USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 636 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 68 CYS SG : rot -127:sc=-0.00796 USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= -0.163 USER MOD Set 2.1: A 49 SER OG : rot -80:sc= 0.958 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -4.63! C(o=-3.7!,f=-13!) USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 24 GLN : amide:sc= -1.93! C(o=-1.9!,f=-1.6!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -143:sc= -0.975 USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= 0.591 (180deg=0.0707!) USER MOD Single : A 16 HIS : no HD1:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 17 MET CE :methyl 154:sc= -5.12! (180deg=-10.2!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -0.803 (180deg=-1.39) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0.142 (180deg=0.0767) USER MOD Single : A 40 SER OG : rot 90:sc= 0.148 USER MOD Single : A 41 SER OG : rot 16:sc= 0.302 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.34! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0.102 USER MOD Single : A 69 SER OG : rot -83:sc= -5.71! USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.8! USER MOD Single : A 72 GLN : amide:sc= -0.738 K(o=-0.74,f=-2.2!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -5.41 F(o=-9.1!,f=-5.4) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.88! C(o=-2.9!,f=-3.6!) USER MOD Single : A 84 SER OG : rot -22:sc= 1.05 USER MOD Single : A 85 THR OG1 : rot -50:sc= -0.0594! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N GLU A 11 -2.851 3.642 -12.125 1.00 0.00 N ATOM 151 CA GLU A 11 -3.687 4.292 -11.073 1.00 0.00 C ATOM 152 C GLU A 11 -3.152 3.956 -9.681 1.00 0.00 C ATOM 153 O GLU A 11 -2.941 4.826 -8.858 1.00 0.00 O ATOM 154 CB GLU A 11 -5.083 3.698 -11.244 1.00 0.00 C ATOM 155 CG GLU A 11 -6.134 4.763 -10.932 1.00 0.00 C ATOM 156 CD GLU A 11 -6.273 5.712 -12.125 1.00 0.00 C ATOM 157 OE1 GLU A 11 -6.662 5.248 -13.184 1.00 0.00 O ATOM 158 OE2 GLU A 11 -5.988 6.886 -11.958 1.00 0.00 O ATOM 0 HA GLU A 11 -3.683 5.378 -11.171 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.212 3.333 -12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.209 2.842 -10.580 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.092 4.291 -10.717 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.847 5.322 -10.041 1.00 0.00 H new ATOM 165 N TRP A 12 -2.950 2.696 -9.407 1.00 0.00 N ATOM 166 CA TRP A 12 -2.451 2.288 -8.063 1.00 0.00 C ATOM 167 C TRP A 12 -1.149 3.017 -7.710 1.00 0.00 C ATOM 168 O TRP A 12 -0.774 3.102 -6.560 1.00 0.00 O ATOM 169 CB TRP A 12 -2.204 0.781 -8.166 1.00 0.00 C ATOM 170 CG TRP A 12 -1.245 0.502 -9.281 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.593 0.081 -10.518 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.207 0.619 -9.282 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.447 -0.068 -11.279 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.688 0.251 -10.560 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.144 1.003 -8.306 1.00 0.00 C ATOM 176 CZ2 TRP A 12 2.051 0.265 -10.861 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.516 1.019 -8.605 1.00 0.00 C ATOM 178 CH2 TRP A 12 2.969 0.651 -9.879 1.00 0.00 C ATOM 0 H TRP A 12 -3.110 1.928 -10.059 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.167 2.538 -7.280 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.803 0.403 -7.225 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.145 0.260 -8.344 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.601 -0.108 -10.857 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.441 -0.376 -12.251 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.806 1.287 -7.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.394 -0.020 -11.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.227 1.317 -7.848 1.00 0.00 H new ATOM 0 HH2 TRP A 12 4.026 0.665 -10.102 1.00 0.00 H new ATOM 189 N TYR A 13 -0.452 3.537 -8.684 1.00 0.00 N ATOM 190 CA TYR A 13 0.828 4.244 -8.383 1.00 0.00 C ATOM 191 C TYR A 13 0.559 5.693 -7.968 1.00 0.00 C ATOM 192 O TYR A 13 -0.128 6.428 -8.649 1.00 0.00 O ATOM 193 CB TYR A 13 1.622 4.201 -9.688 1.00 0.00 C ATOM 194 CG TYR A 13 2.990 4.803 -9.464 1.00 0.00 C ATOM 195 CD1 TYR A 13 3.892 4.184 -8.592 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.353 5.981 -10.129 1.00 0.00 C ATOM 197 CE1 TYR A 13 5.159 4.743 -8.384 1.00 0.00 C ATOM 198 CE2 TYR A 13 4.620 6.539 -9.921 1.00 0.00 C ATOM 199 CZ TYR A 13 5.523 5.921 -9.049 1.00 0.00 C ATOM 200 OH TYR A 13 6.772 6.471 -8.843 1.00 0.00 O ATOM 0 H TYR A 13 -0.711 3.504 -9.670 1.00 0.00 H new ATOM 0 HA TYR A 13 1.367 3.777 -7.559 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.718 3.172 -10.034 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.093 4.751 -10.466 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.611 3.276 -8.080 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.656 6.459 -10.802 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.856 4.266 -7.711 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.901 7.447 -10.434 1.00 0.00 H new ATOM 0 HH TYR A 13 6.864 7.285 -9.381 1.00 0.00 H new ATOM 210 N SER A 14 1.105 6.107 -6.855 1.00 0.00 N ATOM 211 CA SER A 14 0.895 7.508 -6.389 1.00 0.00 C ATOM 212 C SER A 14 2.239 8.149 -6.035 1.00 0.00 C ATOM 213 O SER A 14 3.035 7.588 -5.309 1.00 0.00 O ATOM 214 CB SER A 14 0.015 7.395 -5.147 1.00 0.00 C ATOM 215 OG SER A 14 -0.925 6.342 -5.327 1.00 0.00 O ATOM 0 H SER A 14 1.689 5.533 -6.247 1.00 0.00 H new ATOM 0 HA SER A 14 0.432 8.130 -7.155 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.630 7.202 -4.268 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.506 8.336 -4.970 1.00 0.00 H new ATOM 0 HG SER A 14 -1.780 6.594 -4.920 1.00 0.00 H new ATOM 221 N LYS A 15 2.499 9.311 -6.562 1.00 0.00 N ATOM 222 CA LYS A 15 3.798 9.993 -6.281 1.00 0.00 C ATOM 223 C LYS A 15 3.849 10.579 -4.853 1.00 0.00 C ATOM 224 O LYS A 15 3.329 11.632 -4.568 1.00 0.00 O ATOM 225 CB LYS A 15 3.925 11.080 -7.368 1.00 0.00 C ATOM 226 CG LYS A 15 3.154 12.357 -6.994 1.00 0.00 C ATOM 227 CD LYS A 15 1.723 12.005 -6.581 1.00 0.00 C ATOM 228 CE LYS A 15 1.102 13.181 -5.827 1.00 0.00 C ATOM 229 NZ LYS A 15 1.287 12.837 -4.388 1.00 0.00 N ATOM 0 H LYS A 15 1.867 9.822 -7.178 1.00 0.00 H new ATOM 0 HA LYS A 15 4.635 9.296 -6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.977 11.322 -7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.548 10.693 -8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.661 12.871 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.138 13.043 -7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.127 11.770 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.724 11.116 -5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.596 14.120 -6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.047 13.300 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.194 13.697 -3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.564 12.147 -4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.232 12.427 -4.248 1.00 0.00 H new ATOM 243 N HIS A 16 4.495 9.891 -3.955 1.00 0.00 N ATOM 244 CA HIS A 16 4.611 10.381 -2.550 1.00 0.00 C ATOM 245 C HIS A 16 3.228 10.601 -1.941 1.00 0.00 C ATOM 246 O HIS A 16 2.936 11.648 -1.396 1.00 0.00 O ATOM 247 CB HIS A 16 5.381 11.701 -2.641 1.00 0.00 C ATOM 248 CG HIS A 16 6.739 11.454 -3.238 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.875 11.313 -2.457 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.160 11.323 -4.538 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.915 11.106 -3.286 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.534 11.103 -4.567 1.00 0.00 N ATOM 0 H HIS A 16 4.954 8.998 -4.135 1.00 0.00 H new ATOM 0 HA HIS A 16 5.121 9.661 -1.911 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.828 12.414 -3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.483 12.143 -1.650 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.521 11.382 -5.407 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.933 10.960 -2.956 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.123 10.968 -5.389 1.00 0.00 H new ATOM 260 N MET A 17 2.379 9.616 -2.022 1.00 0.00 N ATOM 261 CA MET A 17 1.013 9.757 -1.438 1.00 0.00 C ATOM 262 C MET A 17 1.073 9.516 0.073 1.00 0.00 C ATOM 263 O MET A 17 1.953 8.837 0.567 1.00 0.00 O ATOM 264 CB MET A 17 0.171 8.682 -2.125 1.00 0.00 C ATOM 265 CG MET A 17 -1.257 8.717 -1.576 1.00 0.00 C ATOM 266 SD MET A 17 -2.197 7.321 -2.245 1.00 0.00 S ATOM 267 CE MET A 17 -1.171 6.002 -1.550 1.00 0.00 C ATOM 0 H MET A 17 2.570 8.718 -2.467 1.00 0.00 H new ATOM 0 HA MET A 17 0.593 10.751 -1.590 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.161 8.847 -3.202 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.611 7.699 -1.958 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.240 8.669 -0.487 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.739 9.656 -1.847 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.771 5.100 -1.429 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.338 5.796 -2.222 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.785 6.314 -0.579 1.00 0.00 H new ATOM 277 N THR A 18 0.153 10.074 0.809 1.00 0.00 N ATOM 278 CA THR A 18 0.165 9.889 2.290 1.00 0.00 C ATOM 279 C THR A 18 -0.640 8.652 2.693 1.00 0.00 C ATOM 280 O THR A 18 -1.695 8.381 2.151 1.00 0.00 O ATOM 281 CB THR A 18 -0.485 11.152 2.849 1.00 0.00 C ATOM 282 OG1 THR A 18 0.056 12.292 2.195 1.00 0.00 O ATOM 283 CG2 THR A 18 -0.210 11.242 4.348 1.00 0.00 C ATOM 0 H THR A 18 -0.608 10.651 0.450 1.00 0.00 H new ATOM 0 HA THR A 18 1.175 9.739 2.671 1.00 0.00 H new ATOM 0 HB THR A 18 -1.561 11.115 2.679 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.362 13.103 2.552 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.673 