USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 556 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 54 GLN :FLIP amide:sc= -2.12 F(o=-5.2!,f=-0.93) USER MOD Set 1.2: A 69 ASN :FLIP amide:sc= 1.19 F(o=-2.5,f=-0.93) USER MOD Set 2.1: A 32 ASN : amide:sc= -0.0528 X(o=-0.16,f=-0.15) USER MOD Set 2.2: A 76 MET CE :methyl -149:sc= -0.102 (180deg=-0.511) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -139:sc= -0.971 (180deg=-1.59!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.495 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.27 USER MOD Single : A 43 HIS : no HD1:sc= -0.542 X(o=-0.54,f=-0.21) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -2.36 X(o=-2.4,f=-2.6!) USER MOD Single : A 51 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.4!) USER MOD Single : A 53 THR OG1 : rot -43:sc= 0.591 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0.118 USER MOD Single : A 66 SER OG : rot -43:sc= 1.08 USER MOD Single : A 67 SER OG : rot -51:sc= 0.204 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= 0.271 (180deg=-0.291) USER MOD Single : A 82 MET CE :methyl 149:sc= -0.644 (180deg=-1.6) USER MOD ----------------------------------------------------------------- ATOM 178 N LYS A 15 20.418 4.725 -27.479 1.00 0.00 N ATOM 179 CA LYS A 15 21.579 5.203 -28.220 1.00 0.00 C ATOM 180 C LYS A 15 21.641 6.727 -28.211 1.00 0.00 C ATOM 181 O LYS A 15 22.715 7.312 -28.078 1.00 0.00 O ATOM 182 CB LYS A 15 21.534 4.693 -29.663 1.00 0.00 C ATOM 183 CG LYS A 15 22.803 4.976 -30.448 1.00 0.00 C ATOM 184 CD LYS A 15 22.648 4.604 -31.913 1.00 0.00 C ATOM 185 CE LYS A 15 23.997 4.498 -32.607 1.00 0.00 C ATOM 186 NZ LYS A 15 23.888 3.821 -33.929 1.00 0.00 N ATOM 0 HA LYS A 15 22.474 4.817 -27.732 1.00 0.00 H new ATOM 0 HB2 LYS A 15 21.354 3.618 -29.654 1.00 0.00 H new ATOM 0 HB3 LYS A 15 20.689 5.153 -30.176 1.00 0.00 H new ATOM 0 HG2 LYS A 15 23.055 6.033 -30.365 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.632 4.416 -30.015 1.00 0.00 H new ATOM 0 HD2 LYS A 15 22.120 3.654 -31.994 1.00 0.00 H new ATOM 0 HD3 LYS A 15 22.036 5.352 -32.417 1.00 0.00 H new ATOM 0 HE2 LYS A 15 24.415 5.495 -32.743 1.00 0.00 H new ATOM 0 HE3 LYS A 15 24.690 3.946 -31.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 24.828 3.768 -34.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.513 2.860 -33.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 23.247 4.361 -34.544 1.00 0.00 H new ATOM 200 N GLU A 16 20.482 7.363 -28.351 1.00 0.00 N ATOM 201 CA GLU A 16 20.406 8.819 -28.357 1.00 0.00 C ATOM 202 C GLU A 16 20.199 9.359 -26.945 1.00 0.00 C ATOM 203 O GLU A 16 20.972 10.188 -26.466 1.00 0.00 O ATOM 204 CB GLU A 16 19.269 9.289 -29.267 1.00 0.00 C ATOM 205 CG GLU A 16 18.150 8.272 -29.417 1.00 0.00 C ATOM 206 CD GLU A 16 16.936 8.841 -30.124 1.00 0.00 C ATOM 207 OE1 GLU A 16 16.909 8.812 -31.373 1.00 0.00 O ATOM 208 OE2 GLU A 16 16.012 9.316 -29.430 1.00 0.00 O ATOM 0 H GLU A 16 19.584 6.893 -28.462 1.00 0.00 H