 0.398 -13.261 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.860 -0.944 -13.569 1.00 0.00 H new ATOM 231 N GLY A 18 -6.749 -2.676 -14.413 1.00 0.00 N ATOM 232 CA GLY A 18 -7.640 -3.708 -13.911 1.00 0.00 C ATOM 233 C GLY A 18 -6.853 -4.941 -13.463 1.00 0.00 C ATOM 234 O GLY A 18 -6.372 -5.710 -14.294 1.00 0.00 O ATOM 0 H GLY A 18 -6.251 -2.922 -15.269 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.219 -3.318 -13.074 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.351 -3.989 -14.688 1.00 0.00 H new ATOM 238 N ILE A 19 -6.747 -5.092 -12.151 1.00 0.00 N ATOM 239 CA ILE A 19 -6.027 -6.219 -11.583 1.00 0.00 C ATOM 240 C ILE A 19 -7.029 -7.287 -11.140 1.00 0.00 C ATOM 241 O ILE A 19 -8.165 -6.971 -10.791 1.00 0.00 O ATOM 242 CB ILE A 19 -5.093 -5.750 -10.465 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.317 -4.500 -10.887 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.163 -6.879 -10.018 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.314 -4.088 -9.808 1.00 0.00 C ATOM 0 H ILE A 19 -7.148 -4.452 -11.465 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.383 -6.677 -12.333 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.702 -5.475 -9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.792 -4.692 -11.823 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.012 -3.682 -11.074 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.510 -6.519 -9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.757 -7.715 -9.649 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.558 -7.208 -10.863 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.776 -3.197 -10.133 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.845 -3.873 -8.881 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.606 -4.899 -9.641 1.00 0.00 H new ATOM 257 N HIS A 20 -6.570 -8.530 -11.167 1.00 0.00 N ATOM 258 CA HIS A 20 -7.412 -9.647 -10.773 1.00 0.00 C ATOM 259 C HIS A 20 -6.603 -10.620 -9.912 1.00 0.00 C ATOM 260 O HIS A 20 -5.698 -11.288 -10.408 1.00 0.00 O ATOM 261 CB HIS A 20 -8.035 -10.317 -11.999 1.00 0.00 C ATOM 262 CG HIS A 20 -7.324 -10.010 -13.295 1.00 0.00 C ATOM 263 ND1 HIS A 20 -5.993 -9.935 -13.585 1.00 0.00 N flip ATOM 264 CD2 HIS A 20 -7.997 -9.735 -14.472 1.00 0.00 C flip ATOM 265 CE1 HIS A 20 -5.861 -9.633 -14.871 1.00 0.00 C flip ATOM 266 NE2 HIS A 20 -7.102 -9.508 -15.423 1.00 0.00 N flip ATOM 0 H HIS A 20 -5.626 -8.788 -11.455 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.243 -9.285 -10.168 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.041 -11.396 -11.847 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.075 -10.001 -12.084 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -9.070 -9.710 -14.595 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.925 -9.507 -15.394 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -7.305 -9.280 -16.396 1.00 0.00 H new ATOM 274 N PHE A 21 -6.959 -10.667 -8.636 1.00 0.00 N ATOM 275 CA PHE A 21 -6.278 -11.547 -7.702 1.00 0.00 C ATOM 276 C PHE A 21 -7.169 -11.864 -6.499 1.00 0.00 C ATOM 277 O PHE A 21 -8.243 -11.285 -6.347 1.00 0.00 O ATOM 278 CB PHE A 21 -5.032 -10.805 -7.216 1.00 0.00 C ATOM 279 CG PHE A 21 -5.333 -9.605 -6.315 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.714 -8.421 -6.865 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.221 -9.723 -4.965 1.00 0.00 C ATOM 282 CE1 PHE A 21 -5.994 -7.307 -6.030 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.501 -8.609 -4.130 1.00 0.00 C ATOM 284 CZ PHE A 21 -5.881 -7.425 -4.679 1.00 0.00 C ATOM 0 H PHE A 21 -7.710 -10.110 -8.228 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.026 -12.487 -8.193 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.395 -11.503 -6.673 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.465 -10.463 -8.082 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.804 -8.328 -7.937 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.919 -10.663 -4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.296 -6.367 -6.467 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.412 -8.703 -3.058 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.093 -6.578 -4.043 1.00 0.00 H new ATOM 294 N THR A 22 -6.690 -12.785 -5.675 1.00 0.00 N ATOM 295 CA THR A 22 -7.430 -13.186 -4.490 1.00 0.00 C ATOM 296 C THR A 22 -6.706 -12.719 -3.226 1.00 0.00 C ATOM 297 O THR A 22 -5.521 -12.996 -3.046 1.00 0.00 O ATOM 298 CB THR A 22 -7.632 -14.702 -4.550 1.00 0.00 C ATOM 299 OG1 THR A 22 -8.779 -14.867 -5.378 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.057 -15.289 -3.203 1.00 0.00 C ATOM 0 H THR A 22 -5.799 -13.265 -5.804 1.00 0.00 H new ATOM 0 HA THR A 22 -8.412 -12.714 -4.457 1.00 0.00 H new ATOM 0 HB THR A 22 -6.708 -15.179 -4.879 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.980 -15.822 -5.472 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.187 -16.367 -3.300 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.289 -15.082 -2.457 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.998 -14.837 -2.890 1.00 0.00 H new ATOM 308 N VAL A 23 -7.449 -12.018 -2.382 1.00 0.00 N ATOM 309 CA VAL A 23 -6.894 -11.510 -1.139 1.00 0.00 C ATOM 310 C VAL A 23 -6.590 -12.682 -0.204 1.00 0.00 C ATOM 311 O VAL A 23 -7.073 -13.793 -0.419 1.00 0.00 O ATOM 312 CB VAL A 23 -7.845 -10.483 -0.522 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.496 -10.225 0.945 1.00 0.00 C ATOM 314 CG2 VAL A 23 -7.841 -9.180 -1.324 1.00 0.00 C ATOM 0 H VAL A 23 -8.431 -11.790 -2.535 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.954 -10.991 -1.325 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.853 -10.896 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.187 -9.491 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.575 -11.156 1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.477 -9.844 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.525 -8.467 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.834 -8.762 -1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.160 -9.381 -2.347 1.00 0.00 H new ATOM 324 N GLU A 24 -5.792 -12.395 0.813 1.00 0.00 N ATOM 325 CA GLU A 24 -5.419 -13.411 1.782 1.00 0.00 C ATOM 326 C GLU A 24 -5.675 -12.909 3.204 1.00 0.00 C ATOM 327 O GLU A 24 -4.785 -12.343 3.836 1.00 0.00 O ATOM 328 CB GLU A 24 -3.958 -13.829 1.603 1.00 0.00 C ATOM 329 CG GLU A 24 -3.782 -14.685 0.347 1.00 0.00 C ATOM 330 CD GLU A 24 -2.881 -15.889 0.625 1.00 0.00 C ATOM 331 OE1 GLU A 24 -3.419 -16.895 1.135 1.00 0.00 O ATOM 332 OE2 GLU A 24 -1.673 -15.776 0.321 1.00 0.00 O ATOM 0 H GLU A 24 -5.393 -11.473 0.987 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.038 -14.292 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.328 -12.942 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.626 -14.388 2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.756 -15.028 -0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.351 -14.081 -0.452 1.00 0.00 H new ATOM 339 N GLU A 25 -6.896 -13.134 3.666 1.00 0.00 N ATOM 340 CA GLU A 25 -7.281 -12.711 5.002 1.00 0.00 C ATOM 341 C GLU A 25 -6.552 -13.549 6.055 1.00 0.00 C ATOM 342 O GLU A 25 -7.186 -14.231 6.859 1.00 0.00 O ATOM 343 CB GLU A 25 -8.797 -12.795 5.189 1.00 0.00 C ATOM 344 CG GLU A 25 -9.343 -14.119 4.652 1.00 0.00 C ATOM 345 CD GLU A 25 -10.482 -14.640 5.532 1.00 0.00 C ATOM 346 OE1 GLU A 25 -11.490 -13.909 5.647 1.00 0.00 O ATOM 347 OE2 GLU A 25 -10.319 -15.756 6.070 1.00 0.00 O ATOM 0 H GLU A 25 -7.632 -13.604 3.139 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.990 -11.668 5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.042 -12.699 6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.277 -11.964 4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.701 -13.982 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.542 -14.857 4.613 1.00 0.00 H new ATOM 354 N GLY A 26 -5.230 -13.471 6.015 1.00 0.00 N ATOM 355 CA GLY A 26 -4.408 -14.214 6.956 1.00 0.00 C ATOM 356 C GLY A 26 -2.935 -13.824 6.824 1.00 0.00 C ATOM 357 O GLY A 26 -2.224 -13.723 7.822 1.00 0.00 O ATOM 0 H GLY A 26 -4.708 -12.905 5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.749 -14.021 7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.522 -15.283 6.779 1.00 0.00 H new ATOM 361 N ASP A 27 -2.520 -13.615 5.583 1.00 0.00 N ATOM 362 CA ASP A 27 -1.144 -13.238 5.307 1.00 0.00 C ATOM 363 C ASP A 27 -1.054 -12.648 3.899 1.00 0.00 C ATOM 364 O ASP A 27 -0.915 -13.382 2.922 1.00 0.00 O ATOM 365 CB ASP A 27 -0.217 -14.453 5.370 1.00 0.00 C ATOM 366 CG ASP A 27 1.272 -14.125 5.494 1.00 0.00 C ATOM 367 OD1 ASP A 27 1.684 -13.774 6.621 1.00 0.00 O ATOM 368 OD2 ASP A 27 1.965 -14.232 4.459 1.00 0.00 O ATOM 0 H ASP A 27 -3.113 -13.700 4.757 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.837 -12.510 6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.509 -15.070 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.368 -15.053 4.473 1.00 0.00 H new ATOM 373 N LEU A 28 -1.137 -11.327 3.839 1.00 0.00 N ATOM 374 CA LEU A 28 -1.067 -10.629 2.566 1.00 0.00 C ATOM 375 C LEU A 28 0.364 -10.699 2.030 1.00 0.00 C ATOM 376 O LEU A 28 1.322 -10.684 2.802 1.00 0.00 O ATOM 377 CB LEU A 28 -1.602 -9.203 2.707 1.00 0.00 C ATOM 378 CG LEU A 28 -3.101 -9.073 2.985 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.457 -7.650 3.422 1.00 0.00 C ATOM 380 CD2 LEU A 28 -3.924 -9.525 1.778 1.00 0.00 C ATOM 0 H LEU A 28 -1.252 -10.721 4.652 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.708 -11.114 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.059 -8.711 3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.374 -8.658 1.791 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.353 -9.736 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.528 -7.585 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.910 -7.401 4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.186 -6.949 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.986 -9.422 2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.674 -8.907 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.700 -10.568 1.555 1.00 0.00 H new ATOM 392 N GLY A 29 0.465 -10.773 0.711 1.00 0.00 N ATOM 393 CA GLY A 29 1.763 -10.845 0.062 1.00 0.00 C ATOM 394 C GLY A 29 2.322 -9.446 -0.203 1.00 0.00 C ATOM 395 O GLY A 29 3.290 -9.290 -0.947 1.00 0.00 O ATOM 0 H GLY A 29 -0.331 -10.785 0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.457 -11.405 0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.674 -11.389 -0.878 1.00 0.00 H new ATOM 399 N PHE A 30 1.688 -8.462 0.419 1.00 0.00 N ATOM 400 CA PHE A 30 2.110 -7.081 0.259 1.00 0.00 C ATOM 401 C PHE A 30 1.566 -6.208 1.392 1.00 0.00 C ATOM 402 O PHE A 30 0.536 -6.524 1.985 1.00 0.00 O ATOM 403 CB PHE A 30 1.534 -6.589 -1.070 1.00 0.00 C ATOM 404 CG PHE A 30 0.006 -6.640 -1.144 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.733 -5.606 -0.659 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.612 -7.719 -1.693 1.00 0.00 C ATOM 407 CE1 PHE A 30 -2.150 -5.654 -0.728 1.00 0.00 C ATOM 408 CE2 PHE A 30 -2.030 -7.767 -1.761 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.769 -6.733 -1.277 1.00 0.00 C ATOM 0 H PHE A 30 0.885 -8.594 1.034 1.00 0.00 H new ATOM 0 HA PHE A 30 3.198 -7.019 0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.861 -5.563 -1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.947 -7.192 -1.879 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.242 -4.749 -0.222 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.025 -8.540 -2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.737 -4.833 -0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.521 -8.624 -2.197 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.847 -6.769 -1.329 1.00 0.00 H new ATOM 419 N THR A 31 2.283 -5.126 1.658 1.00 0.00 N ATOM 420 CA THR A 31 1.886 -4.204 2.708 1.00 0.00 C ATOM 421 C THR A 31 1.492 -2.852 2.111 1.00 0.00 C ATOM 422 O THR A 31 1.595 -2.650 0.902 1.00 0.00 O ATOM 423 CB THR A 31 3.034 -4.112 3.715 1.00 0.00 C ATOM 424 OG1 THR A 31 3.069 -2.735 4.078 1.00 0.00 O ATOM 425 CG2 THR A 31 4.400 -4.362 3.072 1.00 0.00 C ATOM 0 H THR A 31 3.137 -4.867 1.164 1.00 0.00 H new ATOM 0 HA THR A 31 1.001 -4.562 3.234 1.00 0.00 H new ATOM 0 HB THR A 31 2.872 -4.834 4.515 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.630 -2.614 4.946 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.179 -4.285 3.831 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.418 -5.360 2.633 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.577 -3.620 2.294 1.00 0.00 H new ATOM 433 N LEU A 32 1.049 -1.961 2.986 1.00 0.00 N ATOM 434 CA LEU A 32 0.639 -0.634 2.560 1.00 0.00 C ATOM 435 C LEU A 32 1.337 0.414 3.429 1.00 0.00 C ATOM 436 O LEU A 32 1.640 0.159 4.593 1.00 0.00 O ATOM 437 CB LEU A 32 -0.887 -0.518 2.564 1.00 0.00 C ATOM 438 CG LEU A 32 -1.652 -1.716 1.999 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.135 -1.641 2.366 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.440 -1.841 0.489 1.00 0.00 C ATOM 0 H LEU A 32 0.965 -2.132 3.988 1.00 0.00 H new ATOM 0 HA LEU A 32 0.947 -0.452 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.216 -0.353 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.166 0.368 1.993 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.253 -2.622 2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.656 -2.504 1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.242 -1.638 3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.565 -0.727 1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.995 -2.701 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.795 -0.936 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.379 -1.975 0.280 1.00 0.00 H new ATOM 452 N ARG A 33 1.573 1.572 2.829 1.00 0.00 N ATOM 453 CA ARG A 33 2.231 2.659 3.533 1.00 0.00 C ATOM 454 C ARG A 33 1.690 4.007 3.052 1.00 0.00 C ATOM 455 O ARG A 33 1.025 4.080 2.019 1.00 0.00 O ATOM 456 CB ARG A 33 3.745 2.619 3.318 1.00 0.00 C ATOM 457 CG ARG A 33 4.095 2.834 1.844 1.00 0.00 C ATOM 458 CD ARG A 33 4.439 4.299 1.570 1.00 0.00 C ATOM 459 NE ARG A 33 5.524 4.386 0.567 1.00 0.00 N ATOM 460 CZ ARG A 33 6.048 5.537 0.125 1.00 0.00 C ATOM 461 NH1 ARG A 33 5.590 6.706 0.594 1.00 0.00 N ATOM 462 NH2 ARG A 33 7.030 5.520 -0.787 1.00 0.00 N ATOM 0 H ARG A 33 1.320 1.781 1.863 1.00 0.00 H new ATOM 0 HA ARG A 33 2.024 2.538 4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.223 3.388 3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.138 1.659 3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.940 2.201 1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.255 2.531 1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.556 4.827 1.209 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.747 4.788 2.494 1.00 0.00 H new ATOM 0 HE ARG A 33 5.896 3.515 0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.842 6.719 1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.989 7.582 0.257 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.378 4.631 -1.145 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.429 6.396 -1.123 1.00 0.00 H new ATOM 476 N GLY A 34 1.994 5.041 3.823 1.00 0.00 N ATOM 477 CA GLY A 34 1.547 6.382 3.488 1.00 0.00 C ATOM 478 C GLY A 34 0.166 6.664 4.084 1.00 0.00 C ATOM 479 O GLY A 34 -0.334 5.887 4.896 1.00 0.00 O ATOM 0 H GLY A 34 2.545 4.977 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.265 7.112 3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.510 6.497 2.405 1.00 0.00 H new ATOM 483 N ASN A 35 -0.411 7.778 3.658 1.00 0.00 N ATOM 484 CA ASN A 35 -1.723 8.173 4.140 1.00 0.00 C ATOM 485 C ASN A 35 -2.775 7.824 3.085 1.00 0.00 C ATOM 486 O ASN A 35 -3.606 6.942 3.300 1.00 0.00 O ATOM 487 CB ASN A 35 -1.788 9.681 4.391 1.00 0.00 C ATOM 488 CG ASN A 35 -1.759 9.990 5.889 1.00 0.00 C ATOM 489 OD1 ASN A 35 -0.840 9.629 6.606 1.00 0.00 O ATOM 490 ND2 ASN A 35 -2.814 10.675 6.320 1.00 0.00 N ATOM 0 H ASN A 35 0.007 8.420 2.984 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.912 7.644 5.074 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.948 10.172 3.899 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.698 10.088 3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.889 10.930 7.305 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.548 10.946 5.666 1.00 0.00 H new ATOM 497 N THR A 36 -2.705 8.533 1.968 1.00 0.00 N ATOM 498 CA THR A 36 -3.641 8.309 0.880 1.00 0.00 C ATOM 499 C THR A 36 -3.318 9.229 -0.299 1.00 0.00 C ATOM 500 O THR A 36 -2.982 10.396 -0.106 1.00 0.00 O ATOM 501 CB THR A 36 -5.057 8.497 1.427 1.00 0.00 C ATOM 502 OG1 THR A 36 -5.878 8.535 0.263 1.00 0.00 O ATOM 503 CG2 THR A 36 -5.259 9.871 2.070 1.00 0.00 C ATOM 0 H THR A 36 -2.014 9.263 1.793 1.00 0.00 H new ATOM 0 HA THR A 36 -3.560 7.294 0.492 1.00 0.00 H new ATOM 0 HB THR A 36 -5.268 7.718 2.160 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.571 7.845 0.329 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.280 9.952 2.442 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.561 9.991 2.898 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.080 10.650 1.329 1.00 0.00 H new ATOM 511 N PRO A 37 -3.435 8.653 -1.526 1.00 0.00 N ATOM 512 CA PRO A 37 -3.839 7.265 -1.666 1.00 0.00 C ATOM 513 C PRO A 37 -2.694 6.320 -1.294 1.00 0.00 C ATOM 514 O PRO A 37 -1.566 6.497 -1.750 1.00 0.00 O ATOM 515 CB PRO A 37 -4.276 7.126 -3.115 1.00 0.00 C ATOM 516 CG PRO A 37 -3.666 8.310 -3.849 1.00 0.00 C ATOM 517 CD PRO A 37 -3.186 9.307 -2.807 1.00 0.00 C ATOM 0 HA PRO A 37 -4.651 6.994 -0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.930 6.183 -3.539 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.363 7.133 -3.198 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.836 7.984 -4.476 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.402 8.771 -4.508 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.128 9.536 -2.936 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.728 10.250 -2.882 1.00 0.00 H new ATOM 525 N VAL A 38 -3.025 5.338 -0.468 1.00 0.00 N ATOM 526 CA VAL A 38 -2.038 4.366 -0.029 1.00 0.00 C ATOM 527 C VAL A 38 -1.287 3.823 -1.247 1.00 0.00 C ATOM 528 O VAL A 38 -1.860 3.695 -2.328 1.00 0.00 O ATOM 529 CB VAL A 38 -2.716 3.268 0.793 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.217 3.816 2.131 1.00 0.00 C ATOM 531 CG2 VAL A 38 -3.854 2.616 0.006 1.00 0.00 C ATOM 0 H VAL A 38 -3.962 5.195 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.302 4.836 0.624 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.972 2.499 