USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 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 61 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 64 GLN : amide:sc= -2.42! C(o=-2.4!,f=-2.6!) USER MOD Set 2.1: A 46 LYS NZ :NH3+ -128:sc= -0.108 (180deg=-1.96!) USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 0.242 USER MOD Single : A 11 HIS : no HE2:sc= 0.00397 X(o=0.004,f=-0.077) USER MOD Single : A 13 SER OG : rot -170:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 89:sc= 0.0116 USER MOD Single : A 22 LYS NZ :NH3+ -156:sc=-0.00219 (180deg=-0.689) USER MOD Single : A 23 ASN : amide:sc= -0.184 X(o=-0.18,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.142) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.429 K(o=-0.43,f=-2.5) USER MOD Single : A 39 SER OG : rot 180:sc= 0.105 USER MOD Single : A 40 TYR OH : rot 165:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -0.952! (180deg=-1.44!) USER MOD Single : A 54 GLN : amide:sc= -2.59 K(o=-2.6,f=-4.7!) USER MOD Single : A 57 SER OG : rot -32:sc= 0.752 USER MOD Single : A 59 GLN : amide:sc= -1.21! C(o=-1.2!,f=-3.6!) USER MOD Single : A 60 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.74) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00173 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -1.611 -16.705 -0.563 1.00 0.00 N ATOM 143 CA HIS A 11 -1.190 -15.312 -0.485 1.00 0.00 C ATOM 144 C HIS A 11 0.250 -15.205 0.004 1.00 0.00 C ATOM 145 O HIS A 11 0.881 -16.208 0.338 1.00 0.00 O ATOM 146 CB HIS A 11 -2.118 -14.526 0.444 1.00 0.00 C ATOM 147 CG HIS A 11 -2.435 -15.241 1.721 1.00 0.00 C ATOM 148 ND1 HIS A 11 -1.619 -15.135 2.821 1.00 0.00 N ATOM 149 CD2 HIS A 11 -3.480 -16.049 2.021 1.00 0.00 C ATOM 150 CE1 HIS A 11 -2.179 -15.876 3.761 1.00 0.00 C ATOM 151 NE2 HIS A 11 -3.310 -16.450 3.322 1.00 0.00 N ATOM 0 HA HIS A 11 -1.246 -14.886 -1.487 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.656 -13.567 0.679 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.048 -14.311 -0.082 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -0.757 -14.595 2.897 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -4.291 -16.324 1.363 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.778 -16.003 4.756 1.00 0.00 H new ATOM 159 N ILE A 12 0.760 -13.979 0.045 1.00 0.00 N ATOM 160 CA ILE A 12 2.124 -13.727 0.492 1.00 0.00 C ATOM 161 C ILE A 12 2.209 -13.740 2.016 1.00 0.00 C ATOM 162 O ILE A 12 1.255 -13.362 2.697 1.00 0.00 O ATOM 163 CB ILE A 12 2.636 -12.367 -0.032 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.031 -12.064 0.517 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.664 -11.255 0.337 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.108 -12.050 -0.545 1.00 0.00 C ATOM 0 H ILE A 12 0.246 -13.141 -0.227 1.00 0.00 H new ATOM 0 HA ILE A 12 2.750 -14.524 0.090 1.00 0.00 H new ATOM 0 HB ILE A 12 2.703 -12.423 -1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.013 -11.096 1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.285 -12.809 1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.040 -10.304 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.690 -11.461 -0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.566 -11.203 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.071 -11.829 -0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.153 -13.025 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.877 -11.286 -1.287 1.00 0.00 H new ATOM 178 N SER A 13 3.357 -14.167 2.543 1.00 0.00 N ATOM 179 CA SER A 13 3.561 -14.212 3.987 1.00 0.00 C ATOM 180 C SER A 13 3.164 -12.880 4.609 1.00 0.00 C ATOM 181 O SER A 13 2.457 -12.838 5.616 1.00 0.00 O ATOM 182 CB SER A 13 5.022 -14.530 4.312 1.00 0.00 C ATOM 183 OG SER A 13 5.380 -15.819 3.844 1.00 0.00 O ATOM 0 H SER A 13 4.155 -14.485 1.993 1.00 0.00 H new ATOM 0 HA SER A 13 2.935 -15.001 4.404 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.670 -13.781 3.857 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.179 -14.474 5.389 1.00 0.00 H new ATOM 0 HG SER A 13 6.261 -16.063 4.198 1.00 0.00 H new ATOM 189 N LYS A 14 3.611 -11.793 3.985 1.00 0.00 N ATOM 190 CA LYS A 14 3.288 -10.452 4.457 1.00 0.00 C ATOM 191 C LYS A 14 3.727 -9.393 3.447 1.00 0.00 C ATOM 192 O LYS A 14 4.772 -9.521 2.811 1.00 0.00 O ATOM 193 CB LYS A 14 3.953 -10.187 5.811 1.00 0.00 C ATOM 194 CG LYS A 14 5.424 -10.569 5.858 1.00 0.00 C ATOM 195 CD LYS A 14 5.849 -10.984 7.258 1.00 0.00 C ATOM 196 CE LYS A 14 6.992 -10.124 7.774 1.00 0.00 C ATOM 197 NZ LYS A 14 7.603 -10.696 9.007 1.00 0.00 N ATOM 0 H LYS A 14 4.198 -11.816 3.151 1.00 0.00 H new ATOM 0 HA LYS A 14 2.206 -10.390 4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.854 -9.129 6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.419 -10.741 6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.611 -11.387 5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.030 -9.726 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.999 -10.905 7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.155 -12.030 7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.754 -10.031 7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.625 -9.119 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.378 -10.081 9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.882 -10.762 9.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.976 -11.645 8.802 1.00 0.00 H new ATOM 211 N TYR A 15 2.923 -8.342 3.324 1.00 0.00 N ATOM 212 CA TYR A 15 3.217 -7.239 2.413 1.00 0.00 C ATOM 213 C TYR A 15 3.632 -6.015 3.212 1.00 0.00 C ATOM 214 O TYR A 15 3.140 -5.799 4.315 1.00 0.00 O ATOM 215 CB TYR A 15 1.981 -6.893 1.573 1.00 0.00 C ATOM 216 CG TYR A 15 2.247 -6.737 0.090 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.124 -5.768 -0.388 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.606 -7.553 -0.833 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.351 -5.619 -1.744 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.830 -7.412 -2.188 1.00 0.00 C ATOM 221 CZ TYR A 15 2.702 -6.443 -2.640 1.00 0.00 C ATOM 222 OH TYR A 15 2.926 -6.298 -3.989 1.00 0.00 O ATOM 0 H TYR A 15 2.055 -8.230 3.848 1.00 0.00 H new ATOM 0 HA TYR A 15 4.026 -7.543 1.749 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.233 -7.673 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.550 -5.966 1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.635 -5.122 0.311 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.920 -8.311 -0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.033 -4.861 -2.100 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.325 -8.057 -2.891 1.00 0.00 H new ATOM 0 HH TYR A 15 3.691 -6.850 -4.255 1.00 0.00 H new ATOM 232 N ILE A 16 4.521 -5.208 2.658 1.00 0.00 N ATOM 233 CA ILE A 16 4.958 -4.007 3.344 1.00 0.00 C ATOM 234 C ILE A 16 4.547 -2.770 2.572 1.00 0.00 C ATOM 235 O ILE A 16 4.552 -2.760 1.339 1.00 0.00 O ATOM 236 CB ILE A 16 6.490 -3.981 3.573 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.794 -3.879 5.071 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.140 -2.819 2.821 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.220 -2.636 5.725 1.00 0.00 C ATOM 0 H ILE A 16 4.950 -5.361 1.745 1.00 0.00 H new ATOM 0 HA ILE A 16 4.472 -4.013 4.319 1.00 0.00 H new ATOM 0 HB ILE A 16 6.909 -4.910 3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.397 -4.760 5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.874 -3.889 5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.215 -2.826 3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.949 -2.925 1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.719 -1.877 3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.475 -2.632 6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.636 -1.749 5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.136 -2.633 5.613 