new ATOM 0 HA GLU A 16 21.351 9.205 -28.740 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.856 10.216 -28.869 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.675 9.518 -30.252 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.519 7.410 -29.973 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.856 7.912 -28.431 1.00 0.00 H new ATOM 215 N VAL A 17 19.148 8.883 -26.284 1.00 0.00 N ATOM 216 CA VAL A 17 18.838 9.317 -24.927 1.00 0.00 C ATOM 217 C VAL A 17 18.973 10.829 -24.789 1.00 0.00 C ATOM 218 O VAL A 17 19.206 11.345 -23.696 1.00 0.00 O ATOM 219 CB VAL A 17 19.756 8.634 -23.896 1.00 0.00 C ATOM 220 CG1 VAL A 17 21.167 9.197 -23.982 1.00 0.00 C ATOM 221 CG2 VAL A 17 19.194 8.796 -22.492 1.00 0.00 C ATOM 0 H VAL A 17 18.497 8.197 -26.666 1.00 0.00 H new ATOM 0 HA VAL A 17 17.805 9.028 -24.730 1.00 0.00 H new ATOM 0 HB VAL A 17 19.800 7.569 -24.124 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.801 8.703 -23.246 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.567 9.024 -24.981 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.144 10.268 -23.780 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.855 8.307 -21.777 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.118 9.856 -22.251 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.205 8.341 -22.441 1.00 0.00 H new ATOM 231 N VAL A 18 18.825 11.535 -25.905 1.00 0.00 N ATOM 232 CA VAL A 18 18.928 12.990 -25.909 1.00 0.00 C ATOM 233 C VAL A 18 17.613 13.633 -26.331 1.00 0.00 C ATOM 234 O VAL A 18 17.214 14.667 -25.794 1.00 0.00 O ATOM 235 CB VAL A 18 20.048 13.470 -26.851 1.00 0.00 C ATOM 236 CG1 VAL A 18 21.411 13.071 -26.308 1.00 0.00 C ATOM 237 CG2 VAL A 18 19.840 12.915 -28.252 1.00 0.00 C ATOM 0 H VAL A 18 18.633 11.123 -26.818 1.00 0.00 H new ATOM 0 HA VAL A 18 19.166 13.294 -24.889 1.00 0.00 H new ATOM 0 HB VAL A 18 20.010 14.558 -26.906 1.00 0.00 H new ATOM 0 HG11 VAL A 18 22.189 13.419 -26.987 1.00 0.00 H new ATOM 0 HG12 VAL A 18 21.558 13.522 -25.327 1.00 0.00 H new ATOM 0 HG13 VAL A 18 21.464 11.986 -26.220 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.640 13.264 -28.904 1.00 0.00 H new ATOM 0 HG22 VAL A 18 19.850 11.826 -28.217 1.00 0.00 H new ATOM 0 HG23 VAL A 18 18.881 13.257 -28.640 1.00 0.00 H new ATOM 247 N TYR A 19 16.942 13.016 -27.297 1.00 0.00 N ATOM 248 CA TYR A 19 15.671 13.530 -27.794 1.00 0.00 C ATOM 249 C TYR A 19 14.504 12.978 -26.980 1.00 0.00 C ATOM 250 O TYR A 19 13.341 13.160 -27.340 1.00 0.00 O ATOM 251 CB TYR A 19 15.493 13.169 -29.270 1.00 0.00 C ATOM 252 CG TYR A 19 16.752 13.338 -30.090 1.00 0.00 C ATOM 253 CD1 TYR A 19 17.128 14.585 -30.573 1.00 0.00 C ATOM 254 CD2 TYR A 19 17.565 12.250 -30.383 1.00 0.00 C ATOM 255 CE1 TYR A 19 18.277 14.744 -31.324 1.00 0.00 C ATOM 256 CE2 TYR A 19 18.716 12.400 -31.132 1.00 0.00 C ATOM 257 CZ TYR A 19 19.068 13.648 -31.600 1.00 0.00 C ATOM 258 OH TYR A 19 20.213 13.802 -32.347 1.00 0.00 O ATOM 0 H TYR A 19 17.257 12.159 -27.752 1.00 0.00 H new ATOM 