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.695 3.016 2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.375 4.210 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.938 4.613 1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.318 1.839 0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.598 3.370 -0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.457 2.173 -0.908 1.00 0.00 H new ATOM 541 N GLN A 39 -0.016 3.518 -1.030 1.00 0.00 N ATOM 542 CA GLN A 39 0.820 2.992 -2.096 1.00 0.00 C ATOM 543 C GLN A 39 1.197 1.538 -1.807 1.00 0.00 C ATOM 544 O GLN A 39 1.596 1.207 -0.691 1.00 0.00 O ATOM 545 CB GLN A 39 2.069 3.854 -2.290 1.00 0.00 C ATOM 546 CG GLN A 39 1.709 5.212 -2.896 1.00 0.00 C ATOM 547 CD GLN A 39 2.969 6.000 -3.261 1.00 0.00 C ATOM 548 OE1 GLN A 39 3.715 5.646 -4.159 1.00 0.00 O ATOM 549 NE2 GLN A 39 3.162 7.086 -2.518 1.00 0.00 N ATOM 0 H GLN A 39 0.455 3.625 -0.132 1.00 0.00 H new ATOM 0 HA GLN A 39 0.251 3.021 -3.025 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.567 4.000 -1.331 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.775 3.337 -2.940 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.096 5.066 -3.786 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.111 5.784 -2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.498 7.325 -1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.974 7.680 -2.684 1.00 0.00 H new ATOM 558 N VAL A 40 1.056 0.708 -2.830 1.00 0.00 N ATOM 559 CA VAL A 40 1.377 -0.703 -2.700 1.00 0.00 C ATOM 560 C VAL A 40 2.892 -0.866 -2.562 1.00 0.00 C ATOM 561 O VAL A 40 3.643 -0.524 -3.475 1.00 0.00 O ATOM 562 CB VAL A 40 0.797 -1.483 -3.881 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.222 -2.952 -3.829 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.727 -1.354 -3.927 1.00 0.00 C ATOM 0 H VAL A 40 0.723 0.986 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 40 0.922 -1.117 -1.800 1.00 0.00 H new ATOM 0 HB VAL A 40 1.198 -1.051 -4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.796 -3.484 -4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.309 -3.018 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.863 -3.402 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.114 -1.918 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.154 -1.748 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.000 -0.304 -4.034 1.00 0.00 H new ATOM 574 N HIS A 41 3.297 -1.389 -1.414 1.00 0.00 N ATOM 575 CA HIS A 41 4.709 -1.602 -1.145 1.00 0.00 C ATOM 576 C HIS A 41 5.027 -3.096 -1.225 1.00 0.00 C ATOM 577 O HIS A 41 5.164 -3.761 -0.199 1.00 0.00 O ATOM 578 CB HIS A 41 5.106 -0.982 0.196 1.00 0.00 C ATOM 579 CG HIS A 41 6.590 -0.745 0.348 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.266 0.247 -0.342 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.520 -1.382 1.117 1.00 0.00 C ATOM 582 CE1 HIS A 41 8.544 0.200 0.004 1.00 0.00 C ATOM 583 NE2 HIS A 41 8.700 -0.810 0.907 1.00 0.00 N ATOM 0 H HIS A 41 2.672 -1.672 -0.659 1.00 0.00 H new ATOM 0 HA HIS A 41 5.308 -1.098 -1.904 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.583 -0.033 0.315 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.768 -1.635 1.001 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.329 -2.210 1.783 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.325 0.848 -0.365 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.579 -1.081 1.348 1.00 0.00 H new ATOM 591 N PHE A 42 5.135 -3.581 -2.453 1.00 0.00 N ATOM 592 CA PHE A 42 5.434 -4.985 -2.680 1.00 0.00 C ATOM 593 C PHE A 42 6.460 -5.498 -1.667 1.00 0.00 C ATOM 594 O PHE A 42 7.574 -4.981 -1.590 1.00 0.00 O ATOM 595 CB PHE A 42 6.026 -5.095 -4.087 1.00 0.00 C ATOM 596 CG PHE A 42 4.989 -5.371 -5.177 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.995 -6.272 -4.958 1.00 0.00 C ATOM 598 CD2 PHE A 42 5.063 -4.716 -6.367 1.00 0.00 C ATOM 599 CE1 PHE A 42 3.033 -6.529 -5.970 1.00 0.00 C ATOM 600 CE2 PHE A 42 4.101 -4.972 -7.379 1.00 0.00 C ATOM 601 CZ PHE A 42 3.106 -5.873 -7.160 1.00 0.00 C ATOM 0 H PHE A 42 5.021 -3.027 -3.302 1.00 0.00 H new ATOM 0 HA PHE A 42 4.527 -5.580 -2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.549 -4.169 -4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.769 -5.892 -4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.937 -6.793 -4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.854 -4.001 -6.542 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.243 -7.245 -5.795 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.159 -4.451 -8.323 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.374 -6.068 -7.930 1.00 0.00 H new ATOM 611 N LEU A 43 6.048 -6.508 -0.915 1.00 0.00 N ATOM 612 CA LEU A 43 6.917 -7.096 0.090 1.00 0.00 C ATOM 613 C LEU A 43 7.234 -8.541 -0.299 1.00 0.00 C ATOM 614 O LEU A 43 8.335 -9.028 -0.047 1.00 0.00 O ATOM 615 CB LEU A 43 6.298 -6.956 1.482 1.00 0.00 C ATOM 616 CG LEU A 43 6.016 -8.263 2.225 1.00 0.00 C ATOM 617 CD1 LEU A 43 7.298 -9.078 2.407 1.00 0.00 C ATOM 618 CD2 LEU A 43 5.313 -7.996 3.558 1.00 0.00 C ATOM 0 H LEU A 43 5.124 -6.934 -0.982 1.00 0.00 H new ATOM 0 HA LEU A 43 7.866 -6.561 0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.965 -6.349 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.362 -6.405 1.388 1.00 0.00 H new ATOM 0 HG LEU A 43 5.337 -8.861 1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.069 -10.002 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.720 -9.315 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.019 -8.498 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.124 -8.942 4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.947 -7.368 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.366 -7.487 3.375 1.00 0.00 H new ATOM 630 N ASP A 44 6.250 -9.186 -0.908 1.00 0.00 N ATOM 631 CA ASP A 44 6.410 -10.566 -1.334 1.00 0.00 C ATOM 632 C ASP A 44 6.327 -10.637 -2.860 1.00 0.00 C ATOM 633 O ASP A 44 5.423 -10.061 -3.464 1.00 0.00 O ATOM 634 CB ASP A 44 5.304 -11.453 -0.759 1.00 0.00 C ATOM 635 CG ASP A 44 5.792 -12.623 0.097 1.00 0.00 C ATOM 636 OD1 ASP A 44 7.025 -12.716 0.281 1.00 0.00 O ATOM 637 OD2 ASP A 44 4.922 -13.398 0.548 1.00 0.00 O ATOM 0 H ASP A 44 5.339 -8.778 -1.117 1.00 0.00 H new ATOM 0 HA ASP A 44 7.377 -10.919 -0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.639 -10.834 -0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.711 -11.848 -1.584 1.00 0.00 H new ATOM 642 N PRO A 45 7.308 -11.366 -3.456 1.00 0.00 N ATOM 643 CA PRO A 45 7.355 -11.519 -4.900 1.00 0.00 C ATOM 644 C PRO A 45 6.285 -12.501 -5.382 1.00 0.00 C ATOM 645 O PRO A 45 5.608 -12.247 -6.377 1.00 0.00 O ATOM 646 CB PRO A 45 8.769 -11.987 -5.201 1.00 0.00 C ATOM 647 CG PRO A 45 9.318 -12.524 -3.889 1.00 0.00 C ATOM 648 CD PRO A 45 8.396 -12.061 -2.774 1.00 0.00 C ATOM 0 HA PRO A 45 7.136 -10.591 -5.428 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.769 -12.760 -5.970 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.381 -11.166 -5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.370 -13.612 -3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.332 -12.160 -3.722 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.024 -12.904 -2.192 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.915 -11.400 -2.080 1.00 0.00 H new ATOM 656 N HIS A 46 6.165 -13.601 -4.654 1.00 0.00 N ATOM 657 CA HIS A 46 5.189 -14.622 -4.995 1.00 0.00 C ATOM 658 C HIS A 46 3.871 -14.333 -4.273 1.00 0.00 C ATOM 659 O HIS A 46 3.176 -15.255 -3.850 1.00 0.00 O ATOM 660 CB HIS A 46 5.736 -16.019 -4.693 1.00 0.00 C ATOM 661 CG HIS A 46 6.924 -16.409 -5.540 1.00 0.00 C ATOM 662 ND1 HIS A 46 8.201 -15.932 -5.305 1.00 0.00 N ATOM 663 CD2 HIS A 46 7.014 -17.236 -6.621 1.00 0.00 C ATOM 664 CE1 HIS A 46 9.016 -16.454 -6.211 1.00 0.00 C ATOM 665 NE2 HIS A 46 8.278 -17.261 -7.026 1.00 0.00 N ATOM 0 H HIS A 46 6.728 -13.808 -3.829 1.00 0.00 H new ATOM 0 HA HIS A 46 4.990 -14.597 -6.066 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.020 -16.067 -3.642 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.941 -16.750 -4.842 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.196 -17.778 -7.071 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.078 -16.272 -6.290 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.638 -17.796 -7.817 1.00 0.00 H new ATOM 673 N CYS A 47 3.568 -13.048 -4.155 1.00 0.00 N ATOM 674 CA CYS A 47 2.346 -12.626 -3.493 1.00 0.00 C ATOM 675 C CYS A 47 1.162 -12.986 -4.393 1.00 0.00 C ATOM 676 O CYS A 47 1.007 -14.140 -4.789 1.00 0.00 O ATOM 677 CB CYS A 47 2.372 -11.134 -3.154 1.00 0.00 C ATOM 678 SG CYS A 47 2.800 -10.161 -4.644 1.00 0.00 S ATOM 0 H CYS A 47 4.148 -12.286 -4.507 1.00 0.00 H new ATOM 0 HA CYS A 47 2.248 -13.146 -2.540 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.400 -10.822 -2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.099 -10.945 -2.365 1.00 0.00 H new ATOM 0 HG CYS A 47 4.053 -9.819 -4.594 1.00 0.00 H new ATOM 684 N SER A 48 0.357 -11.976 -4.690 1.00 0.00 N ATOM 685 CA SER A 48 -0.807 -12.171 -5.536 1.00 0.00 C ATOM 686 C SER A 48 -0.950 -10.999 -6.509 1.00 0.00 C ATOM 687 O SER A 48 -0.963 -11.193 -7.724 1.00 0.00 O ATOM 688 CB SER A 48 -2.078 -12.323 -4.698 1.00 0.00 C ATOM 689 OG SER A 48 -2.267 -11.224 -3.811 1.00 0.00 O ATOM 0 H SER A 48 0.489 -11.020 -4.359 1.00 0.00 H new ATOM 0 HA SER A 48 -0.666 -13.091 -6.104 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.940 -12.408 -5.359 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.025 -13.248 -4.123 1.00 0.00 H new ATOM 0 HG SER A 48 -3.034 -10.692 -4.109 1.00 0.00 H new ATOM 695 N ALA A 49 -1.054 -9.807 -5.939 1.00 0.00 N ATOM 696 CA ALA A 49 -1.195 -8.603 -6.740 1.00 0.00 C ATOM 697 C ALA A 49 -0.113 -8.586 -7.821 1.00 0.00 C ATOM 698 O ALA A 49 -0.376 -8.208 -8.962 1.00 0.00 O ATOM 699 CB ALA A 49 -1.131 -7.374 -5.831 1.00 0.00 C ATOM 0 H ALA A 49 -1.043 -9.650 -4.931 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.163 -8.587 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.237 -6.471 -6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.938 -7.420 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.172 -7.354 -5.312 1.00 0.00 H new ATOM 705 N SER A 50 1.082 -8.999 -7.424 1.00 0.00 N ATOM 706 CA SER A 50 2.205 -9.036 -8.345 1.00 0.00 C ATOM 707 C SER A 50 1.971 -10.104 -9.415 1.00 0.00 C ATOM 708 O SER A 50 2.259 -9.885 -10.590 1.00 0.00 O ATOM 709 CB SER A 50 3.517 -9.305 -7.604 1.00 0.00 C ATOM 710 OG SER A 50 4.655 -8.971 -8.394 1.00 0.00 O ATOM 0 H SER A 50 1.297 -9.311 -6.477 1.00 0.00 H new ATOM 0 HA SER A 50 2.284 -8.061 -8.826 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.536 -8.728 -6.679 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.566 -10.357 -7.324 1.00 0.00 H new ATOM 0 HG SER A 50 5.472 -9.156 -7.885 1.00 0.00 H new ATOM 716 N LEU A 51 1.449 -11.238 -8.969 1.00 0.00 N ATOM 717 CA LEU A 51 1.173 -12.341 -9.873 1.00 0.00 C ATOM 718 C LEU A 51 0.014 -11.959 -10.797 1.00 0.00 C ATOM 719 O LEU A 51 -0.185 -12.581 -11.839 1.00 0.00 O ATOM 720 CB LEU A 51 0.933 -13.631 -9.087 1.00 0.00 C ATOM 721 CG LEU A 51 2.033 -14.029 -8.100 1.00 0.00 C ATOM 722 CD1 LEU A 51 1.550 -15.133 -7.157 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.314 -14.424 -8.836 1.00 0.00 C ATOM 0 H LEU A 51 1.210 -11.416 -7.993 1.00 0.00 H new ATOM 0 HA LEU A 51 2.037 -12.538 -10.508 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.002 -13.529 -8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.797 -14.446 -9.798 1.00 0.00 H new ATOM 0 HG LEU A 51 2.270 -13.161 -7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.351 -15.397 -6.466 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.687 -14.779 -6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.268 -16.011 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.079 -14.702 -8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.111 -15.271 -9.492 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.667 -13.581 -9.430 1.00 0.00 H new ATOM 735 N ALA A 52 -0.721 -10.938 -10.380 1.00 0.00 N ATOM 736 CA ALA A 52 -1.855 -10.467 -11.157 1.00 0.00 C ATOM 737 C ALA A 52 -1.354 -9.566 -12.287 1.00 0.00 C ATOM 738 O ALA A 52 -1.651 -9.807 -13.456 1.00 0.00 O ATOM 739 CB ALA A 52 -2.843 -9.750 -10.235 1.00 0.00 C ATOM 0 H ALA A 52 -0.553 -10.424 -9.515 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.383 -11.305 -11.612 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.694 -9.397 -10.818 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.191 -10.441 -9.467 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.349 -8.901 -9.762 1.00 0.00 H new ATOM 745 N GLY A 53 -0.602 -8.546 -11.899 1.00 0.00 N ATOM 746 CA GLY A 53 -0.056 -7.608 -12.865 1.00 0.00 C ATOM 747 C GLY A 53 0.001 -6.194 -12.284 1.00 0.00 C ATOM 748 O GLY A 53 -0.375 -5.230 -12.949 1.00 0.00 O ATOM 0 H GLY A 53 -0.358 -8.349 -10.928 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.945 -7.925 -13.159 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.669 -7.610 -13.766 1.00 0.00 H new ATOM 752 N ALA A 54 0.474 -6.114 -11.049 1.00 0.00 N ATOM 753 CA ALA A 54 0.586 -4.834 -10.371 1.00 0.00 C ATOM 754 C ALA A 54 2.056 -4.417 -10.317 1.00 0.00 C ATOM 755 O ALA A 54 2.946 -5.232 -10.556 1.00 0.00 O ATOM 756 CB ALA A 54 -0.043 -4.937 -8.980 1.00 0.00 C ATOM 0 H ALA A 54 0.784 -6.916 -10.500 1.00 0.00 H new ATOM 0 HA ALA A 54 0.045 -4.061 -10.917 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.041 -3.977 -8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.095 -5.207 -9.075 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.476 -5.701 -8.401 1.00 0.00 H new ATOM 762 N LYS A 55 2.267 -3.147 -10.002 1.00 0.00 N ATOM 763 CA LYS A 55 3.615 -2.612 -9.914 1.00 0.00 C ATOM 764 C LYS A 55 3.837 -2.029 -8.517 1.00 0.00 C ATOM 765 O LYS A 55 2.973 -2.142 -7.648 1.00 0.00 O ATOM 766 CB LYS A 55 3.870 -1.613 -11.044 1.00 0.00 C ATOM 767 CG LYS A 55 4.075 -2.334 -12.378 1.00 0.00 C ATOM 768 CD LYS A 55 4.818 -1.443 -13.375 1.00 0.00 C ATOM 769 CE LYS A 55 4.119 -1.440 -14.735 1.00 0.00 C ATOM 770 NZ LYS A 55 5.071 -1.803 -15.809 1.00 0.00 N ATOM 0 H LYS A 55 1.527 -2.473 -9.805 1.00 0.00 H new ATOM 0 HA LYS A 55 4.349 -3.406 -10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.028 -0.926 -11.124 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.750 -1.013 -10.812 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.639 -3.253 -12.216 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.109 -2.622 -12.792 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.873 -0.425 -12.988 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.843 -1.796 -13.490 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.288 -2.145 -14.725 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.698 -0.454 -14.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.580 -1.796 -16.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.851 -1.115 -15.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.453 -2.753 -15.628 1.00 0.00 H new ATOM 784 N GLU A 56 5.000 -1.418 -8.343 1.00 0.00 N ATOM 785 CA GLU A 56 5.346 -0.818 -7.066 1.00 0.00 C ATOM 786 C GLU A 56 4.881 0.639 -7.021 1.00 0.00 C ATOM 787 O GLU A 56 4.863 1.321 -8.045 1.00 0.00 O ATOM 788 CB GLU A 56 6.850 -0.922 -6.801 1.00 0.00 C ATOM 789 CG GLU A 56 7.139 -0.985 -5.300 1.00 0.00 C ATOM 790 CD GLU A 56 7.972 0.217 -4.851 1.00 0.00 C ATOM 791 OE1 GLU A 56 9.193 0.192 -5.116 1.00 0.00 O ATOM 792 OE2 GLU A 56 7.369 1.134 -4.252 1.00 0.00 O ATOM 0 H GLU A 56 5.714 -1.326 -9.065 1.00 0.00 H new ATOM 0 HA GLU A 56 4.832 -1.368 -6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.248 -1.811 -7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.360 -0.063 -7.237 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.201 -1.009 -4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.670 -1.908 -5.067 1.00 0.00 H new ATOM 799 N GLY A 57 4.516 1.074 -5.824 1.00 0.00 N ATOM 800 CA GLY A 57 4.052 2.437 -5.632 1.00 0.00 C ATOM 801 C GLY A 57 2.648 2.625 -6.210 1.00 0.00 C ATOM 802 O GLY A 57 2.198 3.753 -6.402 1.00 0.00 O ATOM 0 H GLY A 57 4.532 0.506 -4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.046 2.677 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.742 3.131 -6.111 1.00 0.00 H new ATOM 806 N ASP A 58 1.996 1.502 -6.472 1.00 0.00 N ATOM 807 CA ASP A 58 0.652 1.529 -7.024 1.00 0.00 C ATOM 808 C ASP A 58 -0.299 2.170 -6.011 1.00 0.00 C ATOM 809 O ASP A 58 -0.348 1.758 -4.854 1.00 0.00 O ATOM 810 CB ASP A 58 0.148 0.114 -7.315 1.00 0.00 C ATOM 811 CG ASP A 58 0.951 -0.656 -8.365 1.00 0.00 C ATOM 812 OD1 ASP A 58 1.999 -0.119 -8.784 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.499 -1.764 -8.726 1.00 0.00 O ATOM 0 H ASP A 58 2.373 0.568 -6.312 1.00 0.00 H new ATOM 0 HA ASP A 58 0.680 2.100 -7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.154 -0.456 -6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.889 0.175 -7.645 1.00 0.00 H new ATOM 818 N TYR A 59 -1.029 3.169 -6.484 1.00 0.00 N ATOM 819 CA TYR A 59 -1.976 3.872 -5.634 1.00 0.00 C ATOM 820 C TYR A 59 -3.399 3.358 -5.857 1.00 0.00 C ATOM 821 O TYR A 59 -4.009 3.634 -6.890 1.00 0.00 O ATOM 822 CB TYR A 59 -1.906 5.342 -6.052 1.00 0.00 C ATOM 823 CG TYR A 59 -0.504 5.949 -5.962 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.429 5.678 -6.943 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.172 6.766 -4.901 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.748 6.249 -6.858 1.00 0.00 C ATOM 827 CE2 TYR A 59 1.147 7.337 -4.817 1.00 0.00 C ATOM 828 CZ TYR A 59 2.042 7.050 -5.799 1.00 0.00 C ATOM 829 OH TYR A 59 3.288 7.589 -5.720 1.00 0.00 O ATOM 0 H TYR A 59 -0.984 3.509 -7.445 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.731 3.724 -4.582 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.266 5.435 -7.077 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.582 5.921 -5.423 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.170 5.038 -7.774 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.902 6.977 -4.133 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.488 6.046 -7.618 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.419 7.979 -3.992 1.00 0.00 H new ATOM 0 HH TYR A 59 3.903 6.936 -5.326 1.00 0.00 H new ATOM 839 N ILE A 60 -3.889 2.619 -4.872 1.00 0.00 N ATOM 840 CA ILE A 60 -5.229 2.064 -4.948 1.00 0.00 C ATOM 841 C ILE A 60 -6.243 3.204 -5.068 1.00 0.00 C ATOM 842 O ILE A 60 -6.216 4.149 -4.282 1.00 0.00 O ATOM 843 CB ILE A 60 -5.491 1.132 -3.763 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.416 