12.143 4.749 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.626 10.367 4.847 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.866 11.280 4.519 1.00 0.00 H new ATOM 291 N ARG A 19 -0.149 7.906 3.650 1.00 0.00 N ATOM 292 CA ARG A 19 -0.878 6.685 4.117 1.00 0.00 C ATOM 293 C ARG A 19 -2.347 7.014 4.389 1.00 0.00 C ATOM 294 O ARG A 19 -3.246 6.255 4.074 1.00 0.00 O ATOM 295 CB ARG A 19 -0.177 6.292 5.425 1.00 0.00 C ATOM 296 CG ARG A 19 -0.434 7.362 6.500 1.00 0.00 C ATOM 297 CD ARG A 19 0.475 7.109 7.704 1.00 0.00 C ATOM 298 NE ARG A 19 -0.368 7.416 8.893 1.00 0.00 N ATOM 299 CZ ARG A 19 -0.386 8.625 9.386 1.00 0.00 C ATOM 300 NH1 ARG A 19 0.733 9.215 9.706 1.00 0.00 N ATOM 301 NH2 ARG A 19 -1.522 9.243 9.557 1.00 0.00 N ATOM 0 H ARG A 19 0.731 8.091 4.132 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.861 5.886 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.544 5.325 5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.894 6.185 5.255 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.245 8.355 6.092 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.479 7.338 6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.826 6.077 7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.359 7.745 7.672 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.931 6.682 9.322 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.621 8.732 9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.720 10.159 10.091 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.396 8.782 9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.536 10.187 9.942 1.00 0.00 H new ATOM 315 N SER A 20 -2.581 8.150 4.977 1.00 0.00 N ATOM 316 CA SER A 20 -3.966 8.566 5.298 1.00 0.00 C ATOM 317 C SER A 20 -4.708 8.907 4.006 1.00 0.00 C ATOM 318 O SER A 20 -5.862 8.566 3.836 1.00 0.00 O ATOM 319 CB SER A 20 -3.782 9.784 6.204 1.00 0.00 C ATOM 320 OG SER A 20 -4.614 10.850 5.761 1.00 0.00 O ATOM 0 H SER A 20 -1.859 8.816 5.252 1.00 0.00 H new ATOM 0 HA SER A 20 -4.561 7.795 5.788 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.029 9.523 7.233 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.738 10.099 6.196 1.00 0.00 H new ATOM 0 HG SER A 20 -4.492 11.626 6.347 1.00 0.00 H new ATOM 326 N GLN A 21 -4.048 9.555 3.082 1.00 0.00 N ATOM 327 CA GLN A 21 -4.715 9.886 1.794 1.00 0.00 C ATOM 328 C GLN A 21 -5.146 8.592 1.114 1.00 0.00 C ATOM 329 O GLN A 21 -6.240 8.492 0.596 1.00 0.00 O ATOM 330 CB GLN A 21 -3.660 10.615 0.963 1.00 0.00 C ATOM 331 CG GLN A 21 -3.511 12.050 1.477 1.00 0.00 C ATOM 332 CD GLN A 21 -4.353 12.993 0.616 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.536 12.612 0.219 1.00 0.00 O flip ATOM 334 NE2 GLN A 21 -3.930 14.087 0.301 1.00 0.00 N flip ATOM 0 H GLN A 21 -3.080 9.867 3.165 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.604 10.503 1.923 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.705 10.093 1.028 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.949 10.621 -0.088 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.830 12.109 2.518 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.464 12.351 1.447 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.005 14.385 0.611 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.500 14.708 -0.274 1.00 0.00 H new ATOM 343 N ALA A 22 -4.306 7.588 1.132 1.00 0.00 N ATOM 344 CA ALA A 22 -4.693 6.295 0.509 1.00 0.00 C ATOM 345 C ALA A 22 -5.913 5.750 1.240 1.00 0.00 C ATOM 346 O ALA A 22 -6.869 5.332 0.631 1.00 0.00 O ATOM 347 CB ALA A 22 -3.487 5.365 0.683 1.00 0.00 C ATOM 0 H ALA A 22 -3.376 7.611 1.549 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.949 6.394 -0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.711 4.393 0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.619 5.798 0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.273 5.242 1.745 1.00 0.00 H new ATOM 353 N GLU A 23 -5.888 5.774 2.546 1.00 0.00 N ATOM 354 CA GLU A 23 -7.059 5.273 3.326 1.00 0.00 C ATOM 355 C GLU A 23 -8.340 5.983 2.885 1.00 0.00 C ATOM 356 O GLU A 23 -9.314 5.352 2.526 1.00 0.00 O ATOM 357 CB GLU A 23 -6.750 5.615 4.786 1.00 0.00 C ATOM 358 CG GLU A 23 -5.673 4.676 5.324 1.00 0.00 C ATOM 359 CD GLU A 23 -5.445 4.957 6.811 1.00 0.00 C ATOM 360 OE1 GLU A 23 -5.133 6.090 7.139 1.00 0.00 O ATOM 361 OE2 GLU A 23 -5.584 4.034 7.596 1.00 0.00 O ATOM 0 H GLU A 23 -5.109 6.118 3.107 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.214 4.204 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.414 6.649 4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.654 5.528 5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.976 3.639 5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.745 4.816 4.770 1.00 0.00 H new ATOM 368 N GLN A 24 -8.355 7.290 2.925 1.00 0.00 N ATOM 369 CA GLN A 24 -9.588 8.018 2.525 1.00 0.00 C ATOM 370 C GLN A 24 -9.902 7.789 1.047 1.00 0.00 C ATOM 371 O GLN A 24 -11.022 7.466 0.704 1.00 0.00 O ATOM 372 CB GLN A 24 -9.331 9.502 2.820 1.00 0.00 C ATOM 373 CG GLN A 24 -8.102 10.000 2.056 1.00 0.00 C ATOM 374 CD GLN A 24 -7.789 11.434 2.484 1.00 0.00 C ATOM 375 OE1 GLN A 24 -8.273 12.377 1.890 1.00 0.00 O ATOM 376 NE2 GLN A 24 -6.995 11.641 3.498 1.00 0.00 N ATOM 0 H GLN A 24 -7.573 7.877 3.215 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.455 7.659 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.204 10.091 2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.183 9.645 3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.248 9.353 2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.286 9.960 0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.588 10.850 3.997 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.781 12.594 3.792 1.00 0.00 H new ATOM 385 N LEU A 25 -8.948 7.933 0.161 1.00 0.00 N ATOM 386 CA LEU A 25 -9.275 7.695 -1.272 1.00 0.00 C ATOM 387 C LEU A 25 -9.548 6.206 -1.492 1.00 0.00 C ATOM 388 O LEU A 25 -10.250 5.831 -2.411 1.00 0.00 O ATOM 389 CB LEU A 25 -8.079 8.206 -2.085 1.00 0.00 C ATOM 390 CG LEU A 25 -6.842 7.350 -1.809 1.00 0.00 C ATOM 391 CD1 LEU A 25 -6.850 6.132 -2.734 1.00 0.00 C ATOM 392 CD2 LEU A 25 -5.579 8.187 -2.064 1.00 0.00 C ATOM 0 H LEU A 25 -7.984 8.198 0.362 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.175 8.222 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.317 8.181 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.874 9.245 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.851 7.014 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.969 5.521 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.748 5.542 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.838 6.464 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.695 7.580 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.567 8.521 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.578 9.054 -1.403 1.00 0.00 H new ATOM 404 N LEU A 26 -9.050 5.353 -0.628 1.00 0.00 N ATOM 405 CA LEU A 26 -9.355 3.904 -0.783 1.00 0.00 C ATOM 406 C LEU A 26 -10.799 3.701 -0.337 1.00 0.00 C ATOM 407 O LEU A 26 -11.648 3.303 -1.112 1.00 0.00 O ATOM 408 CB LEU A 26 -8.391 3.158 0.143 1.00 0.00 C ATOM 409 CG LEU A 26 -7.204 2.627 -0.669 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.118 2.105 0.280 1.00 0.00 C ATOM 411 CD2 LEU A 26 -7.675 1.486 -1.576 1.00 0.00 C ATOM 0 H LEU A 26 -8.455 5.596 0.164 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.240 3.544 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.037 3.825 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.907 2.333 0.633 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.796 3.434 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.277 1.729 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.779 2.915 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.525 1.300 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.831 1.108 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.086 0.682 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.444 1.855 -2.255 1.00 0.00 H new ATOM 423 N LYS A 27 -11.096 4.015 0.901 1.00 0.00 N ATOM 424 CA LYS A 27 -12.501 3.884 1.383 1.00 0.00 C ATOM 425 C LYS A 27 -13.426 4.679 0.457 1.00 0.00 C ATOM 426 O LYS A 27 -14.520 4.256 0.136 1.00 0.00 O ATOM 427 CB LYS A 27 -12.495 4.498 2.785 1.00 0.00 C ATOM 428 CG LYS A 27 -13.219 3.567 3.762 1.00 0.00 C ATOM 429 CD LYS A 27 -14.370 4.322 4.426 1.00 0.00 C ATOM 430 CE LYS A 27 -15.435 3.324 4.888 1.00 0.00 C ATOM 431 NZ LYS A 27 -15.147 3.096 6.332 1.00 0.00 N ATOM 0 H LYS A 27 -10.428 4.354 1.593 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.851 2.852 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.469 4.661 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.983 5.472 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.600 2.693 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.523 3.204 4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.001 4.896 5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.804 5.035 3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.439 3.723 4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.377 2.394 4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.643 2.241 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.123 2.974 6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.474 3.914 6.885 1.00 0.00 H new ATOM 445 N GLN A 28 -12.981 5.830 0.023 1.00 0.00 N ATOM 446 CA GLN A 28 -13.817 6.670 -0.890 1.00 0.00 C ATOM 447 C GLN A 28 -14.204 5.878 -2.147 1.00 0.00 C ATOM 448 O GLN A 28 -15.365 5.801 -2.498 1.00 0.00 O ATOM 449 CB GLN A 28 -12.935 7.867 -1.254 1.00 0.00 C ATOM 450 CG GLN A 28 -13.716 8.827 -2.153 1.00 0.00 C ATOM 451 CD GLN A 28 -14.346 9.930 -1.299 1.00 0.00 C ATOM 452 OE1 GLN A 28 -15.545 9.958 -1.110 1.00 0.00 O ATOM 453 NE2 GLN A 28 -13.581 10.846 -0.770 1.00 0.00 N ATOM 0 H GLN A 28 -12.072 6.227 0.262 