0 HA TYR A 19 15.682 14.615 -27.691 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.157 12.135 -29.345 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.706 13.792 -29.695 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.512 15.445 -30.358 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.292 11.270 -30.019 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.554 15.721 -31.693 1.00 0.00 H new ATOM 0 HE2 TYR A 19 19.337 11.544 -31.350 1.00 0.00 H new ATOM 0 HH TYR A 19 20.656 12.934 -32.449 1.00 0.00 H new ATOM 268 N TRP A 20 14.825 12.304 -25.882 1.00 0.00 N ATOM 269 CA TRP A 20 13.804 11.725 -25.015 1.00 0.00 C ATOM 270 C TRP A 20 12.834 12.796 -24.527 1.00 0.00 C ATOM 271 O TRP A 20 12.965 13.970 -24.874 1.00 0.00 O ATOM 272 CB TRP A 20 14.456 11.026 -23.821 1.00 0.00 C ATOM 273 CG TRP A 20 14.965 9.654 -24.142 1.00 0.00 C ATOM 274 CD1 TRP A 20 14.939 9.033 -25.358 1.00 0.00 C ATOM 275 CD2 TRP A 20 15.576 8.733 -23.232 1.00 0.00 C ATOM 276 NE1 TRP A 20 15.496 7.781 -25.259 1.00 0.00 N ATOM 277 CE2 TRP A 20 15.896 7.573 -23.966 1.00 0.00 C ATOM 278 CE3 TRP A 20 15.886 8.775 -21.870 1.00 0.00 C ATOM 279 CZ2 TRP A 20 16.508 6.468 -23.381 1.00 0.00 C ATOM 280 CZ3 TRP A 20 16.494 7.677 -21.291 1.00 0.00 C ATOM 281 CH2 TRP A 20 16.800 6.536 -22.046 1.00 0.00 C ATOM 0 H TRP A 20 15.783 12.145 -25.571 1.00 0.00 H new ATOM 0 HA TRP A 20 13.244 10.991 -25.594 1.00 0.00 H new ATOM 0 HB2 TRP A 20 15.283 11.637 -23.458 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.731 10.956 -23.010 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.539 9.463 -26.264 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.595 7.114 -26.025 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.655 9.650 -21.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.744 5.588 -23.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.737 7.698 -20.239 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.275 5.694 -21.564 1.00 0.00 H new ATOM 292 N SER A 21 11.862 12.384 -23.719 1.00 0.00 N ATOM 293 CA SER A 21 10.869 13.308 -23.185 1.00 0.00 C ATOM 294 C SER A 21 11.049 13.490 -21.681 1.00 0.00 C ATOM 295 O SER A 21 11.780 12.750 -21.024 1.00 0.00 O ATOM 296 CB SER A 21 9.457 12.800 -23.483 1.00 0.00 C ATOM 297 OG SER A 21 8.897 13.472 -24.598 1.00 0.00 O ATOM 0 H SER A 21 11.741 11.416 -23.420 1.00 0.00 H new ATOM 0 HA SER A 21 11.010 14.274 -23.670 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.487 11.728 -23.678 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.822 12.948 -22.609 1.00 0.00 H new ATOM 0 HG SER A 21 7.995 13.128 -24.768 1.00 0.00 H new ATOM 303 N PRO A 22 10.367 14.501 -21.123 1.00 0.00 N ATOM 304 CA PRO A 22 10.434 14.806 -19.691 1.00 0.00 C ATOM 305 C PRO A 22 9.749 13.743 -18.839 1.00 0.00 C ATOM 306 O PRO A 22 9.945 13.684 -17.625 1.00 0.00 O ATOM 307 CB PRO A 22 9.695 16.141 -19.577 1.00 0.00 C ATOM 308 CG PRO A 22 8.769 16.162 -20.744 1.00 0.00 C ATOM 309 CD PRO A 22 9.476 15.424 -21.847 