0.047 -3.671 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.899 0.539 -3.832 1.00 0.00 C ATOM 846 CD1 ILE A 60 -4.298 -0.489 -2.243 1.00 0.00 C ATOM 0 H ILE A 60 -3.381 2.392 -4.017 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.335 1.447 -5.840 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.434 1.720 -2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.660 -0.770 -4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.456 0.453 -3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.059 -0.119 -2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.634 1.344 -3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.009 -0.030 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.527 -1.259 -2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.031 0.325 -1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.252 -0.916 -1.935 1.00 0.00 H new ATOM 858 N VAL A 61 -7.113 3.077 -6.060 1.00 0.00 N ATOM 859 CA VAL A 61 -8.133 4.085 -6.294 1.00 0.00 C ATOM 860 C VAL A 61 -9.511 3.484 -6.011 1.00 0.00 C ATOM 861 O VAL A 61 -10.413 4.181 -5.548 1.00 0.00 O ATOM 862 CB VAL A 61 -8.003 4.642 -7.713 1.00 0.00 C ATOM 863 CG1 VAL A 61 -6.783 5.558 -7.833 1.00 0.00 C ATOM 864 CG2 VAL A 61 -7.942 3.511 -8.742 1.00 0.00 C ATOM 0 H VAL A 61 -7.132 2.292 -6.710 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.000 4.928 -5.616 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.891 5.238 -7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.714 5.940 -8.851 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.884 6.392 -7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.881 4.995 -7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.850 3.934 -9.742 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.080 2.877 -8.535 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.853 2.915 -8.682 1.00 0.00 H new ATOM 874 N SER A 62 -9.631 2.197 -6.301 1.00 0.00 N ATOM 875 CA SER A 62 -10.884 1.495 -6.084 1.00 0.00 C ATOM 876 C SER A 62 -10.609 0.051 -5.659 1.00 0.00 C ATOM 877 O SER A 62 -9.476 -0.420 -5.748 1.00 0.00 O ATOM 878 CB SER A 62 -11.756 1.521 -7.341 1.00 0.00 C ATOM 879 OG SER A 62 -11.546 0.375 -8.160 1.00 0.00 O ATOM 0 H SER A 62 -8.881 1.622 -6.684 1.00 0.00 H new ATOM 0 HA SER A 62 -11.427 2.004 -5.288 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.806 1.573 -7.053 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.538 2.422 -7.915 1.00 0.00 H new ATOM 0 HG SER A 62 -12.312 0.256 -8.759 1.00 0.00 H new ATOM 885 N ILE A 63 -11.663 -0.611 -5.207 1.00 0.00 N ATOM 886 CA ILE A 63 -11.549 -1.992 -4.769 1.00 0.00 C ATOM 887 C ILE A 63 -12.914 -2.673 -4.883 1.00 0.00 C ATOM 888 O ILE A 63 -13.736 -2.582 -3.973 1.00 0.00 O ATOM 889 CB ILE A 63 -10.943 -2.060 -3.366 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.531 -1.471 -3.349 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.974 -3.491 -2.824 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.818 -1.794 -2.034 1.00 0.00 C ATOM 0 H ILE A 63 -12.601 -0.217 -5.134 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.864 -2.541 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.554 -1.450 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.957 -1.869 -4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.582 -0.391 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.537 -3.511 -1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -12.006 -3.840 -2.776 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.401 -4.142 -3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.817 -1.364 -2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.382 -1.373 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.747 -2.875 -1.915 1.00 0.00 H new ATOM 904 N GLN A 64 -13.113 -3.342 -6.010 1.00 0.00 N ATOM 905 CA GLN A 64 -14.365 -4.038 -6.255 1.00 0.00 C ATOM 906 C GLN A 64 -15.495 -3.034 -6.488 1.00 0.00 C ATOM 907 O GLN A 64 -16.639 -3.283 -6.113 1.00 0.00 O ATOM 908 CB GLN A 64 -14.701 -4.984 -5.100 1.00 0.00 C ATOM 909 CG GLN A 64 -14.460 -6.442 -5.497 1.00 0.00 C ATOM 910 CD GLN A 64 -15.756 -7.103 -5.970 1.00 0.00 C ATOM 911 OE1 GLN A 64 -16.754 -6.453 -6.235 1.00 0.00 O ATOM 912 NE2 GLN A 64 -15.686 -8.428 -6.062 1.00 0.00 N ATOM 0 H GLN A 64 -12.429 -3.417 -6.763 1.00 0.00 H new ATOM 0 HA GLN A 64 -14.252 -4.642 -7.155 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.091 -4.734 -4.232 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.742 -4.851 -4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.714 -6.488 -6.290 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.056 -6.992 -4.647 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.819 -8.911 -5.825 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.499 -8.962 -6.370 1.00 0.00 H new ATOM 921 N GLY A 65 -15.134 -1.919 -7.107 1.00 0.00 N ATOM 922 CA GLY A 65 -16.104 -0.876 -7.394 1.00 0.00 C ATOM 923 C GLY A 65 -16.347 0.001 -6.164 1.00 0.00 C ATOM 924 O GLY A 65 -17.422 0.579 -6.012 1.00 0.00 O ATOM 0 H GLY A 65 -14.184 -1.716 -7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.747 -0.260 -8.219 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -17.043 -1.326 -7.715 1.00 0.00 H new ATOM 928 N VAL A 66 -15.330 0.073 -5.318 1.00 0.00 N ATOM 929 CA VAL A 66 -15.419 0.870 -4.107 1.00 0.00 C ATOM 930 C VAL A 66 -14.469 2.064 -4.215 1.00 0.00 C ATOM 931 O VAL A 66 -13.566 2.070 -5.051 1.00 0.00 O ATOM 932 CB VAL A 66 -15.141 -0.005 -2.883 1.00 0.00 C ATOM 933 CG1 VAL A 66 -15.145 0.829 -1.600 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.146 -1.155 -2.792 1.00 0.00 C ATOM 0 H VAL A 66 -14.440 -0.408 -5.448 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.427 1.267 -3.985 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.147 -0.437 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -14.945 0.183 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.374 1.597 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.119 1.302 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.926 -1.762 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.155 -0.751 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.074 -1.773 -3.687 1.00 0.00 H new ATOM 944 N ASP A 67 -14.704 3.047 -3.359 1.00 0.00 N ATOM 945 CA ASP A 67 -13.881 4.244 -3.348 1.00 0.00 C ATOM 946 C ASP A 67 -12.706 4.041 -2.389 1.00 0.00 C ATOM 947 O ASP A 67 -12.904 3.830 -1.194 1.00 0.00 O ATOM 948 CB ASP A 67 -14.679 5.458 -2.867 1.00 0.00 C ATOM 949 CG ASP A 67 -14.303 6.784 -3.531 1.00 0.00 C ATOM 950 OD1 ASP A 67 -14.802 7.017 -4.653 1.00 0.00 O ATOM 951 OD2 ASP A 67 -13.526 7.534 -2.902 1.00 0.00 O ATOM 0 H ASP A 67 -15.454 3.039 -2.667 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.532 4.422 -4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.738 5.270 -3.041 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.546 5.558 -1.790 1.00 0.00 H new ATOM 956 N CYS A 68 -11.507 4.111 -2.950 1.00 0.00 N ATOM 957 CA CYS A 68 -10.300 3.937 -2.160 1.00 0.00 C ATOM 958 C CYS A 68 -9.268 4.966 -2.627 1.00 0.00 C ATOM 959 O CYS A 68 -8.126 4.616 -2.920 1.00 0.00 O ATOM 960 CB CYS A 68 -9.764 2.507 -2.254 1.00 0.00 C ATOM 961 SG CYS A 68 -10.817 1.378 -1.272 1.00 0.00 S ATOM 0 H CYS A 68 -11.346 4.286 -3.942 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.525 4.102 -1.106 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.744 2.185 -3.295 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.738 2.470 -1.889 1.00 0.00 H new ATOM 0 HG CYS A 68 -11.948 1.961 -1.006 1.00 0.00 H new ATOM 967 N LYS A 69 -9.708 6.214 -2.682 1.00 0.00 N ATOM 968 CA LYS A 69 -8.836 7.296 -3.108 1.00 0.00 C ATOM 969 C LYS A 69 -8.551 8.215 -1.918 1.00 0.00 C ATOM 970 O LYS A 69 -7.457 8.765 -1.802 1.00 0.00 O ATOM 971 CB LYS A 69 -9.434 8.022 -4.315 1.00 0.00 C ATOM 972 CG LYS A 69 -8.355 8.341 -5.353 1.00 0.00 C ATOM 973 CD LYS A 69 -8.562 9.735 -5.948 1.00 0.00 C ATOM 974 CE LYS A 69 -9.666 9.720 -7.007 1.00 0.00 C ATOM 975 NZ LYS A 69 -9.087 9.866 -8.361 1.00 0.00 N ATOM 0 H LYS A 69 -10.656 6.500 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.877 6.902 -3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.209 7.404 -4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.913 8.945 -3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.370 8.282 -4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.378 7.595 -6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.822 10.437 -5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.631 10.086 -6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.227 8.787 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.371 10.529 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.850 9.854 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.572 10.767 -8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.432 9.080 -8.545 1.00 0.00 H new ATOM 989 N TRP A 70 -9.555 8.352 -1.064 1.00 0.00 N ATOM 990 CA TRP A 70 -9.426 9.195 0.113 1.00 0.00 C ATOM 991 C TRP A 70 -9.175 8.287 1.319 1.00 0.00 C ATOM 992 O TRP A 70 -8.624 8.726 2.327 1.00 0.00 O ATOM 993 CB TRP A 70 -10.654 10.090 0.283 1.00 0.00 C ATOM 994 CG TRP A 70 -11.091 10.799 -1.000 1.00 0.00 C ATOM 995 CD1 TRP A 70 -11.910 10.342 -1.957 1.00 0.00 C ATOM 996 CD2 TRP A 70 -10.696 12.119 -1.431 1.00 0.00 C ATOM 997 NE1 TRP A 70 -12.072 11.266 -2.969 1.00 0.00 N ATOM 998 CE2 TRP A 70 -11.310 12.381 -2.639 1.00 0.00 C ATOM 999 CE3 TRP A 70 -9.849 13.059 -0.820 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -11.141 13.581 -3.340 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -9.691 14.254 -1.533 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -10.301 14.533 -2.750 1.00 0.00 C ATOM 0 H TRP A 70 -10.461 7.894 -1.164 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.582 9.877 0.009 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.483 9.486 0.652 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.442 10.839 1.046 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.384 9.372 -1.939 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -12.645 11.152 -3.805 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.359 12.875 0.