1.00 0.00 H new ATOM 251 N LEU A 17 4.218 -1.723 3.300 1.00 0.00 N ATOM 252 CA LEU A 17 3.839 -0.474 2.683 1.00 0.00 C ATOM 253 C LEU A 17 4.750 0.625 3.182 1.00 0.00 C ATOM 254 O LEU A 17 4.696 1.009 4.349 1.00 0.00 O ATOM 255 CB LEU A 17 2.387 -0.137 3.004 1.00 0.00 C ATOM 256 CG LEU A 17 1.546 0.292 1.800 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.263 -0.516 1.725 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.236 1.780 1.868 1.00 0.00 C ATOM 0 H LEU A 17 4.206 -1.715 4.320 1.00 0.00 H new ATOM 0 HA LEU A 17 3.937 -0.566 1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.920 -1.008 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.370 0.662 3.745 1.00 0.00 H new ATOM 0 HG LEU A 17 2.123 0.101 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.320 -0.194 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.505 -1.574 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.319 -0.360 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.637 2.067 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.681 1.995 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.167 2.346 1.868 1.00 0.00 H new ATOM 270 N ARG A 18 5.577 1.137 2.292 1.00 0.00 N ATOM 271 CA ARG A 18 6.493 2.202 2.641 1.00 0.00 C ATOM 272 C ARG A 18 6.164 3.420 1.816 1.00 0.00 C ATOM 273 O ARG A 18 6.032 3.329 0.598 1.00 0.00 O ATOM 274 CB ARG A 18 7.942 1.766 2.416 1.00 0.00 C ATOM 275 CG ARG A 18 8.083 0.284 2.125 1.00 0.00 C ATOM 276 CD ARG A 18 9.341 -0.296 2.750 1.00 0.00 C ATOM 277 NE ARG A 18 10.550 0.145 2.062 1.00 0.00 N ATOM 278 CZ ARG A 18 11.739 0.240 2.650 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.875 -0.070 3.932 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.795 0.643 1.955 1.00 0.00 N ATOM 0 H ARG A 18 5.633 0.831 1.320 1.00 0.00 H new ATOM 0 HA ARG A 18 6.384 2.443 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.360 2.334 1.585 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.530 2.014 3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.210 -0.246 2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.106 0.126 1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.393 -0.002 3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.288 -1.384 2.727 1.00 0.00 H new ATOM 0 HE ARG A 18 10.479 0.394 1.075 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.066 -0.382 4.470 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.788 0.004 4.380 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.696 0.881 0.968 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.706 0.715 2.408 1.00 0.00 H new ATOM 294 N TRP A 19 5.999 4.556 2.469 1.00 0.00 N ATOM 295 CA TRP A 19 5.643 5.755 1.735 1.00 0.00 C ATOM 296 C TRP A 19 5.963 7.034 2.484 1.00 0.00 C ATOM 297 O TRP A 19 6.150 7.048 3.700 1.00 0.00 O ATOM 298 CB TRP A 19 4.152 5.712 1.378 1.00 0.00 C ATOM 299 CG TRP A 19 3.256 6.414 2.359 1.00 0.00 C ATOM 300 CD1 TRP A 19 3.026 7.759 2.450 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.466 5.800 3.382 1.00 0.00 C ATOM 302 NE1 TRP A 19 2.139 8.015 3.469 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.782 6.828 4.055 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.270 4.478 3.792 1.00 0.00 C ATOM 305 CZ2 TRP A 19 0.916 6.574 5.116 1.00 0.00 C ATOM 306 CZ3 TRP A 19 1.412 4.227 4.846 1.00 0.00 C ATOM 307 CH2 TRP A 19 0.744 5.271 5.498 1.00 0.00 C ATOM 0 H TRP A 19 6.102 4.673 3.477 1.00 0.00 H new ATOM 0 HA TRP A 19 6.251 5.768 0.830 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.014 6.160 0.394 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.840 4.671 1.301 1.00 0.00 H new ATOM 0 HD1 TRP A 19 3.475 8.509 1.815 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.802 8.937 3.744 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.780 3.667 3.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.398 7.377 5.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.254 3.210 5.172 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.080 5.043 6.319 1.00 0.00 H new ATOM 318 N ARG A 20 5.983 8.109 1.715 1.00 0.00 N ATOM 319 CA ARG A 20 6.232 9.439 2.223 1.00 0.00 C ATOM 320 C ARG A 20 5.695 10.456 1.220 1.00 0.00 C ATOM 321 O ARG A 20 5.752 10.229 0.011 1.00 0.00 O ATOM 322 CB ARG A 20 7.730 9.658 2.472 1.00 0.00 C ATOM 323 CG ARG A 20 8.513 10.044 1.226 1.00 0.00 C ATOM 324 CD ARG A 20 8.642 8.875 0.265 1.00 0.00 C ATOM 325 NE ARG A 20 9.622 9.138 -0.785 1.00 0.00 N ATOM 326 CZ ARG A 20 9.469 10.071 -1.720 1.00 0.00 C ATOM 327 NH1 ARG A 20 8.373 10.818 -1.744 1.00 0.00 N ATOM 328 NH2 ARG A 20 10.412 10.257 -2.634 1.00 0.00 N ATOM 0 H ARG A 20 5.824 8.078 0.708 1.00 0.00 H new ATOM 0 HA ARG A 20 5.722 9.564 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.853 10.439 3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.156 8.745 2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.016 10.875 0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.505 10.392 1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.933 7.982 0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.672 8.668 -0.187 1.00 0.00 H new ATOM 0 HE ARG A 20 10.472 8.574 -0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.645 10.678 -1.044 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.259 11.533 -2.463 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.256 9.684 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.293 10.973 -3.351 1.00 0.00 H new ATOM 342 N PRO A 21 5.153 11.578 1.700 1.00 0.00 N ATOM 343 CA PRO A 21 4.593 12.617 0.830 1.00 0.00 C ATOM 344 C PRO A 21 5.598 13.094 -0.214 1.00 0.00 C ATOM 345 O PRO A 21 6.614 13.708 0.110 1.00 0.00 O ATOM 346 CB PRO A 21 4.253 13.755 1.804 1.00 0.00 C ATOM 347 CG PRO A 21 4.955 13.408 3.070 1.00 0.00 C ATOM 348 CD PRO A 21 5.012 11.920 3.117 1.00 0.00 C ATOM 0 HA PRO A 21 3.736 12.256 0.262 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.590 14.717 1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.177 13.832 1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.957 13.837 3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.421 13.805 3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.854 11.562 3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.110 11.490 3.553 1.00 0.00 H new ATOM 356 N LYS A 22 5.300 12.781 -1.473 1.00 0.00 N ATOM 357 CA LYS A 22 6.157 13.140 -2.600 1.00 0.00 C ATOM 358 C LYS A 22 6.516 14.626 -2.603 1.00 0.00 C ATOM 359 O LYS A 22 7.613 15.002 -3.016 1.00 0.00 O ATOM 360 CB LYS A 22 5.460 12.769 -3.915 1.00 0.00 C ATOM 361 CG LYS A 22 6.391 12.672 -5.121 1.00 0.00 C ATOM 362 CD LYS A 22 7.748 12.082 -4.758 1.00 0.00 C ATOM 363 CE LYS A 22 8.626 11.906 -5.989 1.00 0.00 C ATOM 364 NZ LYS A 22 10.066 12.140 -5.684 1.00 0.00 N ATOM 0 H LYS A 22 4.458 12.271 -1.740 1.00 0.00 H new ATOM 0 HA LYS A 22 7.087 12.581 -2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.953 11.813 -3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.690 13.512 -4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.923 12.056 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.532 13.664 -5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.249 12.733 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.608 11.118 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.498 10.899 -6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.303 12.598 -6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.565 12.413 -6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.153 12.902 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.486 11.268 -5.303 1.00 0.00 H new ATOM 378 N ASN A 23 5.587 15.471 -2.157 1.00 0.00 N ATOM 379 CA ASN A 23 5.822 16.915 -2.132 1.00 0.00 C ATOM 380 C ASN A 23 6.251 17.399 -0.749 1.00 0.00 C ATOM 381 O ASN A 23 7.172 18.207 -0.626 1.00 0.00 O ATOM 382 CB ASN A 23 4.563 17.665 -2.567 1.00 0.00 C ATOM 383 CG