1.00 0.00 C ATOM 0 HA PRO A 22 11.462 14.840 -19.330 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.148 16.212 -18.637 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.389 16.981 -19.607 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.821 15.683 -20.499 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.541 17.185 -21.043 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.774 14.887 -22.486 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.037 16.103 -22.490 1.00 0.00 H new ATOM 317 N LYS A 23 8.944 12.904 -19.483 1.00 0.00 N ATOM 318 CA LYS A 23 8.230 11.841 -18.785 1.00 0.00 C ATOM 319 C LYS A 23 8.986 10.520 -18.888 1.00 0.00 C ATOM 320 O LYS A 23 8.761 9.601 -18.099 1.00 0.00 O ATOM 321 CB LYS A 23 6.822 11.681 -19.361 1.00 0.00 C ATOM 322 CG LYS A 23 5.841 12.732 -18.870 1.00 0.00 C ATOM 323 CD LYS A 23 5.461 12.503 -17.416 1.00 0.00 C ATOM 324 CE LYS A 23 4.081 13.064 -17.106 1.00 0.00 C ATOM 325 NZ LYS A 23 3.559 12.561 -15.805 1.00 0.00 N ATOM 0 H LYS A 23 8.770 12.940 -20.487 1.00 0.00 H new ATOM 0 HA LYS A 23 8.156 12.117 -17.733 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.876 11.727 -20.449 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.443 10.693 -19.102 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.282 13.723 -18.980 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.944 12.712 -19.489 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.478 11.435 -17.198 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.200 12.973 -16.767 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.128 14.153 -17.082 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.390 12.792 -17.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.617 12.965 -15.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.490 11.524 -15.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.205 12.842 -15.040 1.00 0.00 H new ATOM 339 N LYS A 24 9.883 10.431 -19.864 1.00 0.00 N ATOM 340 CA LYS A 24 10.674 9.223 -20.069 1.00 0.00 C ATOM 341 C LYS A 24 11.891 9.208 -19.150 1.00 0.00 C ATOM 342 O LYS A 24 12.127 8.236 -18.432 1.00 0.00 O ATOM 343 CB LYS A 24 11.123 9.125 -21.529 1.00 0.00 C ATOM 344 CG LYS A 24 12.292 8.179 -21.743 1.00 0.00 C ATOM 345 CD LYS A 24 11.999 6.795 -21.188 1.00 0.00 C ATOM 346 CE LYS A 24 13.170 5.849 -21.405 1.00 0.00 C ATOM 347 NZ LYS A 24 12.844 4.458 -20.984 1.00 0.00 N ATOM 0 H LYS A 24 10.081 11.181 -20.526 1.00 0.00 H new ATOM 0 HA LYS A 24 10.048 8.363 -19.829 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.282 8.793 -22.138 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.400 10.118 -21.883 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.512 8.106 -22.808 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.182 8.584 -21.261 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.781 6.868 -20.122 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.109 6.390 -21.669 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.450 5.853 -22.458 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.034 6.205 -20.