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -11.632 13.762 -4.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.050 15.012 -1.107 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.128 15.480 -3.239 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.593 7.038 1.176 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.421 6.065 2.241 1.00 0.00 C ATOM 1015 C LEU A 71 -7.947 6.016 2.648 1.00 0.00 C ATOM 1016 O LEU A 71 -7.072 6.399 1.872 1.00 0.00 O ATOM 1017 CB LEU A 71 -9.990 4.707 1.823 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.493 4.667 1.543 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -12.019 3.231 1.576 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.255 5.579 2.506 1.00 0.00 C ATOM 0 H LEU A 71 -10.050 6.677 0.339 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.986 6.363 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.465 4.376 0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.768 3.985 2.609 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.663 5.049 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.090 3.231 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.507 2.638 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.836 2.799 2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.321 5.532 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.082 5.251 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.905 6.605 2.389 1.00 0.00 H new ATOM 1032 N THR A 72 -7.717 5.540 3.863 1.00 0.00 N ATOM 1033 CA THR A 72 -6.364 5.436 4.382 1.00 0.00 C ATOM 1034 C THR A 72 -5.881 3.985 4.323 1.00 0.00 C ATOM 1035 O THR A 72 -6.412 3.180 3.559 1.00 0.00 O ATOM 1036 CB THR A 72 -6.353 6.023 5.794 1.00 0.00 C ATOM 1037 OG1 THR A 72 -6.876 4.977 6.609 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.358 7.165 5.962 1.00 0.00 C ATOM 0 H THR A 72 -8.445 5.222 4.503 1.00 0.00 H new ATOM 0 HA THR A 72 -5.661 6.005 3.773 1.00 0.00 H new ATOM 0 HB THR A 72 -5.352 6.384 6.029 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.823 5.149 6.794 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.309 7.546 6.982 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.118 7.967 5.264 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.364 6.797 5.760 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.878 3.696 5.139 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.317 2.356 5.189 1.00 0.00 C ATOM 1048 C VAL A 73 -5.307 1.419 5.884 1.00 0.00 C ATOM 1049 O VAL A 73 -5.649 0.365 5.350 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.946 2.388 5.869 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.390 0.974 6.046 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -1.968 3.268 5.088 1.00 0.00 C ATOM 0 H VAL A 73 -4.439 4.366 5.771 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.157 1.971 4.182 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.072 2.825 6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.415 1.024 6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.073 0.389 6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.285 0.499 5.070 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.002 3.274 5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.849 2.873 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.356 4.285 5.036 1.00 0.00 H new ATOM 1062 N SER A 74 -5.739 1.837 7.065 1.00 0.00 N ATOM 1063 CA SER A 74 -6.683 1.048 7.839 1.00 0.00 C ATOM 1064 C SER A 74 -7.908 0.713 6.986 1.00 0.00 C ATOM 1065 O SER A 74 -8.217 -0.457 6.769 1.00 0.00 O ATOM 1066 CB SER A 74 -7.107 1.787 9.109 1.00 0.00 C ATOM 1067 OG SER A 74 -7.326 0.895 10.198 1.00 0.00 O ATOM 0 H SER A 74 -5.453 2.712 7.505 1.00 0.00 H new ATOM 0 HA SER A 74 -6.191 0.122 8.137 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.338 2.510 9.382 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.019 2.351 8.913 1.00 0.00 H new ATOM 0 HG SER A 74 -7.593 1.406 10.990 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.573 1.763 6.525 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.758 1.595 5.700 1.00 0.00 C ATOM 1075 C GLU A 75 -9.506 0.542 4.618 1.00 0.00 C ATOM 1076 O GLU A 75 -10.049 -0.560 4.681 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.188 2.926 5.081 1.00 0.00 C ATOM 1078 CG GLU A 75 -11.117 3.694 6.023 1.00 0.00 C ATOM 1079 CD GLU A 75 -10.490 5.022 6.450 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -10.608 5.985 5.661 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -9.907 5.045 7.555 1.00 0.00 O ATOM 0 H GLU A 75 -8.314 2.733 6.707 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.573 1.248 6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.308 3.530 4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.695 2.744 4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.070 3.880 5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.329 3.088 6.904 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.684 0.920 3.651 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.354 0.023 2.556 1.00 0.00 C ATOM 1090 C VAL A 76 -8.148 -1.390 3.105 1.00 0.00 C ATOM 1091 O VAL A 76 -8.877 -2.313 2.744 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.136 0.551 1.795 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.594 -0.504 0.829 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.472 1.849 1.058 1.00 0.00 C ATOM 0 H VAL A 76 -8.236 1.835 3.602 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.174 -0.022 1.839 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.355 0.771 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.729 -0.103 0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.299 -1.392 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.368 -0.770 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.590 2.204 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.277 1.665 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.789 2.604 1.777 1.00 0.00 H new ATOM 1104 N MET A 77 -7.151 -1.516 3.969 1.00 0.00 N ATOM 1105 CA MET A 77 -6.841 -2.801 4.572 1.00 0.00 C ATOM 1106 C MET A 77 -8.118 -3.586 4.879 1.00 0.00 C ATOM 1107 O MET A 77 -8.282 -4.716 4.421 1.00 0.00 O ATOM 1108 CB MET A 77 -6.053 -2.582 5.865 1.00 0.00 C ATOM 1109 CG MET A 77 -4.558 -2.819 5.643 1.00 0.00 C ATOM 1110 SD MET A 77 -4.266 -4.532 5.235 1.00 0.00 S ATOM 1111 CE MET A 77 -2.906 -4.351 4.093 1.00 0.00 C ATOM 0 H MET A 77 -6.548 -0.749 4.266 1.00 0.00 H new ATOM 0 HA MET A 77 -6.244 -3.377 3.865 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.214 -1.566 6.226 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.421 -3.257 6.638 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.195 -2.178 4.839 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.001 -2.550 6.541 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.230 -5.200 4.195 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.290 -4.313 3.073 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.367 -3.429 4.312 1.00 0.00 H new ATOM 1121 N LYS A 78 -8.990 -2.956 5.652 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.247 -3.581 6.026 1.00 0.00 C ATOM 1123 C LYS A 78 -11.083 -3.827 4.768 1.00 0.00 C ATOM 1124 O LYS A 78 -11.733 -4.863 4.643 1.00 0.00 O ATOM 1125 CB LYS A 78 -10.965 -2.747 7.089 1.00 0.00 C ATOM 1126 CG LYS A 78 -10.490 -3.123 8.494 1.00 0.00 C ATOM 1127 CD LYS A 78 -10.613 -1.936 9.450 1.00 0.00 C ATOM 1128 CE LYS A 78 -10.968 -2.404 10.863 1.00 0.00 C ATOM 1129 NZ LYS A 78 -11.164 -1.243 11.760 1.00 0.00 N ATOM 0 H LYS A 78 -8.851 -2.019 6.030 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.068 -4.553 6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.781 -1.688 6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.041 -2.901 7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.080 -3.959 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.453 -3.456 8.454 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.674 -1.383 9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.379 -1.250 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.876 -3.007 10.835 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.174 -3.041 11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.404 -1.579 12.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.288 -0.683 11.