ASN A 23 4.861 18.746 -3.588 1.00 0.00 C ATOM 384 OD1 ASN A 23 4.865 19.934 -3.267 1.00 0.00 O ATOM 385 ND2 ASN A 23 5.110 18.337 -4.827 1.00 0.00 N ATOM 0 H ASN A 23 4.672 15.184 -1.811 1.00 0.00 H new ATOM 0 HA ASN A 23 6.634 17.122 -2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.849 16.958 -2.988 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.090 18.114 -1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.315 19.019 -5.558 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.096 17.341 -5.048 1.00 0.00 H new ATOM 392 N SER A 24 5.576 16.914 0.288 1.00 0.00 N ATOM 393 CA SER A 24 5.890 17.316 1.655 1.00 0.00 C ATOM 394 C SER A 24 7.108 16.566 2.185 1.00 0.00 C ATOM 395 O SER A 24 7.162 15.337 2.143 1.00 0.00 O ATOM 396 CB SER A 24 4.689 17.078 2.572 1.00 0.00 C ATOM 397 OG SER A 24 5.080 16.437 3.774 1.00 0.00 O ATOM 0 H SER A 24 4.811 16.244 0.209 1.00 0.00 H new ATOM 0 HA SER A 24 6.123 18.381 1.643 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.211 18.030 2.803 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.949 16.467 2.055 1.00 0.00 H new ATOM 0 HG SER A 24 4.293 16.299 4.342 1.00 0.00 H new ATOM 403 N VAL A 25 8.082 17.317 2.687 1.00 0.00 N ATOM 404 CA VAL A 25 9.299 16.729 3.231 1.00 0.00 C ATOM 405 C VAL A 25 9.025 16.050 4.572 1.00 0.00 C ATOM 406 O VAL A 25 8.672 16.706 5.552 1.00 0.00 O ATOM 407 CB VAL A 25 10.404 17.792 3.409 1.00 0.00 C ATOM 408 CG1 VAL A 25 9.855 19.024 4.112 1.00 0.00 C ATOM 409 CG2 VAL A 25 11.591 17.219 4.169 1.00 0.00 C ATOM 0 H VAL A 25 8.052 18.336 2.728 1.00 0.00 H new ATOM 0 HA VAL A 25 9.644 15.982 2.516 1.00 0.00 H new ATOM 0 HB VAL A 25 10.751 18.090 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.650 19.761 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.047 19.452 3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.475 18.743 5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.356 17.987 4.282 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.265 16.884 5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.003 16.374 3.617 1.00 0.00 H new ATOM 419 N GLY A 26 9.189 14.731 4.604 1.00 0.00 N ATOM 420 CA GLY A 26 8.955 13.981 5.826 1.00 0.00 C ATOM 421 C GLY A 26 9.692 12.655 5.839 1.00 0.00 C ATOM 422 O GLY A 26 10.542 12.402 4.985 1.00 0.00 O ATOM 0 H GLY A 26 9.480 14.167 3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.271 14.578 6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.886 13.801 5.940 1.00 0.00 H new ATOM 426 N ARG A 27 9.367 11.808 6.811 1.00 0.00 N ATOM 427 CA ARG A 27 10.004 10.501 6.931 1.00 0.00 C ATOM 428 C ARG A 27 9.151 9.419 6.276 1.00 0.00 C ATOM 429 O ARG A 27 7.952 9.603 6.072 1.00 0.00 O ATOM 430 CB ARG A 27 10.242 10.162 8.403 1.00 0.00 C ATOM 431 CG ARG A 27 11.540 10.730 8.955 1.00 0.00 C ATOM 432 CD ARG A 27 11.390 12.194 9.336 1.00 0.00 C ATOM 433 NE ARG A 27 10.313 12.401 10.302 1.00 0.00 N ATOM 434 CZ ARG A 27 9.928 13.598 10.734 1.00 0.00 C ATOM 435 NH1 ARG A 27 10.524 14.695 10.286 1.00 0.00 N ATOM 436 NH2 ARG A 27 8.943 13.699 11.617 1.00 0.00 N ATOM 0 H ARG A 27 8.667 12.003 7.526 1.00 0.00 H new ATOM 0 HA ARG A 27 10.964 10.541 6.416 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.408 10.541 8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.250 9.078 8.521 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.847 10.155 9.829 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.330 10.626 8.211 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.328 12.557 9.756 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.192 12.783 8.441 1.00 0.00 H new ATOM 0 HE ARG A 27 9.829 11.580 10.666 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.282 14.623 9.607 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.225 15.611 10.621 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.481 12.858 11.964 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.647 14.617 11.949 1.00 0.00 H new ATOM 450 N TRP A 28 9.777 8.291 5.952 1.00 0.00 N ATOM 451 CA TRP A 28 9.072 7.181 5.322 1.00 0.00 C ATOM 452 C TRP A 28 8.016 6.603 6.259 1.00 0.00 C ATOM 453 O TRP A 28 7.897 7.017 7.411 1.00 0.00 O ATOM 454 CB TRP A 28 10.055 6.077 4.923 1.00 0.00 C ATOM 455 CG TRP A 28 10.762 6.334 3.627 1.00 0.00 C ATOM 456 CD1 TRP A 28 12.012 6.860 3.466 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.264 6.070 2.310 1.00 0.00 C ATOM 458 NE1 TRP A 28 12.322 6.935 2.129 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.265 6.457 1.400 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.069 5.541 1.812 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.108 6.332 0.021 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.913 5.419 0.444 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.928 5.812 -0.437 1.00 0.00 C ATOM 0 H TRP A 28 10.770 8.122 6.115 1.00 0.00 H new ATOM 0 HA TRP A 28 8.580 7.566 4.429 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.796 5.961 5.713 1.00 0.00 H new ATOM 0 HB3 TRP A 28 9.516 5.132 4.851 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.661 7.171 4.271 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.197 7.289 1.742 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.282 5.233 2.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.889 6.634 -0.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.993 5.014 0.048 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.776 5.702 -1.501 1.00 0.00 H new ATOM 474 N LYS A 29 7.263 5.633 5.754 1.00 0.00 N ATOM 475 CA LYS A 29 6.224 4.975 6.535 1.00 0.00 C ATOM 476 C LYS A 29 6.280 3.475 6.296 1.00 0.00 C ATOM 477 O LYS A 29 6.847 3.033 5.303 1.00 0.00 O ATOM 478 CB LYS A 29 4.845 5.518 6.158 1.00 0.00 C ATOM 479 CG LYS A 29 3.926 5.730 7.350 1.00 0.00 C ATOM 480 CD LYS A 29 3.670 7.207 7.600 1.00 0.00 C ATOM 481 CE LYS A 29 3.197 7.456 9.023 1.00 0.00 C ATOM 482 NZ LYS A 29 2.169 8.531 9.088 1.00 0.00 N ATOM 0 H LYS A 29 7.354 5.283 4.800 1.00 0.00 H new ATOM 0 HA LYS A 29 6.395 5.178 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.968 6.465 5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.370 4.827 5.462 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.979 5.220 7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.371 5.281 8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.583 7.772 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.921 7.572 6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.785 6.535 9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.049 7.730 9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.739 8.544 10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.616 9.451 8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.432 8.350 8.376 1.00 0.00 H new ATOM 496 N GLU A 30 5.703 2.694 7.207 1.00 0.00 N ATOM 497 CA GLU A 30 5.708 1.237 7.070 1.00 0.00 C ATOM 498 C GLU A 30 4.383 0.632 7.530 1.00 0.00 C ATOM 499 O GLU A 30 3.912 0.902 8.634 1.00 0.00 O ATOM 500 CB GLU A 30 6.863 0.619 7.866 1.00 0.00 C ATOM 501 CG GLU A 30 7.646 1.619 8.703 1.00 0.00 C ATOM 502 CD GLU A 30 7.548 1.341 10.192 1.00 0.00 C ATOM 503 OE1 GLU A 30 6.818 0.403 10.575 1.00 0.00 O ATOM 504 OE2 GLU A 30 8.201 2.063 10.974 1.00 0.00 O ATOM 0 H GLU A 30 5.230 3.041 8.041 1.00 0.00 H new ATOM 0 HA GLU A 30 5.844 1.010 6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.465 -0.155 8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.546 0.128 7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.693 1.597 8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.277 2.624 8.500 1.00 0.00 H new ATOM 511 N ALA A 31 3.796 -0.199 6.672 1.00 0.00 N ATOM 512 CA ALA A 31 2.532 -0.861 6.977 1.00 0.00 C ATOM 513 C ALA A 31 2.545 -2.295 6.459 1.00 0.00 C ATOM 514 O ALA A 31 2.606 -2.524 5.252 1.00 0.00 O ATOM 515 CB ALA A 31 1.367 -0.092 6.371 1.00 0.00 C ATOM 0 H ALA A 31 4.179 -0.430 5.755 1.00 