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.749 6.982 -0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.612 8.382 -0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.035 7.526 -1.765 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.052 9.265 -2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.491 8.285 -2.695 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.574 10.823 -0.928 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.991 11.585 -0.198 1.00 0.00 H new ATOM 462 N GLU A 29 -13.251 5.281 -2.825 1.00 0.00 N ATOM 463 CA GLU A 29 -13.602 4.492 -4.048 1.00 0.00 C ATOM 464 C GLU A 29 -14.549 3.362 -3.640 1.00 0.00 C ATOM 465 O GLU A 29 -15.542 3.102 -4.291 1.00 0.00 O ATOM 466 CB GLU A 29 -12.272 3.954 -4.603 1.00 0.00 C ATOM 467 CG GLU A 29 -12.281 3.975 -6.142 1.00 0.00 C ATOM 468 CD GLU A 29 -13.669 3.617 -6.683 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.214 2.620 -6.246 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.161 4.349 -7.526 1.00 0.00 O ATOM 0 H GLU A 29 -12.259 5.305 -2.588 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.108 5.084 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.445 4.558 -4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.109 2.936 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.991 4.963 -6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.544 3.269 -6.524 1.00 0.00 H new ATOM 477 N GLY A 30 -14.277 2.726 -2.532 1.00 0.00 N ATOM 478 CA GLY A 30 -15.186 1.657 -2.047 1.00 0.00 C ATOM 479 C GLY A 30 -14.858 0.302 -2.686 1.00 0.00 C ATOM 480 O GLY A 30 -15.661 -0.611 -2.653 1.00 0.00 O ATOM 0 H GLY A 30 -13.463 2.903 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.108 1.577 -0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.218 1.926 -2.273 1.00 0.00 H new ATOM 484 N LYS A 31 -13.695 0.151 -3.258 1.00 0.00 N ATOM 485 CA LYS A 31 -13.338 -1.160 -3.883 1.00 0.00 C ATOM 486 C LYS A 31 -12.802 -2.126 -2.823 1.00 0.00 C ATOM 487 O LYS A 31 -11.811 -1.852 -2.175 1.00 0.00 O ATOM 488 CB LYS A 31 -12.238 -0.834 -4.895 1.00 0.00 C ATOM 489 CG LYS A 31 -12.715 0.263 -5.860 1.00 0.00 C ATOM 490 CD LYS A 31 -14.122 -0.055 -6.386 1.00 0.00 C ATOM 491 CE LYS A 31 -14.157 -1.472 -6.968 1.00 0.00 C ATOM 492 NZ LYS A 31 -14.915 -1.345 -8.244 1.00 0.00 N ATOM 0 H LYS A 31 -12.978 0.873 -3.321 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.200 -1.636 -4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.339 -0.504 -4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.971 -1.730 -5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.721 1.226 -5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.019 0.348 -6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.849 0.033 -5.579 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.405 0.668 -7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.150 -1.852 -7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.646 -2.167 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.938 -2.266 -8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.887 -1.036 -8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.450 -0.644 -8.856 1.00 0.00 H new ATOM 506 N GLU A 32 -13.437 -3.257 -2.640 1.00 0.00 N ATOM 507 CA GLU A 32 -12.929 -4.220 -1.617 1.00 0.00 C ATOM 508 C GLU A 32 -11.616 -4.839 -2.086 1.00 0.00 C ATOM 509 O GLU A 32 -11.598 -5.801 -2.828 1.00 0.00 O ATOM 510 CB GLU A 32 -13.993 -5.304 -1.446 1.00 0.00 C ATOM 511 CG GLU A 32 -14.428 -5.842 -2.814 1.00 0.00 C ATOM 512 CD GLU A 32 -14.520 -7.368 -2.760 1.00 0.00 C ATOM 513 OE1 GLU A 32 -15.405 -7.865 -2.083 1.00 0.00 O ATOM 514 OE2 GLU A 32 -13.704 -8.013 -3.397 1.00 0.00 O ATOM 0 H GLU A 32 -14.272 -3.552 -3.146 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.740 -3.714 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.599 -6.117 -0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.855 -4.897 -0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.393 -5.419 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.714 -5.538 -3.579 1.00 0.00 H new ATOM 521 N GLY A 33 -10.519 -4.292 -1.652 1.00 0.00 N ATOM 522 CA GLY A 33 -9.202 -4.829 -2.056 1.00 0.00 C ATOM 523 C GLY A 33 -8.465 -3.802 -2.915 1.00 0.00 C ATOM 524 O GLY A 33 -7.585 -4.145 -3.676 1.00 0.00 O ATOM 0 H GLY A 33 -10.482 -3.486 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.610 -5.069 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.333 -5.756 -2.614 1.00 0.00 H new ATOM 528 N GLY A 34 -8.805 -2.540 -2.801 1.00 0.00 N ATOM 529 CA GLY A 34 -8.107 -1.504 -3.617 1.00 0.00 C ATOM 530 C GLY A 34 -6.603 -1.651 -3.422 1.00 0.00 C ATOM 531 O GLY A 34 -6.154 -2.128 -2.400 1.00 0.00 O ATOM 0 H GLY A 34 -9.533 -2.187 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.363 -1.618 -4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.430 -0.507 -3.317 1.00 0.00 H new ATOM 535 N PHE A 35 -5.824 -1.271 -4.397 1.00 0.00 N ATOM 536 CA PHE A 35 -4.347 -1.417 -4.264 1.00 0.00 C ATOM 537 C PHE A 35 -3.620 -0.158 -4.750 1.00 0.00 C ATOM 538 O PHE A 35 -3.794 0.275 -5.873 1.00 0.00 O ATOM 539 CB PHE A 35 -4.005 -2.610 -5.157 1.00 0.00 C ATOM 540 CG PHE A 35 -2.526 -2.889 -5.084 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.630 -2.092 -5.806 1.00 0.00 C ATOM 542 CD2 PHE A 35 -2.049 -3.945 -4.300 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.256 -2.353 -5.746 1.00 0.00 C ATOM 544 CE2 PHE A 35 -0.676 -4.205 -4.237 1.00 0.00 C ATOM 545 CZ PHE A 35 0.221 -3.409 -4.961 1.00 0.00 C ATOM 0 H PHE A 35 -6.145 -0.867 -5.277 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.040 -1.562 -3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.567 -3.488 -4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.296 -2.401 -6.187 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.999 -1.276 -6.409 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.741 -4.560 -3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.435 -1.740 -6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.308 -5.019 -3.630 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.281 -3.610 -4.913 1.00 0.00 H new ATOM 555 N ILE A 36 -2.794 0.422 -3.917 1.00 0.00 N ATOM 556 CA ILE A 36 -2.041 1.641 -4.334 1.00 0.00 C ATOM 557 C ILE A 36 -0.576 1.521 -3.908 1.00 0.00 C ATOM 558 O ILE A 36 -0.226 0.688 -3.095 1.00 0.00 O ATOM 559 CB ILE A 36 -2.712 2.801 -3.601 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.188 2.868 -3.993 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.023 4.113 -3.980 1.00 0.00 C ATOM 562 CD1 ILE A 36 -4.877 3.965 -3.184 1.00 0.00 C ATOM 0 H ILE A 36 -2.609 0.103 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.055 1.782 -5.415 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.629 2.646 -2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.284 3.072 -5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.669 1.908 -3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.502 4.940 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.971 4.066 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.104 4.269 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.930 4.015 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.792 3.741 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.401 4.923 -3.392 1.00 0.00 H new ATOM 574 N VAL A 37 0.279 2.348 -4.445 1.00 0.00 N ATOM 575 CA VAL A 37 1.719 2.287 -4.066 1.00 0.00 C ATOM 576 C VAL A 37 2.348 3.679 -4.157 1.00 0.00 C ATOM 577 O VAL A 37 1.996 4.473 -5.010 1.00 0.00 O ATOM 578 CB VAL A 37 2.370 1.341 -5.078 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.859 1.194 -4.754 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.699 -0.033 -5.001 1.00 0.00 C ATOM 0 H VAL A 37 0.042 3.065 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 37 1.855 1.938 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 37 2.251 1.749 -6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.323 0.520 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.341 2.170 -4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.974 0.787 -3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.163 -0.706 -5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.817 -0.440 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.638 0.067 -5.229 1.00 0.00 H new ATOM 590 N ARG A 38 3.277 3.982 -3.290 1.00 0.00 N ATOM 591 CA ARG A 38 3.928 5.325 -3.336 1.00 0.00 C ATOM 592 C ARG A 38 5.408 5.214 -2.960 1.00 0.00 C ATOM 593 O ARG A 38 5.817 4.297 -2.274 1.00 0.00 O ATOM 594 CB ARG A 38 3.172 6.182 -2.317 1.00 0.00 C ATOM 595 CG ARG A 38 3.249 5.543 -0.926 1.00 0.00 C ATOM 596 CD ARG A 38 4.479 6.075 -0.188 1.00 0.00 C ATOM 597 NE ARG A 38 4.168 5.889 1.257 1.00 0.00 N ATOM 598 CZ ARG A 38 4.491 6.814 2.117 1.00 0.00 C ATOM 599 NH1 ARG A 38 4.137 8.052 1.908 1.00 0.00 N ATOM 600 NH2 ARG A 38 5.169 6.502 3.188 1.00 0.00 N ATOM 0 H ARG A 38 3.613 3.361 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 38 3.889 5.762 -4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.597 7.185 -2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.130 6.286 -2.620 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.346 5.769 -0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.306 4.458 -1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.378 5.528 -0.472 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.657 7.125 -0.422 1.00 0.00 H new ATOM 0 HE ARG A 38 3.703 5.038 1.573 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.607 8.297 1.071 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.390 8.775 2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.446 5.534 3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.422 7.226 3.861 1.00 0.00 H new ATOM 614 N ASP A 39 6.213 6.141 -3.410 1.00 0.00 N ATOM 615 CA ASP A 39 7.670 6.091 -3.086 1.00 0.00 C ATOM 616 C ASP A 39 7.912 6.540 -1.641 