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.937 -0.650 11.397 1.00 0.00 H new ATOM 1143 N LEU A 79 -11.039 -2.855 3.868 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.784 -2.952 2.625 1.00 0.00 C ATOM 1145 C LEU A 79 -11.304 -4.176 1.842 1.00 0.00 C ATOM 1146 O LEU A 79 -12.082 -4.802 1.123 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.689 -1.643 1.839 1.00 0.00 C ATOM 1148 CG LEU A 79 -12.974 -1.178 1.152 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.195 0.322 1.360 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -12.972 -1.556 -0.330 1.00 0.00 C ATOM 0 H LEU A 79 -10.499 -1.997 3.976 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.845 -3.098 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.359 -0.857 2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.914 -1.754 1.080 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.814 -1.695 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.115 0.627 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.273 0.534 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.355 0.875 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -13.897 -1.214 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.122 -1.085 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.896 -2.639 -0.429 1.00 0.00 H new ATOM 1162 N LEU A 80 -10.026 -4.481 2.008 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.433 -5.619 1.326 1.00 0.00 C ATOM 1164 C LEU A 80 -9.711 -6.891 2.129 1.00 0.00 C ATOM 1165 O LEU A 80 -10.112 -7.909 1.567 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.946 -5.371 1.063 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.579 -4.945 -0.360 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -6.091 -4.602 -0.463 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.992 -6.012 -1.375 1.00 0.00 C ATOM 0 H LEU A 80 -9.384 -3.960 2.605 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.889 -5.755 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.599 -4.601 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.398 -6.283 1.301 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.136 -4.039 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.857 -4.302 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.858 -3.783 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.497 -5.476 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.720 -5.684 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.481 -6.948 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.070 -6.165 -1.323 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.487 -6.792 3.431 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.709 -7.922 4.317 1.00 0.00 C ATOM 1183 C LYS A 81 -11.116 -8.478 4.085 1.00 0.00 C ATOM 1184 O LYS A 81 -11.285 -9.677 3.867 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.436 -7.526 5.769 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.956 -7.700 6.116 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.533 -6.728 7.219 1.00 0.00 C ATOM 1188 CE LYS A 81 -6.010 -6.610 7.292 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.507 -7.169 8.567 1.00 0.00 N ATOM 0 H LYS A 81 -9.154 -5.946 3.894 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.007 -8.725 4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.731 -6.489 5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.044 -8.137 6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.773 -8.725 6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.348 -7.533 5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.969 -5.747 7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.921 -7.070 8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.558 -7.139 6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.716 -5.564 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.471 -7.081 8.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.925 -6.647 9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.771 -8.173 8.634 1.00 0.00 H new ATOM 1203 N SER A 82 -12.089 -7.580 4.140 1.00 0.00 N ATOM 1204 CA SER A 82 -13.475 -7.966 3.938 1.00 0.00 C ATOM 1205 C SER A 82 -13.582 -8.937 2.761 1.00 0.00 C ATOM 1206 O SER A 82 -14.301 -9.932 2.836 1.00 0.00 O ATOM 1207 CB SER A 82 -14.358 -6.740 3.698 1.00 0.00 C ATOM 1208 OG SER A 82 -15.732 -7.092 3.553 1.00 0.00 O ATOM 0 H SER A 82 -11.945 -6.587 4.321 1.00 0.00 H new ATOM 0 HA SER A 82 -13.827 -8.462 4.842 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.248 -6.045 4.530 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.020 -6.220 2.802 1.00 0.00 H new ATOM 0 HG SER A 82 -16.263 -6.282 3.403 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.857 -8.614 1.701 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.862 -9.445 0.509 1.00 0.00 C ATOM 1216 C PHE A 83 -11.752 -10.497 0.570 1.00 0.00 C ATOM 1217 O PHE A 83 -11.103 -10.778 -0.436 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.606 -8.520 -0.683 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.607 -7.369 -0.803 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.934 -7.599 -0.615 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.169 -6.115 -1.097 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.863 -6.531 -0.726 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -14.098 -5.047 -1.209 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.425 -5.277 -1.021 1.00 0.00 C ATOM 0 H PHE A 83 -12.262 -7.788 1.642 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.816 -9.966 0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.601 -8.107 -0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.634 -9.109 -1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.281 -8.594 -0.381 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.115 -5.932 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.917 -6.714 -0.576 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.751 -4.052 -1.444 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.131 -4.464 -1.106 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.569 -11.049 1.760 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.550 -12.064 1.965 1.00 0.00 C ATOM 1236 C GLY A 84 -10.959 -13.391 1.323 1.00 0.00 C ATOM 1237 O GLY A 84 -12.058 -13.889 1.564 1.00 0.00 O ATOM 0 H GLY A 84 -12.109 -10.813 2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.605 -11.726 1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.385 -12.208 3.033 1.00 0.00 H new ATOM 1241 N GLY A 85 -10.053 -13.925 0.517 1.00 0.00 N ATOM 1242 CA GLY A 85 -10.306 -15.184 -0.163 1.00 0.00 C ATOM 1243 C GLY A 85 -11.333 -15.006 -1.283 1.00 0.00 C ATOM 1244 O GLY A 85 -11.933 -15.978 -1.740 1.00 0.00 O ATOM 0 H GLY A 85 -9.143 -13.509 0.320 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.375 -15.571 -0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.668 -15.922 0.553 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.504 -13.758 -1.693 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.447 -13.440 -2.751 1.00 0.00 C ATOM 1250 C GLU A 86 -11.779 -12.564 -3.813 1.00 0.00 C ATOM 1251 O GLU A 86 -11.245 -11.501 -3.499 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.696 -12.760 -2.186 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.361 -13.634 -1.121 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.886 -13.539 -1.207 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -16.437 -12.640 -0.537 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.465 -14.368 -1.942 1.00 0.00 O ATOM 0 H GLU A 86 -11.005 -12.955 -1.311 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.762 -14.371 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.426 -11.796 -1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.403 -12.561 -2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.050 -14.671 -1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.029 -13.322 -0.131 1.00 0.00 H new ATOM 1263 N GLU A 87 -11.830 -13.042 -5.047 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.237 -12.316 -6.157 1.00 0.00 C ATOM 1265 C GLU A 87 -11.891 -10.940 -6.301 1.00 0.00 C ATOM 1266 O GLU A 87 -13.105 -10.842 -6.475 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.346 -13.115 -7.457 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.009 -13.138 -8.200 1.00 0.00 C ATOM 1269 CD GLU A 87 -9.946 -14.315 -9.177 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -10.397 -14.123 -10.326 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -9.447 -15.379 -8.752 1.00 0.00 O ATOM 0 H GLU A 87 -12.273 -13.924 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.177 -12.172 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.661 -14.135 -7.236 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.113 -12.676 -8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.874 -12.202 -8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.191 -13.211 -7.483 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.059 -9.913 -6.225 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.541 -8.548 -6.345 1.00 0.00 C ATOM 1280 C VAL A 88 -10.787 -7.842 -7.474 1.00 0.00 C ATOM 1281 O VAL A 88 -9.752 -8.326 -7.931 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.416 -7.828 -5.001 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.091 -8.628 -3.885 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -9.950 -7.547 -4.665 