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.667 3.844 -21.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.601 4.449 -19.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.036 4.108 -21.537 1.00 0.00 H new ATOM 361 N VAL A 25 12.661 10.291 -19.176 1.00 0.00 N ATOM 362 CA VAL A 25 13.853 10.402 -18.344 1.00 0.00 C ATOM 363 C VAL A 25 13.616 9.806 -16.961 1.00 0.00 C ATOM 364 O VAL A 25 14.516 9.215 -16.366 1.00 0.00 O ATOM 365 CB VAL A 25 14.295 11.870 -18.189 1.00 0.00 C ATOM 366 CG1 VAL A 25 15.492 11.972 -17.257 1.00 0.00 C ATOM 367 CG2 VAL A 25 14.613 12.476 -19.548 1.00 0.00 C ATOM 0 H VAL A 25 12.480 11.104 -19.765 1.00 0.00 H new ATOM 0 HA VAL A 25 14.642 9.843 -18.847 1.00 0.00 H new ATOM 0 HB VAL A 25 13.473 12.434 -17.748 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.790 13.016 -17.160 1.00 0.00 H new ATOM 0 HG12 VAL A 25 15.224 11.578 -16.276 1.00 0.00 H new ATOM 0 HG13 VAL A 25 16.321 11.395 -17.666 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.923 13.513 -19.420 1.00 0.00 H new ATOM 0 HG22 VAL A 25 15.418 11.912 -20.019 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.726 12.438 -20.180 1.00 0.00 H new ATOM 377 N ALA A 26 12.397 9.965 -16.455 1.00 0.00 N ATOM 378 CA ALA A 26 12.040 9.440 -15.143 1.00 0.00 C ATOM 379 C ALA A 26 11.945 7.918 -15.168 1.00 0.00 C ATOM 380 O ALA A 26 12.659 7.231 -14.438 1.00 0.00 O ATOM 381 CB ALA A 26 10.726 10.045 -14.673 1.00 0.00 C ATOM 0 H ALA A 26 11.640 10.453 -16.934 1.00 0.00 H new ATOM 0 HA ALA A 26 12.827 9.717 -14.441 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.471 9.644 -13.692 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.827 11.128 -14.607 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.937 9.797 -15.382 1.00 0.00 H new ATOM 387 N ASP A 27 11.060 7.399 -16.011 1.00 0.00 N ATOM 388 CA ASP A 27 10.872 5.958 -16.131 1.00 0.00 C ATOM 389 C ASP A 27 12.213 5.231 -16.108 1.00 0.00 C ATOM 390 O ASP A 27 12.336 4.154 -15.525 1.00 0.00 O ATOM 391 CB ASP A 27 10.120 5.626 -17.421 1.00 0.00 C ATOM 392 CG ASP A 27 8.617 5.600 -17.225 1.00 0.00 C ATOM 393 OD1 ASP A 27 8.171 5.268 -16.107 1.00 0.00 O ATOM 394 OD2 ASP A 27 7.887 5.910 -18.190 1.00 0.00 O ATOM 0 H ASP A 27 10.461 7.955 -16.622 1.00 0.00 H new ATOM 0 HA ASP A 27 10.282 5.621 -15.279 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.371 6.363 -18.184 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.452 4.656 -17.792 1.00 0.00 H new ATOM 399 N TRP A 28 13.214 5.827 -16.745 1.00 0.00 N ATOM 400 CA TRP A 28 14.546 5.236 -16.797 1.00 0.00 C ATOM 401 C TRP A 28 15.150 5.130 -15.401 1.00 0.00 C ATOM 402 O TRP A 28 15.773 4.124 -15.058 1.00 0.00 O ATOM 403 CB TRP A 28 15.460 6.067 -17.700 1.00 0.00 C ATOM 404 CG TRP A 28 16.873 5.568 -17.734 1.00 0.00 C ATOM 405 CD1 TRP A 28 17.331 4.445 -18.362 1.00 0.00 C ATOM 406 CD2 TRP A 28 18.011 6.175 -17.113 1.00 0.00 C ATOM 407 NE1 