1.00 0.00 C ATOM 617 O ASP A 39 7.077 7.181 -1.031 1.00 0.00 O ATOM 618 CB ASP A 39 8.329 7.063 -4.067 1.00 0.00 C ATOM 619 CG ASP A 39 9.794 6.672 -4.267 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.410 6.247 -3.304 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.275 6.805 -5.381 1.00 0.00 O ATOM 0 H ASP A 39 5.925 6.931 -3.988 1.00 0.00 H new ATOM 0 HA ASP A 39 8.076 5.083 -3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.803 7.045 -5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.262 8.082 -3.686 1.00 0.00 H new ATOM 626 N SER A 40 9.049 6.206 -1.092 1.00 0.00 N ATOM 627 CA SER A 40 9.353 6.609 0.314 1.00 0.00 C ATOM 628 C SER A 40 10.424 7.706 0.330 1.00 0.00 C ATOM 629 O SER A 40 10.550 8.473 -0.605 1.00 0.00 O ATOM 630 CB SER A 40 9.873 5.338 0.984 1.00 0.00 C ATOM 631 OG SER A 40 10.064 5.583 2.371 1.00 0.00 O ATOM 0 H SER A 40 9.782 5.671 -1.556 1.00 0.00 H new ATOM 0 HA SER A 40 8.481 7.012 0.828 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.165 4.522 0.841 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.812 5.029 0.525 1.00 0.00 H new ATOM 0 HG SER A 40 9.239 5.374 2.857 1.00 0.00 H new ATOM 637 N SER A 41 11.196 7.788 1.385 1.00 0.00 N ATOM 638 CA SER A 41 12.253 8.839 1.455 1.00 0.00 C ATOM 639 C SER A 41 13.464 8.326 2.241 1.00 0.00 C ATOM 640 O SER A 41 14.567 8.272 1.733 1.00 0.00 O ATOM 641 CB SER A 41 11.598 10.010 2.184 1.00 0.00 C ATOM 642 OG SER A 41 10.858 10.788 1.253 1.00 0.00 O ATOM 0 H SER A 41 11.139 7.174 2.198 1.00 0.00 H new ATOM 0 HA SER A 41 12.616 9.124 0.468 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.940 9.641 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.358 10.625 2.666 1.00 0.00 H new ATOM 0 HG SER A 41 10.721 10.272 0.431 1.00 0.00 H new ATOM 648 N LYS A 42 13.267 7.950 3.479 1.00 0.00 N ATOM 649 CA LYS A 42 14.408 7.442 4.302 1.00 0.00 C ATOM 650 C LYS A 42 15.118 6.295 3.576 1.00 0.00 C ATOM 651 O LYS A 42 16.248 6.426 3.147 1.00 0.00 O ATOM 652 CB LYS A 42 13.769 6.944 5.599 1.00 0.00 C ATOM 653 CG LYS A 42 13.091 8.115 6.317 1.00 0.00 C ATOM 654 CD LYS A 42 11.811 7.624 6.998 1.00 0.00 C ATOM 655 CE LYS A 42 12.091 7.344 8.476 1.00 0.00 C ATOM 656 NZ LYS A 42 10.896 7.863 9.198 1.00 0.00 N ATOM 0 H LYS A 42 12.366 7.973 3.956 1.00 0.00 H new ATOM 0 HA LYS A 42 15.158 8.211 4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.038 6.165 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.527 6.499 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.768 8.543 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.856 8.906 5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.025 8.374 6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.450 6.720 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.230 6.278 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.001 7.844 8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.013 7.707 10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.793 8.881 9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.046 7.363 8.867 1.00 0.00 H new ATOM 670 N ALA A 43 14.460 5.176 3.430 1.00 0.00 N ATOM 671 CA ALA A 43 15.091 4.021 2.723 1.00 0.00 C ATOM 672 C ALA A 43 14.874 4.143 1.218 1.00 0.00 C ATOM 673 O ALA A 43 15.504 3.460 0.433 1.00 0.00 O ATOM 674 CB ALA A 43 14.361 2.782 3.243 1.00 0.00 C ATOM 0 H ALA A 43 13.512 5.011 3.769 1.00 0.00 H new ATOM 0 HA ALA A 43 16.165 3.977 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.771 1.891 2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.491 2.709 4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.299 2.861 3.010 1.00 0.00 H new ATOM 680 N GLY A 44 13.957 4.975 0.811 1.00 0.00 N ATOM 681 CA GLY A 44 13.670 5.100 -0.640 1.00 0.00 C ATOM 682 C GLY A 44 12.932 3.834 -1.071 1.00 0.00 C ATOM 683 O GLY A 44 13.014 3.403 -2.204 1.00 0.00 O ATOM 0 H GLY A 44 13.397 5.571 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.063 5.984 -0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.595 5.216 -1.205 1.00 0.00 H new ATOM 687 N LYS A 45 12.217 3.231 -0.153 1.00 0.00 N ATOM 688 CA LYS A 45 11.476 1.983 -0.475 1.00 0.00 C ATOM 689 C LYS A 45 10.072 2.324 -0.981 1.00 0.00 C ATOM 690 O LYS A 45 9.725 3.479 -1.132 1.00 0.00 O ATOM 691 CB LYS A 45 11.401 1.214 0.846 1.00 0.00 C ATOM 692 CG LYS A 45 10.544 1.988 1.854 1.00 0.00 C ATOM 693 CD LYS A 45 11.171 1.886 3.247 1.00 0.00 C ATOM 694 CE LYS A 45 11.082 3.241 3.952 1.00 0.00 C ATOM 695 NZ LYS A 45 11.515 2.974 5.353 1.00 0.00 N ATOM 0 H LYS A 45 12.117 3.555 0.809 1.00 0.00 H new ATOM 0 HA LYS A 45 11.964 1.400 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.975 0.225 0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.403 1.065 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.467 3.033 1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.531 1.586 1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.656 1.125 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.213 1.575 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.726 3.978 3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.067 3.637 3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.481 3.857 5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.879 2.273 5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.487 2.605 5.351 1.00 0.00 H new ATOM 709 N TYR A 46 9.258 1.333 -1.237 1.00 0.00 N ATOM 710 CA TYR A 46 7.876 1.616 -1.729 1.00 0.00 C ATOM 711 C TYR A 46 6.842 1.170 -0.686 1.00 0.00 C ATOM 712 O TYR A 46 7.123 0.355 0.173 1.00 0.00 O ATOM 713 CB TYR A 46 7.713 0.795 -3.017 1.00 0.00 C ATOM 714 CG TYR A 46 8.880 1.023 -3.961 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.604 2.222 -3.924 1.00 0.00 C ATOM 716 CD2 TYR A 46 9.234 0.026 -4.879 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.678 2.422 -4.800 1.00 0.00 C ATOM 718 CE2 TYR A 46 10.308 0.226 -5.755 1.00 0.00 C ATOM 719 CZ TYR A 46 11.029 1.424 -5.715 1.00 0.00 C ATOM 720 OH TYR A 46 12.088 1.621 -6.578 1.00 0.00 O ATOM 0 H TYR A 46 9.488 0.345 -1.128 1.00 0.00 H new ATOM 0 HA TYR A 46 7.724 2.680 -1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.642 -0.264 -2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.782 1.070 -3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.333 2.994 -3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.677 -0.899 -4.911 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.235 3.347 -4.769 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.580 -0.545 -6.461 1.00 0.00 H new ATOM 0 HH TYR A 46 12.198 0.830 -7.146 1.00 0.00 H new ATOM 730 N THR A 47 5.644 1.690 -0.768 1.00 0.00 N ATOM 731 CA THR A 47 4.582 1.291 0.203 1.00 0.00 C ATOM 732 C THR A 47 3.317 0.901 -0.560 1.00 0.00 C ATOM 733 O THR A 47 2.870 1.618 -1.430 1.00 0.00 O ATOM 734 CB THR A 47 4.332 2.529 1.073 1.00 0.00 C ATOM 735 OG1 THR A 47 5.497 2.811 1.835 1.00 0.00 O ATOM 736 CG2 THR A 47 3.150 2.272 2.019 1.00 0.00 C ATOM 0 H THR A 47 5.355 2.375 -1.467 1.00 0.00 H new ATOM 0 HA THR A 47 4.874 0.435 0.811 1.00 0.00 H new ATOM 0 HB THR A 47 4.098 3.379 0.432 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.341 3.603 2.391 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.978 3.155 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.256 2.057 1.434 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.376 1.421 2.661 1.00 0.00 H new ATOM 744 N VAL A 48 2.741 -0.229 -0.245 1.00 0.00 N ATOM 745 CA VAL A 48 1.507 -0.662 -0.968 1.00 0.00 C ATOM 746 C VAL A 48 0.262 -0.384 -0.119 1.00 0.00 C ATOM 747 O VAL A 48 0.047 -1.003 0.904 1.00 0.00 O ATOM 748 CB VAL A 48 1.688 -2.164 -1.191 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.460 -2.730 -1.905 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.930 -2.404 -2.053 1.00 0.00 C ATOM 0 H VAL A 48 3.069 -0.869 0.478 1.00 0.00 H new ATOM 0 HA VAL A 48 1.369 -0.125 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 48 1.808 -2.660 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.592 -3.800 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.427 -2.560 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.338 -2.234 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.061 -3.474 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.807 -1.906 -3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.808 -2.003 -1.546 1.00 0.00 H new ATOM 760 N SER A 49 -0.559 0.540 -0.541 1.00 0.00 N ATOM 761 CA SER A 49 -1.794 0.864 0.233 1.00 0.00 C ATOM 762 C SER A 49 -2.997 0.115 -0.343 1.00 0.00 C ATOM 763 O SER A 49 -3.453 0.412 -1.431 1.00 0.00 O ATOM 764 CB SER A 49 -1.981 2.371 0.061 1.00 0.00 C ATOM 765 OG SER A 49 -1.289 3.054 1.099 1.00 0.00 O ATOM 0 H SER A 49 -0.427 1.087 -1.392 1.00 0.00 H new ATOM 0 HA SER A 49 -1.709 0.574 1.280 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.604 2.687 -0.912 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.041 2.623 0.089 1.00 0.00 H new ATOM 0 HG SER A 49 -1.829 3.040 1.917 1.00 0.00 H new ATOM 771 N VAL A 50 -3.522 -0.848 0.368 1.00 0.00 N ATOM 772 CA VAL A 50 -4.700 -1.595 -0.164 1.00 0.00 C ATOM 773 C VAL A 50 -5.856 -1.564 0.843 1.00 0.00 C ATOM 774 O VAL A 50 -5.646 -1.656 2.038 1.00 0.00 O ATOM 775 CB VAL A 50 -4.210 -3.031 -0.376 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.090 -3.044 -1.418 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.683 -3.601 0.944 1.00 0.00 C ATOM 0 H VAL A 50 -3.190 -1.148 1.285 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.075 -1.155 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.041 -3.643 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.743 -4.067 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.466 -2.647 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.262 -2.427 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.336 -4.622 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.856 -2.988 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.482 -3.599 1.686 1.00 0.00 H new ATOM 787 N PHE A 51 -7.077 -1.429 0.382 1.00 0.00 N ATOM 788 CA PHE A 51 -8.223 -1.394 1.343 1.00 0.00 C ATOM 789 C PHE A 51 -9.400 -2.234 0.831 1.00 0.00 C ATOM 790 O PHE A 51 -9.433 -2.638 -0.309 1.00 0.00 O ATOM 791 CB PHE A 51 -8.616 0.089 1.443 1.00 0.00 C ATOM 792 CG PHE A 51 -10.072 0.273 1.066 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.452 0.249 -0.280 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.042 0.452 2.063 1.00 0.00 C ATOM 795 CE1 PHE A 51 -11.797 0.404 -0.629 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.386 0.603 1.712 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.764 0.580 0.366 1.00 0.00 C ATOM 0 H PHE A 51 -7.327 -1.343 -0.603 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.950 -1.812 2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.448 0.449 2.458 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.984 0.685 0.784 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.707 0.111 -1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.750 0.473 3.103 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -12.090 0.388 -1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.133 0.737 2.480 1.00 0.00 H new ATOM 0 HZ PHE A 51 -13.803 0.698 0.095 1.00 0.00 H new ATOM 807 N ALA A 52 -10.381 -2.462 1.671 1.00 0.00 N ATOM 808 CA ALA A 52 -11.582 -3.238 1.241 1.00 0.00 C ATOM 809 C ALA A 52 -12.738 -3.027 2.219 1.00 0.00 C ATOM 810 O ALA A 52 -12.560 -2.514 3.301 1.00 0.00 O ATOM 811 CB ALA A 52 -11.167 -4.706 1.237 1.00 0.00 C ATOM 0 H ALA A 52 -10.399 -2.142 2.639 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.922 -2.914 0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.012 -5.322 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.340 -4.849 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.852 -4.998 2.239 1.00 0.00 H new ATOM 817 N LYS A 53 -13.923 -3.420 1.842 1.00 0.00 N ATOM 818 CA LYS A 53 -15.095 -3.242 2.745 1.00 0.00 C ATOM 819 C LYS A 53 -15.766 -4.596 3.016 1.00 0.00 C ATOM 820 O LYS A 53 -16.950 -4.761 2.795 1.00 0.00 O ATOM 821 CB LYS A 53 -16.036 -2.331 1.961 1.00 0.00 C ATOM 822 CG LYS A 53 -15.618 -0.875 2.168 1.00 0.00 C ATOM 823 CD LYS A 53 -16.711 0.055 1.641 1.00 0.00 C ATOM 824 CE LYS A 53 -17.927 0.005 2.569 1.00 0.00 C ATOM 825 NZ LYS A 53 -18.981 0.782 1.861 1.00 0.00 N ATOM 0 H LYS A 53 -14.131 -3.858 0.945 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.820 -2.826 3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.005 -2.583 0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.064 -2.477 2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.444 -0.684 3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.679 -0.679 1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.333 1.075 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.999 -0.242 0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.246 -1.022 2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.700 0.442 3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.848 0.794 2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.652 1.757 1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -19.181 0.339 0.942 1.00 0.00 H new ATOM 839 N SER A 54 -15.025 -5.570 3.487 1.00 0.00 N ATOM 840 CA SER A 54 -15.640 -6.907 3.761 1.00 0.00 C ATOM 841 C SER A 54 -14.664 -7.823 4.512 1.00 0.00 C ATOM 842 O SER A 54 -14.143 -8.773 3.963 1.00 0.00 O ATOM 843 CB SER A 54 -15.963 -7.482 2.380 1.00 0.00 C ATOM 844 OG SER A 54 -17.298 -7.974 2.379 1.00 0.00 O ATOM 0 H SER A 54 -14.028 -5.498 3.692 1.00 0.00 H new ATOM 0 HA SER A 54 -16.525 -6.823 4.392 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.845 -6.713 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.267 -8.284 2.135 1.00 0.00 H new ATOM 0 HG SER A 54 -17.510 -8.342 1.496 1.00 0.00 H new ATOM 850 N THR A 55 -14.425 -7.550 5.770 1.00 0.00 N ATOM 851 CA THR A 55 -13.495 -8.404 6.581 1.00 0.00 C ATOM 852 C THR A 55 -13.374 -7.800 7.986 1.00 0.00 C ATOM 853 O THR A 55 -14.363 -7.667 8.681 1.00 0.00 O ATOM 854 CB THR A 55 -12.148 -8.401 5.837 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.145 -8.956 6.676 1.00 0.00 O ATOM 856 CG2 THR A 55 -11.757 -6.973 5.454 1.00 0.00 C ATOM 0 H THR A 55 -14.836 -6.766 6.277 1.00 0.00 H new ATOM 0 HA THR A 55 -13.850 -9.428 6.696 1.00 0.00 H new ATOM 0 HB THR A 55 -12.243 -8.997 4.929 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.287 -8.957 6.203 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.802 -6.986 4.928 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.523 -6.548 4.805 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.667 -6.366 6.355 1.00 0.00 H new ATOM 864 N GLY A 56 -12.194 -7.408 8.417 1.00 0.00 N ATOM 865 CA GLY A 56 -12.070 -6.791 9.773 1.00 0.00 C ATOM 866 C GLY A 56 -13.109 -5.674 9.877 1.00 0.00 C ATOM 867 O GLY A 56 -13.705 -5.448 10.911 1.00 0.00 O ATOM 0 H GLY A 56 -11.323 -7.489 7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.234 -7.539 10.549 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.066 -6.393 9.921 1.00 0.00 H new ATOM 871 N ASP A 57 -13.342 -4.998 8.784 1.00 0.00 N ATOM 872 CA ASP A 57 -14.354 -3.914 8.755 1.00 0.00 C ATOM 873 C ASP A 57 -15.241 -4.107 7.516 1.00 0.00 C ATOM 874 O ASP A 57 -14.834 -3.785 6.418 1.00 0.00 O ATOM 875 CB ASP A 57 -13.549 -2.631 8.626 1.00 0.00 C ATOM 876 CG ASP A 57 -14.255 -1.502 9.379 1.00 0.00 C ATOM 877 OD1 ASP A 57 -14.209 -1.512 10.598 1.00 0.00 O ATOM 878 OD2 ASP A 57 -14.828 -0.648 8.725 1.00 0.00 O ATOM 0 H ASP A 57 -12.863 -5.157 7.898 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.995 -3.901 9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.546 -2.777 9.027 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.436 -2.365 7.575 1.00 0.00 H new ATOM 883 N PRO A 58 -16.416 -4.641 7.716 1.00 0.00 N ATOM 884 CA PRO A 58 -17.341 -4.890 6.584 1.00 0.00 C ATOM 885 C PRO A 58 -17.624 -3.618 5.785 1.00 0.00 C ATOM 886 O PRO A 58 -18.094 -3.676 4.666 1.00 0.00 O ATOM 887 CB PRO A 58 -18.603 -5.379 7.290 1.00 0.00 C ATOM 888 CG PRO A 58 -18.343 -5.423 8.807 1.00 0.00 C ATOM 889 CD PRO A 58 -16.892 -5.016 9.069 1.00 0.00 C ATOM 0 HA PRO A 58 -16.939 -5.594 5.856 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.439 -4.715 7.070 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.878 -6.369 6.926 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.024 -4.749 9.327 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.530 -6.425 9.193 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.824 -4.183 9.769 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.310 -5.835 9.491 1.00 0.00 H new ATOM 897 N GLN A 59 -17.372 -2.475 6.350 1.00 0.00 N ATOM 898 CA GLN A 59 -17.665 -1.210 5.613 1.00 0.00 C ATOM 899 C GLN A 59 -16.435 -0.298 5.501 1.00 0.00 C ATOM 900 O GLN A 59 -16.570 0.909 5.462 1.00 0.00 O ATOM 901 CB GLN A 59 -18.753 -0.523 6.438 1.00 0.00 C ATOM 902 CG GLN A 59 -18.300 -0.432 7.895 1.00 0.00 C ATOM 903 CD GLN A 59 -19.179 0.569 8.646 1.00 0.00 C ATOM 904 OE1 GLN A 59 -18.749 1.663 8.954 1.00 0.00 O ATOM 905 NE2 GLN A 59 -20.403 0.239 8.957 1.00 0.00 N ATOM 0 H GLN A 59 -16.979 -2.357 7.284 1.00 0.00 H new ATOM 0 HA GLN A 59 -17.970 -1.419 4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -18.950 0.474 6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.686 -1.083 6.369 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.363 -1.412 8.367 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.256 -0.122 7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -20.765 -0.679 8.699 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -20.998 0.899 9.458 1.00 0.00 H new ATOM 914 N GLY A 60 -15.245 -0.838 5.420 1.00 0.00 N ATOM 915 CA GLY A 60 -14.061 0.053 5.279 1.00 0.00 C ATOM 916 C GLY A 60 -12.803 -0.572 5.892 1.00 0.00 C ATOM 917 O GLY A 60 -12.619 -0.566 7.093 1.00 0.00 O ATOM 0 H GLY A 60 -15.047 -1.838 5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.886 0.261 4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.265 1.008 5.763 1.00 0.00 H new ATOM 921 N VAL A 61 -11.922 -1.089 5.071 1.00 0.00 N ATOM 922 CA VAL A 61 -10.663 -1.695 5.603 1.00 0.00 C ATOM 923 C VAL A 61 -9.469 -1.211 4.809 1.00 0.00 C ATOM 924 O VAL A 61 -9.514 -1.099 3.611 1.00 0.00 O ATOM 925 CB VAL A 61 -10.806 -3.204 5.425 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.572 -3.903 6.008 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.060 -3.686 6.140 1.00 0.00 C ATOM 0 H VAL A 61 -12.021 -1.117 4.056 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.509 -1.419 6.646 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.888 -3.441 4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.671 -4.981 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.679 -3.558 5.488 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.488 -3.668 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.160 -4.764 6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.986 -3.452 7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.933 -3.188 5.719 1.00 0.00 H new ATOM 937 N ILE A 62 -8.406 -0.906 5.484 1.00 0.00 N ATOM 938 CA ILE A 62 -7.193 -0.396 4.784 1.00 0.00 C ATOM 939 C ILE A 62 -5.910 -0.895 5.453 1.00 0.00 C ATOM 940 O ILE A 62 -5.902 -1.285 6.604 1.00 0.00 O ATOM 941 CB ILE A 62 -7.290 1.129 4.896 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.745 1.515 5.215 1.00 0.00 C ATOM 943 CG2 ILE A 62 -6.846 1.760 3.571 1.00 0.00 C ATOM 944 CD1 ILE A 62 -8.917 3.025 5.216 1.00 0.00 C ATOM 0 H ILE A 62 -8.319 -0.987 6.497 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.152 -0.741 3.751 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.642 1.493 5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.414 1.069 