1.00 0.00 C ATOM 0 H VAL A 88 -10.053 -9.999 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.599 -8.539 -6.606 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.931 -6.871 -5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.987 -8.094 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.149 -8.754 -4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.618 -9.607 -3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.889 -7.035 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.403 -8.488 -4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.513 -6.918 -5.441 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.335 -6.711 -7.892 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.727 -5.934 -8.959 1.00 0.00 C ATOM 1296 C GLU A 89 -10.145 -4.633 -8.403 1.00 0.00 C ATOM 1297 O GLU A 89 -10.873 -3.664 -8.192 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.734 -5.652 -10.075 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.145 -5.993 -11.445 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.159 -5.725 -12.560 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -13.027 -6.601 -12.761 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.041 -4.649 -13.186 1.00 0.00 O ATOM 0 H GLU A 89 -12.194 -6.314 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.913 -6.518 -9.389 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.639 -6.236 -9.909 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.024 -4.601 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.246 -5.401 -11.616 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.845 -7.041 -11.465 1.00 0.00 H new ATOM 1309 N MET A 90 -8.839 -4.652 -8.182 1.00 0.00 N ATOM 1310 CA MET A 90 -8.152 -3.486 -7.654 1.00 0.00 C ATOM 1311 C MET A 90 -7.583 -2.627 -8.785 1.00 0.00 C ATOM 1312 O MET A 90 -6.856 -3.126 -9.643 1.00 0.00 O ATOM 1313 CB MET A 90 -7.016 -3.935 -6.733 1.00 0.00 C ATOM 1314 CG MET A 90 -6.414 -2.745 -5.984 1.00 0.00 C ATOM 1315 SD MET A 90 -5.162 -3.310 -4.845 1.00 0.00 S ATOM 1316 CE MET A 90 -4.228 -4.387 -5.920 1.00 0.00 C ATOM 0 H MET A 90 -8.238 -5.457 -8.359 1.00 0.00 H new ATOM 0 HA MET A 90 -8.870 -2.887 -7.094 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.391 -4.667 -6.018 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.242 -4.430 -7.319 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.980 -2.040 -6.693 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.196 -2.212 -5.443 1.00 0.00 H new ATOM 0 HE1 MET A 90 -4.194 -5.389 -5.492 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.705 -4.427 -6.899 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.213 -4.004 -6.027 1.00 0.00 H new ATOM 1326 N LYS A 91 -7.935 -1.350 -8.751 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.468 -0.417 -9.762 1.00 0.00 C ATOM 1328 C LYS A 91 -6.378 0.474 -9.163 1.00 0.00 C ATOM 1329 O LYS A 91 -6.531 0.991 -8.058 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.643 0.363 -10.355 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.352 -0.452 -11.437 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.870 -0.410 -11.250 1.00 0.00 C ATOM 1333 CE LYS A 91 -11.585 -0.282 -12.597 1.00 0.00 C ATOM 1334 NZ LYS A 91 -13.042 -0.484 -12.431 1.00 0.00 N ATOM 0 H LYS A 91 -8.539 -0.940 -8.039 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.018 -0.954 -10.597 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.350 0.619 -9.566 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.285 1.301 -10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.092 -0.061 -12.421 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.007 -1.485 -11.404 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.203 -1.315 -10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.138 0.431 -10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.395 0.702 -13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.187 -1.016 -13.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.512 -0.394 -13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.219 -1.433 -12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.420 0.233 -11.779 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.301 0.627 -9.920 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.185 1.446 -9.478 1.00 0.00 C ATOM 1350 C VAL A 92 -3.810 2.430 -10.588 1.00 0.00 C ATOM 1351 O VAL A 92 -4.049 2.164 -11.765 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.018 0.554 -9.050 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.397 -0.298 -7.837 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.544 -0.323 -10.210 1.00 0.00 C ATOM 0 H VAL A 92 -5.178 0.197 -10.837 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.465 2.033 -8.603 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.190 1.201 -8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.551 -0.923 -7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.664 0.353 -7.004 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.247 -0.932 -8.089 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.714 -0.947 -9.879 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.364 -0.958 -10.545 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.215 0.310 -11.034 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.228 3.546 -10.174 1.00 0.00 N ATOM 1365 CA VAL A 93 -2.817 4.571 -11.119 1.00 0.00 C ATOM 1366 C VAL A 93 -1.362 4.958 -10.844 1.00 0.00 C ATOM 1367 O VAL A 93 -0.944 5.033 -9.690 1.00 0.00 O ATOM 1368 CB VAL A 93 -3.776 5.761 -11.050 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -5.090 5.449 -11.769 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.029 6.177 -9.599 1.00 0.00 C ATOM 0 H VAL A 93 -3.031 3.763 -9.197 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.865 4.191 -12.140 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.306 6.601 -11.562 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.754 6.311 -11.705 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.887 5.224 -12.816 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.567 4.589 -11.299 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.714 7.025 -9.578 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.468 5.342 -9.052 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.086 6.461 -9.132 1.00 0.00 H new ATOM 1380 N SER A 94 -0.632 5.193 -11.924 1.00 0.00 N ATOM 1381 CA SER A 94 0.767 5.570 -11.814 1.00 0.00 C ATOM 1382 C SER A 94 0.889 7.087 -11.652 1.00 0.00 C ATOM 1383 O SER A 94 0.118 7.841 -12.244 1.00 0.00 O ATOM 1384 CB SER A 94 1.562 5.101 -13.034 1.00 0.00 C ATOM 1385 OG SER A 94 1.104 3.841 -13.517 1.00 0.00 O ATOM 0 H SER A 94 -0.983 5.130 -12.880 1.00 0.00 H new ATOM 0 HA SER A 94 1.184 5.082 -10.933 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.481 5.844 -13.827 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.618 5.027 -12.772 1.00 0.00 H new ATOM 0 HG SER A 94 1.635 3.577 -14.297 1.00 0.00 H new ATOM 1391 N LEU A 95 1.862 7.488 -10.848 1.00 0.00 N ATOM 1392 CA LEU A 95 2.095 8.901 -10.601 1.00 0.00 C ATOM 1393 C LEU A 95 3.063 9.445 -11.653 1.00 0.00 C ATOM 1394 O LEU A 95 4.107 8.847 -11.910 1.00 0.00 O ATOM 1395 CB LEU A 95 2.562 9.123 -9.162 1.00 0.00 C ATOM 1396 CG LEU A 95 1.614 9.920 -8.264 1.00 0.00 C ATOM 1397 CD1 LEU A 95 2.257 10.210 -6.906 1.00 0.00 C ATOM 1398 CD2 LEU A 95 1.144 11.199 -8.960 1.00 0.00 C ATOM 0 H LEU A 95 2.499 6.859 -10.359 1.00 0.00 H new ATOM 0 HA LEU A 95 1.167 9.464 -10.700 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.733 8.150 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.523 9.636 -9.188 1.00 0.00 H new ATOM 0 HG LEU A 95 0.729 9.311 -8.078 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.561 10.778 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.499 9.270 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.169 10.789 -7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.471 11.746 -8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.006 11.822 -9.197 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.619 10.941 -9.880 1.00 0.00 H new ATOM 1410 N LEU A 96 2.682 10.574 -12.234 1.00 0.00 N ATOM 1411 CA LEU A 96 3.504 11.206 -13.252 1.00 0.00 C ATOM 1412 C LEU A 96 3.998 12.559 -12.736 1.00 0.00 C ATOM 1413 O LEU A 96 3.196 13.436 -12.417 1.00 0.00 O ATOM 1414 CB LEU A 96 2.742 11.294 -14.576 1.00 0.00 C ATOM 1415 CG LEU A 96 1.808 10.124 -14.891 1.00 0.00 C ATOM 1416 CD1 LEU A 96 0.613 10.587 -15.727 1.00 0.00 C ATOM 1417 CD2 LEU A 96 2.569 8.980 -15.564 1.00 0.00 C ATOM 0 H LEU A 96 1.815 11.067 -12.019 1.00 0.00 H new ATOM 0 HA LEU A 96 4.387 10.602 -13.458 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.154 12.212 -14.574 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.467 11.382 -15.385 1.00 0.00 H new ATOM 0 HG LEU A 96 1.414 9.739 -13.951 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.035 9.736 -15.937 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.053 11.342 -15.175 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.969 11.013 -16.665 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.882 8.161 -15.777 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.010 9.335 -16.495 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.358 8.628 -14.900 1.00 0.00 H new