0.00 H new ATOM 0 HA ALA A 31 2.407 -0.882 8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.433 -0.600 6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.345 0.918 6.781 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.488 -0.042 5.289 1.00 0.00 H new ATOM 521 N THR A 32 2.499 -3.260 7.372 1.00 0.00 N ATOM 522 CA THR A 32 2.518 -4.665 6.987 1.00 0.00 C ATOM 523 C THR A 32 1.110 -5.236 6.856 1.00 0.00 C ATOM 524 O THR A 32 0.370 -5.330 7.835 1.00 0.00 O ATOM 525 CB THR A 32 3.310 -5.520 7.990 1.00 0.00 C ATOM 526 OG1 THR A 32 4.365 -4.745 8.573 1.00 0.00 O ATOM 527 CG2 THR A 32 3.894 -6.749 7.306 1.00 0.00 C ATOM 0 H THR A 32 2.449 -3.096 8.377 1.00 0.00 H new ATOM 0 HA THR A 32 3.011 -4.705 6.015 1.00 0.00 H new ATOM 0 HB THR A 32 2.627 -5.847 8.774 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.862 -5.298 9.211 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.450 -7.340 8.033 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.087 -7.352 6.890 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.563 -6.436 6.505 1.00 0.00 H new ATOM 535 N ILE A 33 0.756 -5.627 5.635 1.00 0.00 N ATOM 536 CA ILE A 33 -0.552 -6.202 5.353 1.00 0.00 C ATOM 537 C ILE A 33 -0.391 -7.590 4.732 1.00 0.00 C ATOM 538 O ILE A 33 0.024 -7.713 3.582 1.00 0.00 O ATOM 539 CB ILE A 33 -1.374 -5.315 4.391 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.564 -4.085 3.950 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.683 -4.895 5.043 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.430 -3.014 5.014 1.00 0.00 C ATOM 0 H ILE A 33 1.364 -5.554 4.820 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.087 -6.271 6.300 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.605 -5.900 3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.432 -4.409 3.649 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.037 -3.649 3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.250 -4.271 4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.266 -5.782 5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.472 -4.331 5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.155 -2.182 4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.420 -2.659 5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.072 -3.430 5.888 1.00 0.00 H new ATOM 554 N PRO A 34 -0.700 -8.658 5.490 1.00 0.00 N ATOM 555 CA PRO A 34 -0.563 -10.035 4.999 1.00 0.00 C ATOM 556 C PRO A 34 -1.438 -10.322 3.782 1.00 0.00 C ATOM 557 O PRO A 34 -2.588 -10.742 3.915 1.00 0.00 O ATOM 558 CB PRO A 34 -0.999 -10.898 6.188 1.00 0.00 C ATOM 559 CG PRO A 34 -0.908 -10.003 7.378 1.00 0.00 C ATOM 560 CD PRO A 34 -1.186 -8.615 6.878 1.00 0.00 C ATOM 0 HA PRO A 34 0.455 -10.235 4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.014 -11.270 6.052 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.353 -11.769 6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.630 -10.294 8.141 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.080 -10.062 7.835 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.248 -8.374 6.926 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.661 -7.862 7.466 1.00 0.00 H new ATOM 568 N GLY A 35 -0.872 -10.102 2.595 1.00 0.00 N ATOM 569 CA GLY A 35 -1.590 -10.348 1.353 1.00 0.00 C ATOM 570 C GLY A 35 -3.020 -9.841 1.378 1.00 0.00 C ATOM 571 O GLY A 35 -3.952 -10.589 1.084 1.00 0.00 O ATOM 0 H GLY A 35 0.079 -9.755 2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.056 -9.870 0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.595 -11.419 1.150 1.00 0.00 H new ATOM 575 N HIS A 36 -3.192 -8.568 1.725 1.00 0.00 N ATOM 576 CA HIS A 36 -4.518 -7.962 1.785 1.00 0.00 C ATOM 577 C HIS A 36 -5.461 -8.795 2.651 1.00 0.00 C ATOM 578 O HIS A 36 -6.483 -9.291 2.176 1.00 0.00 O ATOM 579 CB HIS A 36 -5.097 -7.810 0.376 1.00 0.00 C ATOM 580 CG HIS A 36 -6.064 -6.675 0.250 1.00 0.00 C ATOM 581 ND1 HIS A 36 -5.634 -5.374 0.167 1.00 0.00 N ATOM 582 CD2 HIS A 36 -7.419 -6.697 0.200 1.00 0.00 C ATOM 583 CE1 HIS A 36 -6.726 -4.637 0.070 1.00 0.00 C ATOM 584 NE2 HIS A 36 -7.833 -5.395 0.085 1.00 0.00 N ATOM 0 H HIS A 36 -2.429 -7.936 1.969 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.419 -6.975 2.237 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.280 -7.662 -0.330 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.597 -8.737 0.095 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.051 -7.572 0.243 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.728 -3.560 -0.011 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.797 -5.066 0.023 1.00 0.00 H new ATOM 592 N LEU A 37 -5.104 -8.947 3.922 1.00 0.00 N ATOM 593 CA LEU A 37 -5.910 -9.724 4.860 1.00 0.00 C ATOM 594 C LEU A 37 -7.267 -9.067 5.112 1.00 0.00 C ATOM 595 O LEU A 37 -8.219 -9.734 5.518 1.00 0.00 O ATOM 596 CB LEU A 37 -5.153 -9.933 6.185 1.00 0.00 C ATOM 597 CG LEU A 37 -4.933 -8.690 7.075 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.542 -7.468 6.258 1.00 0.00 C ATOM 599 CD2 LEU A 37 -6.169 -8.394 7.909 1.00 0.00 C ATOM 0 H LEU A 37 -4.260 -8.542 4.328 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.094 -10.699 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.695 -10.676 6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.177 -10.360 5.953 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.104 -8.919 7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.397 -6.617 6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.615 -7.671 5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.333 -7.240 5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.989 -7.514 8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.017 -8.207 7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.389 -9.248 8.549 1.00 0.00 H new ATOM 611 N ASN A 38 -7.353 -7.763 4.866 1.00 0.00 N ATOM 612 CA ASN A 38 -8.600 -7.028 5.065 1.00 0.00 C ATOM 613 C ASN A 38 -8.497 -5.619 4.496 1.00 0.00 C ATOM 614 O ASN A 38 -7.521 -5.279 3.826 1.00 0.00 O ATOM 615 CB ASN A 38 -8.957 -6.966 6.554 1.00 0.00 C ATOM 616 CG ASN A 38 -8.267 -5.820 7.271 1.00 0.00 C ATOM 617 OD1 ASN A 38 -7.082 -5.563 7.059 1.00 0.00 O ATOM 618 ND2 ASN A 38 -9.009 -5.125 8.126 1.00 0.00 N ATOM 0 H ASN A 38 -6.576 -7.194 4.529 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.390 -7.559 4.535 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.037 -6.860 6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.681 -7.907 7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.600 -4.343 8.638 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.988 -5.373 8.271 1.00 0.00 H new ATOM 625 N SER A 39 -9.510 -4.802 4.767 1.00 0.00 N ATOM 626 CA SER A 39 -9.532 -3.429 4.281 1.00 0.00 C ATOM 627 C SER A 39 -8.632 -2.540 5.132 1.00 0.00 C ATOM 628 O SER A 39 -8.982 -2.181 6.256 1.00 0.00 O ATOM 629 CB SER A 39 -10.961 -2.884 4.292 1.00 0.00 C ATOM 630 OG SER A 39 -11.875 -3.861 4.759 1.00 0.00 O ATOM 0 H SER A 39 -10.325 -5.068 5.320 1.00 0.00 H new ATOM 0 HA SER A 39 -9.157 -3.425 3.257 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.012 -2.000 4.928 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.242 -2.570 3.287 1.00 0.00 H new ATOM 0 HG SER A 39 -12.781 -3.488 4.758 1.00 0.00 H new ATOM 636 N TYR A 40 -7.477 -2.181 4.582 1.00 0.00 N ATOM 637 CA TYR A 40 -6.531 -1.327 5.285 1.00 0.00 C ATOM 638 C TYR A 40 -6.688 0.122 4.826 1.00 0.00 C ATOM 639 O TYR A 40 -6.731 0.404 3.627 1.00 0.00 O ATOM 640 CB TYR A 40 -5.095 -1.825 5.070 1.00 0.00 C ATOM 641 CG TYR A 40 -4.483 -1.411 3.749 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.736 -2.132 2.589 1.00 0.00 C ATOM 643 CD2 TYR A 40 -3.652 -0.302 3.665 1.00 0.00 C ATOM 644 CE1 TYR A 40 -4.177 -1.757 1.380 1.00 0.00 C ATOM 645 CE2 TYR A 40 -3.092 0.080 2.462 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.356 -0.650 1.322 1.00 0.00 C ATOM 647 OH TYR A 40 -2.800 -0.273 