TRP A 28 18.686 4.317 -18.168 1.00 0.00 N ATOM 408 CE2 TRP A 28 19.127 5.367 -17.406 1.00 0.00 C ATOM 409 CE3 TRP A 28 18.197 7.324 -16.340 1.00 0.00 C ATOM 410 CZ2 TRP A 28 20.407 5.671 -16.952 1.00 0.00 C ATOM 411 CZ3 TRP A 28 19.469 7.625 -15.889 1.00 0.00 C ATOM 412 CH2 TRP A 28 20.560 6.802 -16.196 1.00 0.00 C ATOM 0 H TRP A 28 13.129 6.719 -17.233 1.00 0.00 H new ATOM 0 HA TRP A 28 14.455 4.231 -17.210 1.00 0.00 H new ATOM 0 HB2 TRP A 28 15.057 6.066 -18.713 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.456 7.101 -17.356 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.719 3.758 -18.928 1.00 0.00 H new ATOM 0 HE1 TRP A 28 19.268 3.563 -18.532 1.00 0.00 H new ATOM 0 HE3 TRP A 28 17.362 7.966 -16.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.249 5.037 -17.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.624 8.510 -15.290 1.00 0.00 H new ATOM 0 HH2 TRP A 28 21.541 7.065 -15.829 1.00 0.00 H new ATOM 423 N LEU A 29 14.962 6.172 -14.600 1.00 0.00 N ATOM 424 CA LEU A 29 15.489 6.196 -13.239 1.00 0.00 C ATOM 425 C LEU A 29 14.904 5.057 -12.409 1.00 0.00 C ATOM 426 O LEU A 29 15.627 4.163 -11.966 1.00 0.00 O ATOM 427 CB LEU A 29 15.179 7.538 -12.575 1.00 0.00 C ATOM 428 CG LEU A 29 15.804 8.771 -13.229 1.00 0.00 C ATOM 429 CD1 LEU A 29 15.142 10.040 -12.716 1.00 0.00 C ATOM 430 CD2 LEU A 29 17.303 8.808 -12.973 1.00 0.00 C ATOM 0 H LEU A 29 14.449 7.012 -14.868 1.00 0.00 H new ATOM 0 HA LEU A 29 16.570 6.065 -13.291 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.097 7.670 -12.557 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.512 7.493 -11.538 1.00 0.00 H new ATOM 0 HG LEU A 29 15.641 8.710 -14.305 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.600 10.907 -13.192 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.078 10.016 -12.951 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.273 10.108 -11.636 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.731 9.692 -13.446 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.488 8.845 -11.899 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.766 7.914 -13.390 1.00 0.00 H new ATOM 442 N LEU A 30 13.593 5.095 -12.204 1.00 0.00 N ATOM 443 CA LEU A 30 12.909 4.065 -11.429 1.00 0.00 C ATOM 444 C LEU A 30 13.252 2.673 -11.951 1.00 0.00 C ATOM 445 O LEU A 30 13.293 1.708 -11.190 1.00 0.00 O ATOM 446 CB LEU A 30 11.396 4.282 -11.477 1.00 0.00 C ATOM 447 CG LEU A 30 10.916 5.715 -11.244 1.00 0.00 C ATOM 448 CD1 LEU A 30 11.803 6.417 -10.228 1.00 0.00 C ATOM 449 CD2 LEU A 30 10.888 6.488 -12.555 1.00 0.00 C ATOM 0 H LEU A 30 12.981 5.828 -12.563 1.00 0.00 H new ATOM 0 HA LEU A 30 13.247 4.139 -10.395 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.032 3.952 -12.450 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.933 3.639 -10.729 1.00 0.00 H new ATOM 0 HG LEU A 30 9.902 5.678 -10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.446 7.435 -10.075 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.772 5.876 -9.282 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.828 6.444 -10.597 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.544 7.506 -12.370 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.890 6.516 -12.982 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.210 5.997 -13.253 1.00 0.00 H new ATOM 461 N GLU A 31 13.499 2.580 -13.254 1.00 0.00 N ATOM 462 CA GLU A 31 13.840 1.307 -13.877 1.00 0.00 C ATOM 463 C GLU A 31 15.078 0.697 -13.226 1.00 0.00 C ATOM 464 O GLU A 31 15.259 -0.520 -13.232 1.00 0.00 O ATOM 465 CB GLU A 31 14.080 1.495 -15.377 1.00 0.00 C ATOM 466 CG GLU A 31 14.110 0.192 -16.157 1.00 0.00 C ATOM 467 CD GLU A 31 12.772 -0.521 -16.154 1.00 0.00 C ATOM 468 OE1 GLU A 31 11.913 -0.172 -16.991 1.00 0.00 O ATOM 469 OE2 GLU A 31 12.583 -1.427 -15.316 1.00 0.00 O ATOM 0 H GLU A 31 13.469 3.371 -13.898 1.00 0.00 H new ATOM 0 HA GLU A 31 13.001 0.626 -13.733 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.297 2.134 -15.784 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.026 2.017 -15.522 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.407 0.396 -17.186 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.868 -0.465 -15.731 1.00 0.00 H new ATOM 476 N ASN A 32 15.927 1.552 -12.665 1.00 0.00 N ATOM 477 CA ASN A 32 17.148 1.098 -12.010 1.00 0.00 C ATOM 478 C ASN A 32 17.138 1.462 -10.528 1.00 0.00 C ATOM 479 O ASN A 32 18.191 1.609 -9.908 1.00 0.00 O ATOM 480 CB ASN A 32 18.374 1.712 -12.689 1.00 0.00 C ATOM 481 CG ASN A 32 18.402 1.446 -14.182 1.00 0.00 C ATOM 482 OD1 ASN A 32 18.704 0.335 -14.620 1.00 0.00 O ATOM 483 ND2 ASN A 32 18.087 2.466 -14.970 1.00 0.00 N ATOM 0 H ASN A 32 15.792 2.563 -12.651 1.00 0.00 H new ATOM 0 HA ASN A 32 17.197 0.013 -12.099 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.382 2.788 -12.514 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.278 1.308 -12.234 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.089 2.347 -15.983 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.843 3.369 -14.563 1.00 0.00 H new ATOM 490 N ALA A 33 15.942 1.604 -9.968 1.00 0.00 N ATOM 491 CA ALA A 33 15.794 1.947 -8.559 1.00 0.00 C ATOM 492 C ALA A 33 16.492 3.265 -8.239 1.00 0.00 C ATOM 493 O ALA A 33 17.282 3.347 -7.299 1.00 0.00 O ATOM 494 CB ALA A 33 16.343 0.831 -7.683 1.00 0.00 C ATOM 0 H ALA A 33 15.061 1.487 -10.468 1.00 0.00 H new ATOM 0 HA ALA A 33 14.731 2.068 -8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.226 1.101 -6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.797 -0.091 -7.884 1.00 0.00 H new ATOM 0 HB3 ALA A 33 17.400 0.682 -7.903 1.00 0.00 H new ATOM 500 N MET A 34 16.196 4.293 -9.027 1.00 0.00 N ATOM 501 CA MET A 34 16.796 5.607 -8.827 1.00 0.00 C ATOM 502 C MET A 34 15.722 6.683 -8.709 1.00 0.00 C ATOM 503 O MET A 34 15.763 7.712 -9.384 1.00 0.00 O ATOM 504 CB MET A 34 17.743 5.939 -9.982 1.00 0.00 C ATOM 505 CG MET A 34 18.704 4.812 -10.323 1.00 0.00 C ATOM 506 SD MET A 34 20.254 5.409 -11.025 1.00 0.00 S ATOM 507 