4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.028 1.112 6.188 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.913 2.845 3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.816 1.473 3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.493 1.410 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.954 3.273 5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.264 3.465 5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.656 3.422 4.235 1.00 0.00 H new ATOM 956 N ARG A 63 -4.825 -0.871 4.728 1.00 0.00 N ATOM 957 CA ARG A 63 -3.520 -1.327 5.288 1.00 0.00 C ATOM 958 C ARG A 63 -2.405 -1.017 4.286 1.00 0.00 C ATOM 959 O ARG A 63 -2.445 -1.452 3.149 1.00 0.00 O ATOM 960 CB ARG A 63 -3.673 -2.838 5.485 1.00 0.00 C ATOM 961 CG ARG A 63 -3.126 -3.238 6.860 1.00 0.00 C ATOM 962 CD ARG A 63 -4.161 -4.093 7.596 1.00 0.00 C ATOM 963 NE ARG A 63 -4.133 -5.410 6.902 1.00 0.00 N ATOM 964 CZ ARG A 63 -5.222 -5.886 6.360 1.00 0.00 C ATOM 965 NH1 ARG A 63 -6.031 -6.627 7.067 1.00 0.00 N ATOM 966 NH2 ARG A 63 -5.500 -5.621 5.114 1.00 0.00 N ATOM 0 H ARG A 63 -4.787 -0.551 3.760 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.264 -0.830 6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.723 -3.120 5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.138 -3.373 4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.196 -3.794 6.745 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.894 -2.347 7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.909 -4.197 8.651 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.152 -3.642 7.548 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.263 -5.941 6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.813 -6.834 8.042 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.882 -6.999 6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.867 -5.042 4.562 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.350 -5.993 4.691 1.00 0.00 H new ATOM 980 N HIS A 64 -1.419 -0.257 4.686 1.00 0.00 N ATOM 981 CA HIS A 64 -0.318 0.085 3.736 1.00 0.00 C ATOM 982 C HIS A 64 0.895 -0.808 3.972 1.00 0.00 C ATOM 983 O HIS A 64 1.640 -0.626 4.916 1.00 0.00 O ATOM 984 CB HIS A 64 0.052 1.548 4.011 1.00 0.00 C ATOM 985 CG HIS A 64 -1.187 2.349 4.306 1.00 0.00 C ATOM 986 ND1 HIS A 64 -2.239 2.439 3.410 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.558 3.094 5.397 1.00 0.00 C ATOM 988 CE1 HIS A 64 -3.184 3.213 3.971 1.00 0.00 C ATOM 989 NE2 HIS A 64 -2.820 3.639 5.183 1.00 0.00 N ATOM 0 H HIS A 64 -1.328 0.139 5.622 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.637 -0.063 2.704 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.740 1.605 4.854 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.569 1.968 3.149 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.961 3.236 6.286 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.123 3.460 3.499 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.353 4.236 5.816 1.00 0.00 H new ATOM 997 N TYR A 65 1.112 -1.757 3.108 1.00 0.00 N ATOM 998 CA TYR A 65 2.295 -2.645 3.262 1.00 0.00 C ATOM 999 C TYR A 65 3.520 -1.921 2.731 1.00 0.00 C ATOM 1000 O TYR A 65 3.565 -1.530 1.585 1.00 0.00 O ATOM 1001 CB TYR A 65 2.016 -3.864 2.394 1.00 0.00 C ATOM 1002 CG TYR A 65 0.611 -4.379 2.632 1.00 0.00 C ATOM 1003 CD1 TYR A 65 0.059 -4.358 3.921 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.136 -4.886 1.562 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.236 -4.842 4.136 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.430 -5.372 1.780 1.00 0.00 C ATOM 1007 CZ TYR A 65 -1.980 -5.350 3.066 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.256 -5.830 3.280 1.00 0.00 O ATOM 0 H TYR A 65 0.521 -1.956 2.301 1.00 0.00 H new ATOM 0 HA TYR A 65 2.470 -2.922 4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.141 -3.605 1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.739 -4.649 2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.634 -3.968 4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.286 -4.902 0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.661 -4.823 5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.005 -5.765 0.954 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.634 -6.145 2.432 1.00 0.00 H new ATOM 1018 N VAL A 66 4.510 -1.739 3.540 1.00 0.00 N ATOM 1019 CA VAL A 66 5.724 -1.029 3.055 1.00 0.00 C ATOM 1020 C VAL A 66 6.902 -1.989 2.989 1.00 0.00 C ATOM 1021 O VAL A 66 6.856 -3.080 3.518 1.00 0.00 O ATOM 1022 CB VAL A 66 6.002 0.077 4.073 1.00 0.00 C ATOM 1023 CG1 VAL A 66 7.142 0.958 3.551 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.744 0.932 4.272 1.00 0.00 C ATOM 0 H VAL A 66 4.539 -2.046 4.512 1.00 0.00 H new ATOM 0 HA VAL A 66 5.576 -0.623 2.054 1.00 0.00 H new ATOM 0 HB VAL A 66 6.283 -0.368 5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.348 1.750 4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.037 0.351 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.853 1.400 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.949 1.718 4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.456 1.382 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.931 0.304 4.637 1.00 0.00 H new ATOM 1034 N VAL A 67 7.958 -1.592 2.344 1.00 0.00 N ATOM 1035 CA VAL A 67 9.136 -2.488 2.252 1.00 0.00 C ATOM 1036 C VAL A 67 10.354 -1.842 2.907 1.00 0.00 C ATOM 1037 O VAL A 67 10.716 -0.725 2.606 1.00 0.00 O ATOM 1038 CB VAL A 67 9.376 -2.677 0.758 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.617 -3.548 0.559 1.00 0.00 C ATOM 1040 CG2 VAL A 67 8.158 -3.358 0.128 1.00 0.00 C ATOM 0 H VAL A 67 8.056 -0.690 1.879 1.00 0.00 H new ATOM 0 HA VAL A 67 8.967 -3.435 2.764 1.00 0.00 H new ATOM 0 HB VAL A 67 9.530 -1.709 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.796 -3.688 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.480 -3.060 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.460 -4.518 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.329 -3.493 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.002 -4.330 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.275 -2.736 0.278 1.00 0.00 H new ATOM 1050 N CYS A 68 10.999 -2.551 3.788 1.00 0.00 N ATOM 1051 CA CYS A 68 12.207 -1.998 4.450 1.00 0.00 C ATOM 1052 C CYS A 68 13.432 -2.345 3.604 1.00 0.00 C ATOM 1053 O CYS A 68 13.375 -3.219 2.764 1.00 0.00 O ATOM 1054 CB CYS A 68 12.265 -2.686 5.812 1.00 0.00 C ATOM 1055 SG CYS A 68 13.593 -1.958 6.803 1.00 0.00 S ATOM 0 H CYS A 68 10.739 -3.494 4.078 1.00 0.00 H new ATOM 0 HA CYS A 68 12.181 -0.914 4.561 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.311 -2.576 6.327 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.437 -3.755 5.684 1.00 0.00 H new ATOM 0 HG CYS A 68 14.380 -2.899 7.232 1.00 0.00 H new ATOM 1061 N SER A 69 14.531 -1.668 3.798 1.00 0.00 N ATOM 1062 CA SER A 69 15.734 -1.977 2.972 1.00 0.00 C ATOM 1063 C SER A 69 17.008 -1.987 3.819 1.00 0.00 C ATOM 1064 O SER A 69 17.281 -1.069 4.567 1.00 0.00 O ATOM 1065 CB SER A 69 15.801 -0.860 1.930 1.00 0.00 C ATOM 1066 OG SER A 69 15.241 0.328 2.471 1.00 0.00 O ATOM 0 H SER A 69 14.648 -0.923 4.484 1.00 0.00 H new ATOM 0 HA SER A 69 15.660 -2.966 2.520 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.836 -0.685 1.635 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.259 -1.154 1.031 1.00 0.00 H new ATOM 0 HG SER A 69 14.266 0.303 2.375 1.00 0.00 H new ATOM 1072 N THR A 70 17.796 -3.018 3.681 1.00 0.00 N ATOM 1073 CA THR A 70 19.073 -3.103 4.444 1.00 0.00 C ATOM 1074 C THR A 70 20.231 -2.695 3.517 1.00 0.00 C ATOM 1075 O THR A 70 20.092 -2.761 2.311 1.00 0.00 O ATOM 1076 CB THR A 70 19.179 -4.572 4.876 1.00 0.00 C ATOM 1077 OG1 THR A 70 20.311 -4.745 5.711 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.311 -5.471 3.648 1.00 0.00 C ATOM 0 H THR A 70 17.608 -3.811 3.068 1.00 0.00 H new ATOM 0 HA THR A 70 19.110 -2.443 5.311 1.00 0.00 H new ATOM 0 HB THR A 70 18.277 -4.844 5.424 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.374 -5.683 5.986 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.386 -6.511 3.965 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.435 -5.348 3.011 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.207 -5.196 3.091 1.00 0.00 H new ATOM 1086 N PRO A 71 21.329 -2.260 4.090 1.00 0.00 N ATOM 1087 CA PRO A 71 22.486 -1.815 3.272 1.00 0.00 C ATOM 1088 C PRO A 71 23.111 -2.946 2.445 1.00 0.00 C ATOM 1089 O PRO A 71 24.088 -2.735 1.755 1.00 0.00 O ATOM 1090 CB PRO A 71 23.466 -1.294 4.327 1.00 0.00 C ATOM 1091 CG PRO A 71 22.830 -1.464 5.721 1.00 0.00 C ATOM 1092 CD PRO A 71 21.479 -2.175 5.564 1.00 0.00 C ATOM 0 HA PRO A 71 22.200 -1.073 2.526 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.407 -1.842 4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.697 -0.245 4.143 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.488 -2.043 6.368 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.692 -0.492 6.194 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.483 -3.161 6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.667 -1.610 6.022 1.00 0.00 H new ATOM 1100 N GLN A 72 22.562 -4.128 2.478 1.00 0.00 N ATOM 1101 CA GLN A 72 23.146 -5.225 1.656 1.00 0.00 C ATOM 1102 C GLN A 72 22.389 -5.310 0.323 1.00 0.00 C ATOM 1103 O GLN A 72 22.349 -6.339 -0.319 1.00 0.00 O ATOM 1104 CB GLN A 72 22.954 -6.490 2.502 1.00 0.00 C ATOM 1105 CG GLN A 72 23.461 -7.725 1.746 1.00 0.00 C ATOM 1106 CD GLN A 72 24.910 -7.505 1.302 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.638 -6.751 1.917 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.361 -8.137 0.254 1.00 0.00 N ATOM 0 H GLN A 72 21.744 -4.381 3.032 1.00 0.00 H new ATOM 0 HA GLN A 72 24.198 -5.075 1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.490 -6.388 3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.899 -6.614 2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.397 -8.605 2.385 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.830 -7.915 0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.750 -8.770 -0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.325 -7.998 -0.049 1.00 0.00 H new ATOM 1117 N SER A 73 21.781 -4.222 -0.095 1.00 0.00 N ATOM 1118 CA SER A 73 21.011 -4.227 -1.376 1.00 0.00 C ATOM 1119 C SER A 73 19.857 -5.219 -1.260 1.00 0.00 C ATOM 1120 O SER A 73 19.635 -6.040 -2.128 1.00 0.00 O ATOM 1121 CB SER A 73 22.005 -4.670 -2.455 1.00 0.00 C ATOM 1122 OG SER A 73 21.894 -3.807 -3.579 1.00 0.00 O ATOM 0 H SER A 73 21.787 -3.330 0.400 1.00 0.00 H new ATOM 0 HA SER A 73 20.586 -3.252 -1.615 1.00 0.00 H new ATOM 0 HB2 SER A 73 23.021 -4.645 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.803 -5.699 -2.751 1.00 0.00 H new ATOM 0 HG SER A 73 22.530 -4.087 -4.270 1.00 0.00 H new ATOM 1128 N GLN A 74 19.136 -5.164 -0.170 1.00 0.00 N ATOM 1129 CA GLN A 74 18.009 -6.120 0.036 1.00 0.00 C ATOM 1130 C GLN A 74 16.774 -5.382 0.568 1.00 0.00 C ATOM 1131 O GLN A 74 16.849 -4.235 0.962 1.00 0.00 O ATOM 1132 CB GLN A 74 18.524 -7.125 1.071 1.00 0.00 C ATOM 1133 CG GLN A 74 20.056 -7.139 1.071 1.00 0.00 C ATOM 1134 CD GLN A 74 20.560 -8.425 1.732 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.629 -8.496 3.033 1.00 0.00 O flip ATOM 1136 NE2 GLN A 74 20.893 -9.377 1.055 1.00 0.00 N flip ATOM 0 H GLN A 74 19.280 -4.496 0.588 1.00 0.00 H new ATOM 0 HA GLN A 74 17.709 -6.608 -0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 74 18.155 -6.861 2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 74 18.143 -8.121 0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.430 -7.073 0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.437 -6.270 1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.840 -9.323 0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 74 21.226 -10.230 1.504 1.00 0.00 H new ATOM 1145 N TYR A 75 15.632 -6.028 0.562 1.00 0.00 N ATOM 1146 CA TYR A 75 14.384 -5.346 1.049 1.00 0.00 C ATOM 1147 C TYR A 75 13.426 -6.340 1.719 1.00 0.00 C ATOM 1148 O TYR A 75 13.479 -7.523 1.474 1.00 0.00 O ATOM 1149 CB TYR A 75 13.716 -4.775 -0.203 1.00 0.00 C ATOM 1150 CG TYR A 75 14.711 -3.985 -1.017 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.596 -4.648 -1.870 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.750 -2.594 -0.914 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.522 -3.923 -2.619 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.674 -1.864 -1.665 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.563 -2.528 -2.519 1.00 0.00 C ATOM 1156 OH TYR A 75 17.480 -1.808 -3.259 1.00 0.00 O ATOM 0 H TYR A 75 15.507 -6.989 0.245 1.00 0.00 H new ATOM 0 HA TYR A 75 14.626 -4.583 1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.306 -5.585 -0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.881 -4.135 0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.563 -5.725 -1.950 1.00 0.00 H new ATOM 0 HD2 TYR A 75 14.066 -2.082 -0.254 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.207 -4.438 -3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.703 -0.787 -1.587 1.00 0.00 H new ATOM 0 HH TYR A 75 17.373 -0.852 -3.072 1.00 0.00 H new ATOM 1166 N TYR A 76 12.528 -5.852 2.542 1.00 0.00 N ATOM 1167 CA TYR A 76 11.540 -6.757 3.224 1.00 0.00 C ATOM 1168 C TYR A 76 10.590 -5.954 4.119 1.00 0.00 C ATOM 1169 O TYR A 76 10.886 -4.850 4.522 1.00 0.00 O ATOM 1170 CB TYR A 76 12.375 -7.703 4.107 1.00 0.00 C ATOM 1171 CG TYR A 76 13.199 -6.899 5.090 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.614 -6.441 6.276 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.546 -6.623 4.826 1.00 0.00 C ATOM 1174 CE1 TYR A 76 13.370 -5.710 7.196 1.00 0.00 C ATOM 1175 CE2 TYR A 76 15.303 -5.889 5.746 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.716 -5.434 6.932 1.00 0.00 C ATOM 1177 OH TYR A 76 15.468 -4.710 7.840 1.00 0.00 O ATOM 0 H TYR A 76 12.434 -4.863 2.773 1.00 0.00 H new ATOM 0 HA TYR A 76 10.936 -7.291 2.490 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.718 -8.387 4.644 1.00 0.00 H new ATOM 0 HB3 TYR A 76 13.029 -8.313 3.484 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.575 -6.653 6.481 1.00 0.00 H new ATOM 0 HD2 TYR A 76 15.001 -6.977 3.912 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.916 -5.358 8.110 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.341 -5.673 5.541 1.00 0.00 H new ATOM 0 HH TYR A 76 16.382 -4.610 7.501 1.00 0.00 H new ATOM 1187 N LEU A 77 9.482 -6.540 4.487 1.00 0.00 N ATOM 1188 CA LEU A 77 8.540 -5.854 5.421 1.00 0.00 C ATOM 1189 C LEU A 77 8.819 -6.430 6.812 1.00 0.00 C ATOM 1190 O LEU A 77 8.350 -5.951 7.826 1.00 0.00 O ATOM 1191 CB LEU A 77 7.132 -6.228 4.940 1.00 0.00 C ATOM 1192 CG LEU A 77 6.144 -5.116 5.306 1.00 0.00 C ATOM 1193 CD1 LEU A 77 5.085 -4.985 4.207 1.00 0.00 C ATOM 1194 CD2 LEU A 77 5.455 -5.456 6.628 1.00 0.00 C ATOM 0 H LEU A 77 9.187 -7.467 4.180 1.00 0.00 H new ATOM 0 HA LEU A 77 8.645 -4.770 5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.136 -6.382 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.820 -7.168 5.395 1.00 0.00 H new ATOM 0 HG LEU A 77 6.686 -4.175 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.384 -4.193 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.570 -4.741 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.547 -5.928 4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.753 -4.664 6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.917 -6.399 6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.203 -5.548 7.415 1.00 0.00 H new ATOM 1206 N ALA A 78 9.640 -7.448 6.827 1.00 0.00 N ATOM 1207 CA ALA A 78 10.077 -8.113 8.076 1.00 0.00 C ATOM 1208 C ALA A 78 11.423 -8.769 7.764 1.00 0.00 C ATOM 1209 O ALA A 78 11.532 -9.556 6.844 1.00 0.00 O ATOM 1210 CB ALA A 78 9.005 -9.160 8.386 1.00 0.00 C ATOM 0 H ALA A 78 10.039 -7.858 5.982 1.00 0.00 H new ATOM 0 HA ALA A 78 10.194 -7.443 8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.268 -9.690 9.301 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.042 -8.667 8.516 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.941 -9.870 7.561 1.00 0.00 H new ATOM 1216 N GLU A 79 12.457 -8.428 8.487 1.00 0.00 N ATOM 1217 CA GLU A 79 13.807 -9.008 8.195 1.00 0.00 C ATOM 1218 C GLU A 79 13.737 -10.527 8.026 1.00 0.00 C ATOM 1219 O GLU A 79 14.620 -11.136 7.452 1.00 0.00 O ATOM 1220 CB GLU A 79 14.669 -8.642 9.401 1.00 0.00 C ATOM 1221 CG GLU A 79 15.351 -7.300 9.143 1.00 0.00 C ATOM 1222 CD GLU A 79 16.442 -7.070 10.190 1.00 0.00 C ATOM 1223 OE1 GLU A 79 16.153 -7.228 11.364 1.00 0.00 O ATOM 1224 OE2 GLU A 79 17.550 -6.739 9.799 1.00 0.00 O ATOM 0 H GLU A 79 12.428 -7.773 9.268 1.00 0.00 H new ATOM 0 HA GLU A 79 14.215 -8.618 7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.053 -8.584 10.299 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.417 -9.415 9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.784 -7.287 8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.618 -6.494 9.184 1.00 0.00 H new ATOM 1231 N LYS A 80 12.693 -11.136 8.514 1.00 0.00 N ATOM 1232 CA LYS A 80 12.546 -12.620 8.379 1.00 0.00 C ATOM 1233 C LYS A 80 12.909 -13.068 6.958 1.00 0.00 C ATOM 1234 O LYS A 80 13.512 -14.103 6.755 1.00 0.00 O ATOM 1235 CB LYS A 80 11.068 -12.889 8.655 1.00 0.00 C ATOM 1236 CG LYS A 80 10.893 -13.375 10.097 1.00 0.00 C ATOM 1237 CD LYS A 80 9.741 -12.616 10.758 1.00 0.00 C ATOM 1238 CE LYS A 80 8.414 -13.286 10.398 1.00 0.00 C ATOM 1239 NZ LYS A 80 7.383 -12.229 10.599 1.00 0.00 N ATOM 0 H LYS A 80 11.929 -10.671 9.004 1.00 0.00 H new ATOM 0 HA LYS A 80 13.202 -13.162 9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.487 -11.981 8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.689 -13.638 7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.690 -14.446 10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.814 -13.219 10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.873 -12.604 11.840 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.738 -11.578 10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.418 -13.643 9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.223 -14.150 11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.443 -12.613 10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.398 -11.914 11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.587 -11.422 9.976 1.00 0.00 H new ATOM 1253 N HIS A 81 12.550 -12.284 5.974 1.00 0.00 N ATOM 1254 CA HIS A 81 12.876 -12.645 4.564 1.00 0.00 C ATOM 1255 C HIS A 81 12.998 -11.366 3.742 1.00 0.00 C ATOM 1256 O HIS A 81 12.232 -10.438 3.919 1.00 0.00 O ATOM 1257 CB HIS A 81 11.698 -13.487 4.075 1.00 0.00 C ATOM 1258 CG HIS A 81 11.629 -14.765 4.867 1.00 0.00 C ATOM 1259 ND1 HIS A 81 10.651 -14.989 5.823 1.00 0.00 N ATOM 1260 CD2 HIS A 81 12.410 -15.894 4.858 1.00 0.00 C ATOM 1261 CE1 HIS A 81 10.866 -16.211 6.344 1.00 0.00 C ATOM 1262 NE2 HIS A 81 11.926 -16.805 5.791 1.00 0.00 N ATOM 0 H HIS A 81 12.043 -11.406 6.088 1.00 0.00 H new ATOM 0 HA HIS A 81 13.815 -13.192 4.475 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.768 -12.929 4.185 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.813 -13.710 3.014 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.269 -16.051 4.223 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.256 -16.657 7.115 1.00 0.00 H new ATOM 0 HE2 HIS A 81 12.301 -17.729 6.006 1.00 0.00 H new ATOM 1270 N LEU A 82 13.957 -11.288 2.861 1.00 0.00 N ATOM 1271 CA LEU A 82 14.108 -10.044 2.067 1.00 0.00 C ATOM 1272 C LEU A 82 14.666 -10.340 0.672 1.00 0.00 C ATOM 1273 O LEU A 82 15.462 -11.239 0.484 1.00 0.00 O ATOM 1274 CB LEU A 82 15.081 -9.184 2.886 1.00 0.00 C ATOM 1275 CG LEU A 82 16.464 -9.826 2.915 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.490 -8.794 3.387 