0.121 1.00 0.00 O ATOM 0 H TYR A 40 -7.175 -2.469 3.651 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.742 -1.370 6.353 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.468 -1.452 5.880 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.087 -2.913 5.136 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.379 -2.999 2.631 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.440 0.271 4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.382 -2.328 0.487 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.450 0.947 2.414 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.453 0.641 0.194 1.00 0.00 H new ATOM 657 N THR A 41 -6.802 1.033 5.785 1.00 0.00 N ATOM 658 CA THR A 41 -6.983 2.446 5.473 1.00 0.00 C ATOM 659 C THR A 41 -5.689 3.240 5.618 1.00 0.00 C ATOM 660 O THR A 41 -4.848 2.939 6.465 1.00 0.00 O ATOM 661 CB THR A 41 -8.062 3.084 6.370 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.206 4.472 6.050 1.00 0.00 O ATOM 663 CG2 THR A 41 -7.705 2.932 7.842 1.00 0.00 C ATOM 0 H THR A 41 -6.772 0.820 6.782 1.00 0.00 H new ATOM 0 HA THR A 41 -7.302 2.486 4.431 1.00 0.00 H new ATOM 0 HB THR A 41 -9.005 2.569 6.187 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.894 4.870 6.623 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.482 3.390 8.454 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.625 1.874 8.090 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.752 3.423 8.038 1.00 0.00 H new ATOM 671 N ILE A 42 -5.554 4.269 4.789 1.00 0.00 N ATOM 672 CA ILE A 42 -4.391 5.138 4.810 1.00 0.00 C ATOM 673 C ILE A 42 -4.674 6.351 5.685 1.00 0.00 C ATOM 674 O ILE A 42 -5.775 6.903 5.652 1.00 0.00 O ATOM 675 CB ILE A 42 -3.999 5.596 3.385 1.00 0.00 C ATOM 676 CG1 ILE A 42 -3.279 4.466 2.648 1.00 0.00 C ATOM 677 CG2 ILE A 42 -3.118 6.837 3.433 1.00 0.00 C ATOM 678 CD1 ILE A 42 -3.399 4.554 1.142 1.00 0.00 C ATOM 0 H ILE A 42 -6.248 4.521 4.086 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.554 4.574 5.221 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.912 5.848 2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.224 4.479 2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.683 3.510 2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.857 7.137 2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.657 7.647 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.208 6.616 3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.865 3.721 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.450 4.510 0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.969 5.494 0.797 1.00 0.00 H new ATOM 690 N LYS A 43 -3.681 6.737 6.476 1.00 0.00 N ATOM 691 CA LYS A 43 -3.794 7.872 7.391 1.00 0.00 C ATOM 692 C LYS A 43 -4.698 8.971 6.832 1.00 0.00 C ATOM 693 O LYS A 43 -5.511 9.541 7.560 1.00 0.00 O ATOM 694 CB LYS A 43 -2.404 8.429 7.691 1.00 0.00 C ATOM 695 CG LYS A 43 -1.655 7.655 8.768 1.00 0.00 C ATOM 696 CD LYS A 43 -1.572 6.168 8.446 1.00 0.00 C ATOM 697 CE LYS A 43 -1.627 5.314 9.705 1.00 0.00 C ATOM 698 NZ LYS A 43 -2.263 6.031 10.846 1.00 0.00 N ATOM 0 H LYS A 43 -2.773 6.273 6.503 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.253 7.516 8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.814 8.423 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.498 9.469 8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.649 8.060 8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.155 7.791 9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.393 5.893 7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.646 5.964 7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.183 4.400 9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.616 5.016 9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.479 5.353 11.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.612 6.758 11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.143 6.483 10.525 1.00 0.00 H new ATOM 712 N GLY A 44 -4.564 9.254 5.540 1.00 0.00 N ATOM 713 CA GLY A 44 -5.392 10.273 4.919 1.00 0.00 C ATOM 714 C GLY A 44 -4.589 11.403 4.307 1.00 0.00 C ATOM 715 O GLY A 44 -3.929 12.161 5.016 1.00 0.00 O ATOM 0 H GLY A 44 -3.900 8.798 4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.006 9.812 4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.074 10.682 5.665 1.00 0.00 H new ATOM 719 N LEU A 45 -4.654 11.518 2.982 1.00 0.00 N ATOM 720 CA LEU A 45 -3.936 12.565 2.266 1.00 0.00 C ATOM 721 C LEU A 45 -4.883 13.712 1.902 1.00 0.00 C ATOM 722 O LEU A 45 -5.906 13.500 1.249 1.00 0.00 O ATOM 723 CB LEU A 45 -3.268 11.984 1.011 1.00 0.00 C ATOM 724 CG LEU A 45 -2.452 10.700 1.227 1.00 0.00 C ATOM 725 CD1 LEU A 45 -1.711 10.735 2.555 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.347 9.473 1.155 1.00 0.00 C ATOM 0 H LEU A 45 -5.198 10.897 2.383 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.157 12.965 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.042 11.781 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.611 12.743 0.586 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.714 10.640 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.143 9.813 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.030 11.586 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.429 10.831 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.748 8.576 1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.114 9.536 1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.822 9.426 0.175 1.00 0.00 H new ATOM 738 N LYS A 46 -4.547 14.923 2.351 1.00 0.00 N ATOM 739 CA LYS A 46 -5.378 16.105 2.097 1.00 0.00 C ATOM 740 C LYS A 46 -5.089 16.725 0.723 1.00 0.00 C ATOM 741 O LYS A 46 -3.939 16.890 0.341 1.00 0.00 O ATOM 742 CB LYS A 46 -5.170 17.147 3.204 1.00 0.00 C ATOM 743 CG LYS A 46 -3.869 17.927 3.084 1.00 0.00 C ATOM 744 CD LYS A 46 -2.744 17.260 3.855 1.00 0.00 C ATOM 745 CE LYS A 46 -1.630 18.243 4.175 1.00 0.00 C ATOM 746 NZ LYS A 46 -0.289 17.696 3.825 1.00 0.00 N ATOM 0 H LYS A 46 -3.704 15.113 2.893 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.419 15.781 2.098 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.004 17.848 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.192 16.644 4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.591 18.012 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.016 18.940 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.136 16.838 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.343 16.431 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.797 19.171 3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.656 18.488 5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.344 17.777 4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.381 16.696 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.108 18.233 3.028 1.00 0.00 H new ATOM 760 N PRO A 47 -6.148 17.082 -0.029 1.00 0.00 N ATOM 761 CA PRO A 47 -6.041 17.677 -1.369 1.00 0.00 C ATOM 762 C PRO A 47 -4.902 18.686 -1.527 1.00 0.00 C ATOM 763 O PRO A 47 -4.603 19.454 -0.612 1.00 0.00 O ATOM 764 CB PRO A 47 -7.396 18.385 -1.558 1.00 0.00 C ATOM 765 CG PRO A 47 -8.182 18.131 -0.308 1.00 0.00 C ATOM 766 CD PRO A 47 -7.551 16.944 0.361 1.00 0.00 C ATOM 0 HA PRO A 47 -5.817 16.907 -2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.257 19.454 -1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.919 17.996 -2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.160 19.002 0.347 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.228 17.934 -0.541 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.678 16.971 1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.980 16.004 0.013 1.00 0.00 H new ATOM 774 N GLY A 48 -4.294 18.691 -2.719 1.00 0.00 N ATOM 775 CA GLY A 48 -3.216 19.621 -3.017 1.00 0.00 C ATOM 776 C GLY A 48 -1.825 19.049 -2.795 1.00 0.00 C ATOM 777 O GLY A 48 -0.830 19.709 -3.094 