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.471 -11.017 3.880 1.00 0.00 C ATOM 0 H LEU A 82 14.634 -12.024 2.660 1.00 0.00 H new ATOM 0 HA LEU A 82 13.155 -9.542 1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.146 -8.185 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.706 -9.068 3.903 1.00 0.00 H new ATOM 0 HG LEU A 82 16.717 -10.173 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.480 -9.249 3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.495 -7.947 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.226 -8.450 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.463 -11.469 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 82 16.215 -10.675 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.740 -11.756 3.551 1.00 0.00 H new ATOM 1289 N PHE A 83 14.254 -9.577 -0.305 1.00 0.00 N ATOM 1290 CA PHE A 83 14.757 -9.790 -1.692 1.00 0.00 C ATOM 1291 C PHE A 83 15.565 -8.567 -2.132 1.00 0.00 C ATOM 1292 O PHE A 83 16.033 -7.805 -1.310 1.00 0.00 O ATOM 1293 CB PHE A 83 13.502 -9.966 -2.546 1.00 0.00 C ATOM 1294 CG PHE A 83 13.038 -11.399 -2.448 1.00 0.00 C ATOM 1295 CD1 PHE A 83 12.552 -11.894 -1.231 1.00 0.00 C ATOM 1296 CD2 PHE A 83 13.105 -12.235 -3.568 1.00 0.00 C ATOM 1297 CE1 PHE A 83 12.129 -13.224 -1.138 1.00 0.00 C ATOM 1298 CE2 PHE A 83 12.681 -13.567 -3.473 1.00 0.00 C ATOM 1299 CZ PHE A 83 12.194 -14.061 -2.258 1.00 0.00 C ATOM 0 H PHE A 83 13.588 -8.812 -0.201 1.00 0.00 H new ATOM 0 HA PHE A 83 15.416 -10.654 -1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.717 -9.292 -2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.714 -9.709 -3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.504 -11.250 -0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.483 -11.854 -4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.752 -13.606 -0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.730 -14.212 -4.338 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.868 -15.088 -2.184 1.00 0.00 H new ATOM 1309 N SER A 84 15.747 -8.373 -3.412 1.00 0.00 N ATOM 1310 CA SER A 84 16.543 -7.199 -3.872 1.00 0.00 C ATOM 1311 C SER A 84 15.635 -6.086 -4.422 1.00 0.00 C ATOM 1312 O SER A 84 16.112 -5.125 -4.996 1.00 0.00 O ATOM 1313 CB SER A 84 17.443 -7.744 -4.980 1.00 0.00 C ATOM 1314 OG SER A 84 18.185 -6.675 -5.552 1.00 0.00 O ATOM 0 H SER A 84 15.382 -8.972 -4.153 1.00 0.00 H new ATOM 0 HA SER A 84 17.109 -6.754 -3.053 1.00 0.00 H new ATOM 0 HB2 SER A 84 18.120 -8.497 -4.577 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.841 -8.234 -5.745 1.00 0.00 H new ATOM 0 HG SER A 84 17.722 -5.828 -5.383 1.00 0.00 H new ATOM 1320 N THR A 85 14.340 -6.191 -4.247 1.00 0.00 N ATOM 1321 CA THR A 85 13.427 -5.115 -4.756 1.00 0.00 C ATOM 1322 C THR A 85 12.018 -5.277 -4.170 1.00 0.00 C ATOM 1323 O THR A 85 11.641 -6.347 -3.721 1.00 0.00 O ATOM 1324 CB THR A 85 13.373 -5.291 -6.280 1.00 0.00 C ATOM 1325 OG1 THR A 85 14.649 -5.666 -6.777 1.00 0.00 O ATOM 1326 CG2 THR A 85 12.942 -3.973 -6.927 1.00 0.00 C ATOM 0 H THR A 85 13.876 -6.969 -3.777 1.00 0.00 H new ATOM 0 HA THR A 85 13.790 -4.128 -4.470 1.00 0.00 H new ATOM 0 HB THR A 85 12.655 -6.075 -6.522 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.331 -5.059 -6.419 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.903 -4.095 -8.009 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.956 -3.692 -6.557 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.660 -3.192 -6.676 1.00 0.00 H new ATOM 1334 N ILE A 86 11.228 -4.227 -4.180 1.00 0.00 N ATOM 1335 CA ILE A 86 9.843 -4.334 -3.629 1.00 0.00 C ATOM 1336 C ILE A 86 8.990 -5.302 -4.476 1.00 0.00 C ATOM 1337 O ILE A 86 8.441 -6.243 -3.938 1.00 0.00 O ATOM 1338 CB ILE A 86 9.284 -2.907 -3.668 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.760 -2.148 -2.429 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.750 -2.935 -3.684 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.959 -1.271 -2.792 1.00 0.00 C ATOM 0 H ILE A 86 11.483 -3.309 -4.544 1.00 0.00 H new ATOM 0 HA ILE A 86 9.833 -4.737 -2.616 1.00 0.00 H new ATOM 0 HB ILE A 86 9.639 -2.411 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.952 -1.531 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 86 10.036 -2.851 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.368 -1.915 -3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.405 -3.476 -4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.386 -3.435 -2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.296 -0.731 -1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.769 -1.898 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.668 -0.558 -3.563 1.00 0.00 H new ATOM 1353 N PRO A 87 8.894 -5.062 -5.771 1.00 0.00 N ATOM 1354 CA PRO A 87 8.091 -5.956 -6.639 1.00 0.00 C ATOM 1355 C PRO A 87 8.555 -7.404 -6.475 1.00 0.00 C ATOM 1356 O PRO A 87 7.762 -8.326 -6.499 1.00 0.00 O ATOM 1357 CB PRO A 87 8.387 -5.424 -8.044 1.00 0.00 C ATOM 1358 CG PRO A 87 9.350 -4.228 -7.925 1.00 0.00 C ATOM 1359 CD PRO A 87 9.568 -3.920 -6.437 1.00 0.00 C ATOM 0 HA PRO A 87 7.026 -5.960 -6.408 1.00 0.00 H new ATOM 0 HB2 PRO A 87 8.831 -6.207 -8.659 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.463 -5.118 -8.535 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.300 -4.458 -8.407 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.937 -3.358 -8.435 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.627 -3.870 -6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.126 -2.965 -6.151 1.00 0.00 H new ATOM 1367 N GLU A 88 9.830 -7.606 -6.284 1.00 0.00 N ATOM 1368 CA GLU A 88 10.339 -8.992 -6.091 1.00 0.00 C ATOM 1369 C GLU A 88 9.758 -9.559 -4.795 1.00 0.00 C ATOM 1370 O GLU A 88 9.284 -10.676 -4.752 1.00 0.00 O ATOM 1371 CB GLU A 88 11.858 -8.855 -5.988 1.00 0.00 C ATOM 1372 CG GLU A 88 12.504 -10.233 -6.136 1.00 0.00 C ATOM 1373 CD GLU A 88 12.341 -10.722 -7.575 1.00 0.00 C ATOM 1374 OE1 GLU A 88 12.658 -9.965 -8.477 1.00 0.00 O ATOM 1375 OE2 GLU A 88 11.902 -11.846 -7.752 1.00 0.00 O ATOM 0 H GLU A 88 10.539 -6.873 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 88 10.058 -9.663 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.227 -8.183 -6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.130 -8.415 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.561 -10.180 -5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.041 -10.939 -5.446 1.00 0.00 H new ATOM 1382 N LEU A 89 9.777 -8.781 -3.744 1.00 0.00 N ATOM 1383 CA LEU A 89 9.211 -9.257 -2.445 1.00 0.00 C ATOM 1384 C LEU A 89 7.726 -9.593 -2.617 1.00 0.00 C ATOM 1385 O LEU A 89 7.286 -10.684 -2.312 1.00 0.00 O ATOM 1386 CB LEU A 89 9.384 -8.080 -1.482 1.00 0.00 C ATOM 1387 CG LEU A 89 10.558 -8.353 -0.538 1.00 0.00 C ATOM 1388 CD1 LEU A 89 11.357 -7.065 -0.321 1.00 0.00 C ATOM 1389 CD2 LEU A 89 10.023 -8.856 0.806 1.00 0.00 C ATOM 0 H LEU A 89 10.160 -7.836 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 89 9.706 -10.157 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.562 -7.162 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.470 -7.931 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 89 11.208 -9.109 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.192 -7.263 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.739 -6.708 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.710 -6.305 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.857 -9.051 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.372 -8.100 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.459 -9.776 0.652 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.482 -3.437 -7.427 1.00 0.00 N ATOM 1663 CA TYR A 106 -8.192 -2.322 -8.122 1.00 0.00 C ATOM 1664 C TYR A 106 -7.264 -1.103 -8.252 1.00 0.00 C ATOM 1665 O TYR A 106 -6.959 -0.460 -7.267 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.391 -1.989 -7.235 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.168 -0.853 -7.855 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -9.758 0.466 -7.637 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -11.288 -1.116 -8.649 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -10.468 1.525 -8.213 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -12.001 -0.058 -9.225 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.591 1.263 -9.008 1.00 0.00 C ATOM 1673 OH TYR A 106 -12.293 2.306 -9.575 1.00 0.00 O ATOM 0 HA TYR A 106 -8.501 -2.599 -9.130 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.031 -2.865 -7.124 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.054 -1.712 -6.236 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.892 0.667 -7.023 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -11.603 -2.135 -8.818 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.150 2.543 -8.045 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -12.868 -0.261 -9.837 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.043 1.950 -10.097 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.835 -0.822 -9.462 1.00 0.00 N ATOM 1684 CA PRO A 107 -5.933 0.329 -9.700 1.00 0.00 C ATOM 1685 C PRO A 107 -6.614 1.658 -9.364 1.00 0.00 C ATOM 1686 O PRO A 107 -7.386 2.186 -10.141 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.645 0.231 -11.200 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.406 -0.979 -11.774 1.00 0.00 C ATOM 1689 CD PRO A 107 -7.218 -1.629 -10.647 1.00 0.00 C ATOM 0 HA PRO A 107 -5.037 0.301 -9.079 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -5.956 1.146 -11.704 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.574 0.120 -11.372 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -7.066 -0.662 -12.581 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.706 -1.699 -12.199 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.290 -1.581 -10.840 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.964 -2.681 -10.520 1.00 0.00 H new