1.00 0.00 O ATOM 0 H GLY A 48 -4.534 18.062 -3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.304 19.942 -4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.335 20.510 -2.397 1.00 0.00 H new ATOM 781 N VAL A 49 -1.745 17.839 -2.252 1.00 0.00 N ATOM 782 CA VAL A 49 -0.451 17.217 -1.977 1.00 0.00 C ATOM 783 C VAL A 49 -0.272 15.881 -2.695 1.00 0.00 C ATOM 784 O VAL A 49 -1.179 15.056 -2.731 1.00 0.00 O ATOM 785 CB VAL A 49 -0.247 16.998 -0.467 1.00 0.00 C ATOM 786 CG1 VAL A 49 1.177 17.349 -0.067 1.00 0.00 C ATOM 787 CG2 VAL A 49 -1.255 17.810 0.334 1.00 0.00 C ATOM 0 H VAL A 49 -2.553 17.272 -1.995 1.00 0.00 H new ATOM 0 HA VAL A 49 0.297 17.913 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.412 15.944 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.304 17.189 1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.875 16.716 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.374 18.395 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.094 17.641 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.128 18.869 0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.266 17.501 0.066 1.00 0.00 H new ATOM 797 N VAL A 50 0.919 15.661 -3.240 1.00 0.00 N ATOM 798 CA VAL A 50 1.228 14.408 -3.920 1.00 0.00 C ATOM 799 C VAL A 50 1.968 13.479 -2.959 1.00 0.00 C ATOM 800 O VAL A 50 3.014 13.845 -2.424 1.00 0.00 O ATOM 801 CB VAL A 50 2.090 14.641 -5.181 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.236 15.593 -4.884 1.00 0.00 C ATOM 803 CG2 VAL A 50 2.616 13.322 -5.732 1.00 0.00 C ATOM 0 H VAL A 50 1.686 16.333 -3.224 1.00 0.00 H new ATOM 0 HA VAL A 50 0.289 13.954 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 50 1.456 15.097 -5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.829 15.742 -5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.836 16.551 -4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.866 15.171 -4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.220 13.513 -6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.228 12.830 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.777 12.678 -5.996 1.00 0.00 H new ATOM 813 N TYR A 51 1.425 12.284 -2.725 1.00 0.00 N ATOM 814 CA TYR A 51 2.057 11.340 -1.813 1.00 0.00 C ATOM 815 C TYR A 51 2.615 10.146 -2.570 1.00 0.00 C ATOM 816 O TYR A 51 1.941 9.569 -3.418 1.00 0.00 O ATOM 817 CB TYR A 51 1.060 10.865 -0.757 1.00 0.00 C ATOM 818 CG TYR A 51 0.811 11.872 0.342 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.024 12.993 0.117 1.00 0.00 C ATOM 820 CD2 TYR A 51 1.362 11.699 1.606 1.00 0.00 C ATOM 821 CE1 TYR A 51 -0.208 13.915 1.119 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.133 12.617 2.615 1.00 0.00 C ATOM 823 CZ TYR A 51 0.348 13.723 2.366 1.00 0.00 C ATOM 824 OH TYR A 51 0.120 14.640 3.366 1.00 0.00 O ATOM 0 H TYR A 51 0.559 11.953 -3.150 1.00 0.00 H new ATOM 0 HA TYR A 51 2.881 11.854 -1.317 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.113 10.631 -1.244 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.428 9.940 -0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.414 13.147 -0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.978 10.835 1.804 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.822 14.782 0.927 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.567 12.468 3.593 1.00 0.00 H new ATOM 0 HH TYR A 51 0.582 14.356 4.182 1.00 0.00 H new ATOM 834 N GLU A 52 3.848 9.774 -2.254 1.00 0.00 N ATOM 835 CA GLU A 52 4.485 8.641 -2.904 1.00 0.00 C ATOM 836 C GLU A 52 4.350 7.398 -2.035 1.00 0.00 C ATOM 837 O GLU A 52 4.667 7.431 -0.850 1.00 0.00 O ATOM 838 CB GLU A 52 5.963 8.952 -3.176 1.00 0.00 C ATOM 839 CG GLU A 52 6.872 7.733 -3.137 1.00 0.00 C ATOM 840 CD GLU A 52 7.835 7.683 -4.306 1.00 0.00 C ATOM 841 OE1 GLU A 52 7.498 8.229 -5.377 1.00 0.00 O ATOM 842 OE2 GLU A 52 8.927 7.095 -4.151 1.00 0.00 O ATOM 0 H GLU A 52 4.424 10.240 -1.553 1.00 0.00 H new ATOM 0 HA GLU A 52 3.991 8.453 -3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.049 9.425 -4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.312 9.676 -2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.438 7.737 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.262 6.830 -3.136 1.00 0.00 H new ATOM 849 N GLY A 53 3.876 6.309 -2.631 1.00 0.00 N ATOM 850 CA GLY A 53 3.704 5.068 -1.893 1.00 0.00 C ATOM 851 C GLY A 53 4.441 3.904 -2.523 1.00 0.00 C ATOM 852 O GLY A 53 4.642 3.873 -3.736 1.00 0.00 O ATOM 0 H GLY A 53 3.607 6.262 -3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.058 5.206 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.642 4.830 -1.833 1.00 0.00 H new ATOM 856 N GLN A 54 4.851 2.946 -1.695 1.00 0.00 N ATOM 857 CA GLN A 54 5.578 1.777 -2.185 1.00 0.00 C ATOM 858 C GLN A 54 5.006 0.481 -1.611 1.00 0.00 C ATOM 859 O GLN A 54 4.581 0.434 -0.457 1.00 0.00 O ATOM 860 CB GLN A 54 7.064 1.896 -1.834 1.00 0.00 C ATOM 861 CG GLN A 54 7.856 0.617 -2.058 1.00 0.00 C ATOM 862 CD GLN A 54 9.315 0.761 -1.671 1.00 0.00 C ATOM 863 OE1 GLN A 54 9.638 1.285 -0.605 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.207 0.295 -2.539 1.00 0.00 N ATOM 0 H GLN A 54 4.694 2.955 -0.687 1.00 0.00 H new ATOM 0 HA GLN A 54 5.464 1.743 -3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.505 2.694 -2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.158 2.191 -0.789 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.408 -0.190 -1.478 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.789 0.331 -3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.895 -0.132 -3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.204 0.364 -2.333 1.00 0.00 H new ATOM 873 N LEU A 55 5.015 -0.570 -2.428 1.00 0.00 N ATOM 874 CA LEU A 55 4.514 -1.877 -2.015 1.00 0.00 C ATOM 875 C LEU A 55 5.599 -2.938 -2.176 1.00 0.00 C ATOM 876 O LEU A 55 5.937 -3.325 -3.295 1.00 0.00 O ATOM 877 CB LEU A 55 3.288 -2.269 -2.845 1.00 0.00 C ATOM 878 CG LEU A 55 1.975 -2.382 -2.068 1.00 0.00 C ATOM 879 CD1 LEU A 55 1.608 -1.053 -1.432 1.00 0.00 C ATOM 880 CD2 LEU A 55 0.858 -2.862 -2.983 1.00 0.00 C ATOM 0 H LEU A 55 5.366 -0.540 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 55 4.228 -1.814 -0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.158 -1.533 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.488 -3.226 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 55 2.111 -3.113 -1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.671 -1.158 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.397 -0.748 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.492 -0.298 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.070 -2.937 -2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.727 -2.153 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.115 -3.840 -3.389 1.00 0.00 H new ATOM 892 N ILE A 56 6.144 -3.401 -1.057 1.00 0.00 N ATOM 893 CA ILE A 56 7.192 -4.414 -1.083 1.00 0.00 C ATOM 894 C ILE A 56 6.711 -5.723 -0.462 1.00 0.00 C ATOM 895 O ILE A 56 6.380 -5.770 0.721 1.00 0.00 O ATOM 896 CB ILE A 56 8.455 -3.933 -0.337 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.095 -2.763 -1.085 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.451 -5.071 -0.182 1.00 0.00 C ATOM 899 CD1 ILE A 56 10.281 -2.155 -0.366 1.00 0.00 C ATOM 0 H ILE A 56 5.878 -3.092 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 56 7.441 -4.586 -2.130 1.00 0.00 H new ATOM 0 HB ILE A 56 8.163 -3.596 0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.415 -3.104 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.343 -1.990 -1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.334 -4.712 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.993 -5.881 0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.741 -5.437 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.682 -1.332 -0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.964 -1.782 0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 56 11.052 -2.913 -0.231 1.00 0.00 H new ATOM 911 N SER A 57 6.681 -6.786 -1.262 1.00 0.00 N ATOM 912 CA SER A 57 6.242 -8.088 -0.773 1.00 0.00 C ATOM 913 C SER A 57 7.370 -8.809 -0.054 1.00 0.00 C ATOM 914 O SER A 57 8.522 -8.791 -0.488 1.00 0.00 O ATOM 915 CB SER A 57 5.728 -8.962 -1.913 1.00 0.00 C ATOM 916 OG SER A 57 5.021 -8.196 -2.871 1.00 0.00 O ATOM 0 H SER A 57 6.954 -6.771 -2.245 1.00 0.00 H new ATOM 0 HA SER A 57 5.428 -7.910 -0.071 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.566 -9.466 -2.394 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.076 -9.739 -1.513 1.00 0.00 H new ATOM 0 HG SER A 57 4.574 -7.447 -2.425 1.00 0.00 H new ATOM 922 N ILE A 58 7.019 -9.437 1.055 1.00 0.00 N ATOM 923 CA ILE A 58 7.973 -10.182 1.867 1.00 0.00 C ATOM 924 C ILE A 58 7.615 -11.666 1.952 1.00 0.00 C ATOM 925 O ILE A 58 6.469 -12.023 2.240 1.00 0.00 O ATOM 926 CB ILE A 58 8.083 -9.589 3.287 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.011 -8.374 3.260 1.00 0.00 C ATOM 928 CG2 ILE A 58 8.589 -10.634 4.270 1.00 0.00 C ATOM 929 CD1 ILE A 58 9.431 -7.884 4.631 1.00 0.00 C ATOM 0 H ILE A 58 6.067 -9.446 1.420 1.00 0.00 H new ATOM 0 HA ILE A 58 8.940 -10.093 1.371 1.00 0.00 H new ATOM 0 HB ILE A 58 7.094 -9.274 3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.904 -8.625 2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.512 -7.561 2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.659 -10.194 5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.898 -11.476 4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.574 -10.981 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.088 -7.021 4.523 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.547 -7.599 5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.961 -8.679 5.155 1.00 0.00 H new ATOM 941 N GLN A 59 8.609 -12.524 1.729 1.00 0.00 N ATOM 942 CA GLN A 59 8.413 -13.970 1.807 1.00 0.00 C ATOM 943 C GLN A 59 8.790 -14.482 3.192 1.00 0.00 C ATOM 944 O GLN A 59 9.138 -13.703 4.079 1.00 0.00 O ATOM 945 CB GLN A 59 9.251 -14.696 0.751 1.00 0.00 C ATOM 946 CG GLN A 59 8.452 -15.652 -0.127 1.00 0.00 C ATOM 947 CD GLN A 59 7.219 -16.209 0.563 1.00 0.00 C ATOM 948 OE1 GLN A 59 7.286 -17.223 1.257 1.00 0.00 O ATOM 949 NE2 GLN A 59 6.083 -15.546 0.373 1.00 0.00 N ATOM 0 H GLN A 59 9.560 -12.242 1.492 1.00 0.00 H new ATOM 0 HA GLN A 59 7.359 -14.174 1.619 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.736 -13.955 0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.042 -15.254 1.251 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.148 -15.133 -1.036 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.094 -16.478 -0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.072 -14.709 -0.210 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.222 -15.874 0.811 1.00 0.00 H new ATOM 958 N GLN A 60 8.726 -15.797 3.369 1.00 0.00 N ATOM 959 CA GLN A 60 9.070 -16.412 4.645 1.00 0.00 C ATOM 960 C GLN A 60 10.527 -16.129 5.000 1.00 0.00 C ATOM 961 O GLN A 60 10.886 -16.048 6.175 1.00 0.00 O ATOM 962 CB GLN A 60 8.826 -17.922 4.593 1.00 0.00 C ATOM 963 CG GLN A 60 9.532 -18.612 3.437 1.00 0.00 C ATOM 964 CD GLN A 60 10.659 -19.516 3.898 1.00 0.00 C ATOM 965 OE1 GLN A 60 10.538 -20.213 4.905 1.00 0.00 O ATOM 966 NE2 GLN A 60 11.764 -19.506 3.161 1.00 0.00 N ATOM 0 H GLN A 60 8.439 -16.457 2.646 1.00 0.00 H new ATOM 0 HA GLN A 60 8.433 -15.980 5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.159 -18.368 5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.754 -18.106 4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.808 -19.199 2.872 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.930 -17.858 2.758 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.820 -18.912 2.334 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.557 -20.092 3.422 1.00 0.00 H new ATOM 975 N TYR A 61 11.360 -15.979 3.974 1.00 0.00 N ATOM 976 CA TYR A 61 12.779 -15.701 4.173 1.00 0.00 C ATOM 977 C TYR A 61 13.090 -14.228 3.912 1.00 0.00 C ATOM 978 O TYR A 61 14.233 -13.793 4.055 1.00 0.00 O ATOM 979 CB TYR A 61 13.630 -16.591 3.259 1.00 0.00 C ATOM 980 CG TYR A 61 13.520 -16.248 1.789 1.00 0.00 C ATOM 981 CD1 TYR A 61 12.467 -16.729 1.021 1.00 0.00 C ATOM 982 CD2 TYR A 61 14.473 -15.450 1.168 1.00 0.00 C ATOM 983 CE1 TYR A 61 12.366 -16.424 -0.323 1.00 0.00 C ATOM 984 CE2 TYR A 61 14.380 -15.140 -0.176 1.00 0.00 C ATOM 985 CZ TYR A 61 13.324 -15.629 -0.917 1.00 0.00 C ATOM 986 OH TYR A 61 13.228 -15.324 -2.255 1.00 0.00 O ATOM 0 H TYR A 61 11.077 -16.045 2.996 1.00 0.00 H new ATOM 0 HA TYR A 61 13.025 -15.923 5.211 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.674 -16.513 3.563 1.00 0.00 H new ATOM 0 HB3 TYR A 61 13.333 -17.630 3.402 1.00 0.00 H new ATOM 0 HD1 TYR A 61 11.715 -17.352 1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 61 15.301 -15.065 1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.541 -16.806 -0.906 1.00 0.00 H new ATOM 0 HE2 TYR A 61 15.130 -14.519 -0.643 1.00 0.00 H new ATOM 0 HH TYR A 61 13.982 -14.754 -2.516 1.00 0.00 H new ATOM 996 N GLY A 62 12.067 -13.469 3.528 1.00 0.00 N ATOM 997 CA GLY A 62 12.254 -12.055 3.252 1.00 0.00 C ATOM 998 C GLY A 62 12.485 -11.777 1.779 1.00 0.00 C ATOM 999 O GLY A 62 12.942 -12.652 1.044 1.00 0.00 O ATOM 0 H GLY A 62 11.113 -13.807 3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.377 -11.503 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.104 -11.685 3.826 1.00 0.00 H new ATOM 1003 N HIS A 63 12.169 -10.554 1.351 1.00 0.00 N ATOM 1004 CA HIS A 63 12.345 -10.150 -0.045 1.00 0.00 C ATOM 1005 C HIS A 63 11.411 -10.932 -0.968 1.00 0.00 C ATOM 1006 O HIS A 63 11.396 -12.162 -0.955 1.00 0.00 O ATOM 1007 CB HIS A 63 13.802 -10.348 -0.478 1.00 0.00 C ATOM 1008 CG HIS A 63 14.027 -10.163 -1.947 1.00 0.00 C ATOM 1009 ND1 HIS A 63 13.962 -8.922 -2.531 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.312 -11.086 -2.899 1.00 0.00 C ATOM 1011 CE1 HIS A 63 14.207 -9.113 -3.816 1.00 0.00 C ATOM 1012 NE2 HIS A 63 14.425 -10.408 -4.086 1.00 0.00 N ATOM 0 H HIS A 63 11.789 -9.824 1.953 1.00 0.00 H new ATOM 0 HA HIS A 63 12.092 -9.093 -0.123 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.432 -9.646 0.068 1.00 0.00 H new ATOM 0 HB3 HIS A 63 14.122 -11.350 -0.194 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.428 -12.150 -2.751 1.00 0.00 H new ATOM 0 HE1 HIS A 63 14.229 -8.326 -4.555 1.00 0.00 H new ATOM 0 HE2 HIS A 63 14.635 -10.812 -4.999 1.00 0.00 H new ATOM 1020 N GLN A 64 10.637 -10.209 -1.775 1.00 0.00 N ATOM 1021 CA GLN A 64 9.709 -10.838 -2.707 1.00 0.00 C ATOM 1022 C GLN A 64 9.400 -9.920 -3.882 1.00 0.00 C ATOM 1023 O GLN A 64 9.586 -10.292 -5.041 1.00 0.00 O ATOM 1024 CB GLN A 64 8.404 -11.208 -2.005 1.00 0.00 C ATOM 1025 CG GLN A 64 8.310 -12.670 -1.621 1.00 0.00 C ATOM 1026 CD GLN A 64 8.771 -13.598 -2.729 1.00 0.00 C ATOM 1027 OE1 GLN A 64 8.025 -13.886 -3.665 1.00 0.00 O ATOM 1028 NE2 GLN A 64 10.006 -14.075 -2.626 1.00 0.00 N ATOM 0 H GLN A 64 10.635 -9.189 -1.801 1.00 0.00 H new ATOM 0 HA GLN A 64 10.189 -11.742 -3.081 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.300 -10.599 -1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.568 -10.959 -2.658 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.913 -12.847 -0.730 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.279 -12.907 -1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.591 -13.810 -1.833 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.370 -14.706 -3.340 1.00 0.00 H new ATOM 1037 N GLU A 65 8.904 -8.728 -3.573 1.00 0.00 N ATOM 1038 CA GLU A 65 8.543 -7.762 -4.600 1.00 0.00 C ATOM 1039 C GLU A 65 8.816 -6.336 -4.143 1.00 0.00 C ATOM 1040 O GLU A 65 8.620 -6.002 -2.979 1.00 0.00 O ATOM 1041 CB GLU A 65 7.061 -7.911 -4.939 1.00 0.00 C ATOM 1042 CG GLU A 65 6.739 -7.673 -6.405 1.00 0.00 C ATOM 1043 CD GLU A 65 5.466 -8.371 -6.843 1.00 0.00 C ATOM 1044 OE1 GLU A 65 4.463 -8.294 -6.103 1.00 0.00 O ATOM 1045 OE2 GLU A 65 5.473 -8.996 -7.923 1.00 0.00 O ATOM 0 H GLU A 65 8.743 -8.408 -2.618 1.00 0.00 H new ATOM 0 HA GLU A 65 9.153 -7.959 -5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.734 -8.914 -4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.487 -7.210 -4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.641 -6.602 -6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.570 -8.023 -7.017 1.00 0.00 H new ATOM 1052 N VAL A 66 9.247 -5.495 -5.075 1.00 0.00 N ATOM 1053 CA VAL A 66 9.516 -4.096 -4.773 1.00 0.00 C ATOM 1054 C VAL A 66 8.926 -3.199 -5.854 1.00 0.00 C ATOM 1055 O VAL A 66 9.336 -3.258 -7.013 1.00 0.00 O ATOM 1056 CB VAL A 66 11.022 -3.807 -4.642 1.00 0.00 C ATOM 1057 CG1 VAL A 66 11.246 -2.345 -4.283 1.00 0.00 C ATOM 1058 CG2 VAL A 66 11.650 -4.718 -3.599 1.00 0.00 C ATOM 0 H VAL A 66 9.417 -5.758 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 66 9.047 -3.883 -3.813 1.00 0.00 H new ATOM 0 HB VAL A 66 11.501 -4.006 -5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.315 -2.152 -4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.827 -1.710 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.756 -2.124 -3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.715 -4.500 -3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.172 -4.550 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.514 -5.758 -3.895 1.00 0.00 H new ATOM 1068 N THR A 67 7.957 -2.378 -5.472 1.00 0.00 N ATOM 1069 CA THR A 67 7.307 -1.481 -6.418 1.00 0.00 C ATOM 1070 C THR A 67 7.129 -0.083 -5.825 1.00 0.00 C ATOM 1071 O THR A 67 6.486 0.088 -4.790 1.00 0.00 O ATOM 1072 CB THR A 67 5.938 -2.050 -6.860 1.00 0.00 C ATOM 1073 OG1 THR A 67 6.109 -2.874 -8.020 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.938 -0.943 -7.172 1.00 0.00 C ATOM 0 H THR A 67 7.605 -2.314 -4.517 1.00 0.00 H new ATOM 0 HA THR A 67 7.953 -1.400 -7.292 1.00 0.00 H new ATOM 0 HB THR A 67 5.543 -2.640 -6.033 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.240 -3.234 -8.296 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.990 -1.385 -7.478 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.783 -0.332 -6.283 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.325 -0.320 -7.978 1.00 0.00 H new ATOM 1082 N ARG A 68 7.700 0.912 -6.498 1.00 0.00 N ATOM 1083 CA ARG A 68 7.605 2.300 -6.053 1.00 0.00 C ATOM 1084 C ARG A 68 6.699 3.092 -6.989 1.00 0.00 C ATOM 1085 O ARG A 68 6.746 2.908 -8.206 1.00 0.00 O ATOM 1086 CB ARG A 68 8.995 2.941 -6.008 1.00 0.00 C ATOM 1087 CG ARG A 68 10.015 2.132 -5.226 1.00 0.00 C ATOM 1088 CD ARG A 68 11.051 3.029 -4.568 1.00 0.00 C ATOM 1089 NE ARG A 68 12.414 2.671 -4.958 1.00 0.00 N ATOM 1090 CZ ARG A 68 12.936 2.938 -6.152 1.00 0.00 C ATOM 1091 NH1 ARG A 68 12.211 3.557 -7.074 1.00 0.00 N ATOM 1092 NH2 ARG A 68 14.185 2.584 -6.424 1.00 0.00 N ATOM 0 H ARG A 68 8.235 0.783 -7.357 1.00 0.00 H new ATOM 0 HA ARG A 68 7.178 2.314 -5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 68 9.356 3.076 -7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.914 3.933 -5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.506 1.542 -4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.513 1.429 -5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.857 4.067 -4.840 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.954 2.960 -3.484 1.00 0.00 H new ATOM 0 HE ARG A 68 12.998 2.189 -4.275 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.250 3.830 -6.869 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.615 3.760 -7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.745 2.107 -5.718 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.585 2.789 -7.340 1.00 0.00 H new ATOM 1106 N PHE A 69 5.870 3.965 -6.424 1.00 0.00 N ATOM 1107 CA PHE A 69 4.957 4.764 -7.236 1.00 0.00 C ATOM 1108 C PHE A 69 4.532 6.049 -6.537 1.00 0.00 C ATOM 1109 O PHE A 69 4.184 6.045 -5.359 1.00 0.00 O ATOM 1110 CB PHE A 69 3.718 3.939 -7.607 1.00 0.00 C ATOM 1111 CG PHE A 69 3.038 3.290 -6.432 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.129 3.996 -5.661 1.00 0.00 C ATOM 1113 CD2 PHE A 69 3.304 1.970 -6.105 1.00 0.00 C ATOM 1114 CE1 PHE A 69 1.499 3.401 -4.585 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.676 1.368 -5.030 1.00 0.00 C ATOM 1116 CZ PHE A 69 1.772 2.083 -4.270 1.00 0.00 C ATOM 0 H PHE A 69 5.811 4.136 -5.420 1.00 0.00 H new ATOM 0 HA PHE A 69 5.496 5.046 -8.140 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.003 4.586 -8.115 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.009 3.165 -8.317 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.910 5.025 -5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.010 1.405 -6.696 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.795 3.965 -3.991 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.893 0.339 -4.785 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.279 1.614 -3.431 1.00 0.00 H new ATOM 1126 N ASP A 70 4.536 7.144 -7.290 1.00 0.00 N ATOM 1127 CA ASP A 70 4.120 8.436 -6.769 1.00 0.00 C ATOM 1128 C ASP A 70 2.656 8.661 -7.130 1.00 0.00 C ATOM 1129 O ASP A 70 2.234 8.356 -8.244 1.00 0.00 O ATOM 1130 CB ASP A 70 4.991 9.556 -7.345 1.00 0.00 C ATOM 1131 CG ASP A 70 4.688 9.835 -8.803 1.00 0.00 C ATOM 1132 OD1 ASP A 70 5.229 9.116 -9.671 1.00 0.00 O ATOM 1133 OD2 ASP A 70 3.911 10.773 -9.080 1.00 0.00 O ATOM 0 H ASP A 70 4.825 7.159 -8.268 1.00 0.00 H new ATOM 0 HA ASP A 70 4.238 8.447 -5.685 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.838 10.466 -6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.042 9.285 -7.241 1.00 0.00 H new ATOM 1138 N PHE A 71 1.878 9.176 -6.188 1.00 0.00 N ATOM 1139 CA PHE A 71 0.465 9.410 -6.427 1.00 0.00 C ATOM 1140 C PHE A 71 0.035 10.706 -5.773 1.00 0.00 C ATOM 1141 O PHE A 71 0.760 11.259 -4.954 1.00 0.00 O ATOM 1142 CB PHE A 71 -0.372 8.225 -5.925 1.00 0.00 C ATOM 1143 CG PHE A 71 -0.314 7.997 -4.438 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -1.068 8.771 -3.566 1.00 0.00 C ATOM 1145 CD2 PHE A 71 0.488 6.996 -3.914 1.00 0.00 C ATOM 1146 CE1 PHE A 71 -1.017 8.551 -2.202 1.00 0.00 C ATOM 1147 CE2 PHE A 71 0.542 6.771 -2.552 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.212 7.549 -1.695 1.00 0.00 C ATOM 0 H PHE A 71 2.201 9.438 -5.257 1.00 0.00 H new ATOM 0 HA PHE A 71 0.298 9.500 -7.500 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.411 8.384 -6.214 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.035 7.320 -6.431 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.701 9.553 -3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.079 6.384 -4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.606 9.162 -1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.173 5.988 -2.158 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.172 7.374 -0.630 1.00 0.00 H new ATOM 1158 N THR A 72 -1.132 11.199 -6.143 1.00 0.00 N ATOM 1159 CA THR A 72 -1.617 12.442 -5.586 1.00 0.00 C ATOM 1160 C THR A 72 -2.605 12.174 -4.476 1.00 0.00 C ATOM 1161 O THR A 72 -3.065 11.045 -4.297 1.00 0.00 O ATOM 1162 CB THR A 72 -2.274 13.328 -6.656 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.188 12.555 -7.443 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.214 13.943 -7.554 1.00 0.00 C ATOM 0 H THR A 72 -1.755 10.760 -6.821 1.00 0.00 H new ATOM 0 HA THR A 72 -0.754 12.974 -5.186 1.00 0.00 H new ATOM 0 HB THR A 72 -2.822 14.127 -6.157 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.603 13.129 -8.121 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.693 14.568 -8.307 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.538 14.552 -6.954 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.649 13.151 -8.046 1.00 0.00 H new