CE MET A 34 19.724 5.869 -12.673 1.00 0.00 C ATOM 0 H MET A 34 15.544 4.242 -9.810 1.00 0.00 H new ATOM 0 HA MET A 34 17.363 5.582 -7.897 1.00 0.00 H new ATOM 0 HB2 MET A 34 17.153 6.183 -10.866 1.00 0.00 H new ATOM 0 HB3 MET A 34 18.317 6.830 -9.726 1.00 0.00 H new ATOM 0 HG2 MET A 34 18.916 4.235 -9.423 1.00 0.00 H new ATOM 0 HG3 MET A 34 18.226 4.134 -11.031 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.480 5.564 -13.397 1.00 0.00 H new ATOM 0 HE2 MET A 34 18.780 5.374 -12.903 1.00 0.00 H new ATOM 0 HE3 MET A 34 19.589 6.949 -12.723 1.00 0.00 H new ATOM 517 N PRO A 35 14.735 6.443 -7.832 1.00 0.00 N ATOM 518 CA PRO A 35 13.631 7.380 -7.606 1.00 0.00 C ATOM 519 C PRO A 35 14.086 8.650 -6.896 1.00 0.00 C ATOM 520 O PRO A 35 13.382 9.660 -6.901 1.00 0.00 O ATOM 521 CB PRO A 35 12.668 6.587 -6.719 1.00 0.00 C ATOM 522 CG PRO A 35 13.529 5.589 -6.024 1.00 0.00 C ATOM 523 CD PRO A 35 14.623 5.237 -6.994 1.00 0.00 C ATOM 0 HA PRO A 35 13.187 7.721 -8.542 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.160 7.237 -6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.895 6.098 -7.312 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.942 6.003 -5.104 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.955 4.705 -5.746 1.00 0.00 H new ATOM 0 HD2 PRO A 35 15.559 5.015 -6.481 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.368 4.358 -7.586 1.00 0.00 H new ATOM 531 N GLU A 36 15.266 8.593 -6.287 1.00 0.00 N ATOM 532 CA GLU A 36 15.812 9.740 -5.571 1.00 0.00 C ATOM 533 C GLU A 36 16.212 10.847 -6.542 1.00 0.00 C ATOM 534 O GLU A 36 16.262 12.021 -6.174 1.00 0.00 O ATOM 535 CB GLU A 36 17.022 9.318 -4.734 1.00 0.00 C ATOM 536 CG GLU A 36 17.859 8.227 -5.382 1.00 0.00 C ATOM 537 CD GLU A 36 17.404 6.834 -4.991 1.00 0.00 C ATOM 538 OE1 GLU A 36 16.777 6.692 -3.921 1.00 0.00 O ATOM 539 OE2 GLU A 36 17.676 5.886 -5.757 1.00 0.00 O ATOM 0 H GLU A 36 15.862 7.765 -6.275 1.00 0.00 H new ATOM 0 HA GLU A 36 15.037 10.125 -4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.652 10.190 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.676 8.970 -3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.809 8.331 -6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.903 8.358 -5.097 1.00 0.00 H new ATOM 546 N TYR A 37 16.496 10.464 -7.781 1.00 0.00 N ATOM 547 CA TYR A 37 16.895 11.423 -8.805 1.00 0.00 C ATOM 548 C TYR A 37 15.697 11.851 -9.647 1.00 0.00 C ATOM 549 O TYR A 37 15.784 12.793 -10.435 1.00 0.00 O ATOM 550 CB TYR A 37 17.976 10.820 -9.705 1.00 0.00 C ATOM 551 CG TYR A 37 19.293 10.591 -8.999 1.00 0.00 C ATOM 552 CD1 TYR A 37 20.128 11.656 -8.681 1.00 0.00 C ATOM 553 CD2 TYR A 37 19.703 9.311 -8.649 1.00 0.00 C ATOM 554 CE1 TYR A 37 21.333 11.451 -8.037 1.00 0.00 C ATOM 555 CE2 TYR A 37 20.905 9.096 -8.003 1.00 0.00 C ATOM 556 CZ TYR A 37 21.717 10.170 -7.700 1.00 0.00 C ATOM 557 OH TYR A 37 22.916 9.962 -7.057 1.00 0.00 O ATOM 0 H TYR A 37 16.458 9.496 -8.101 1.00 0.00 H new ATOM 0 HA TYR A 37 17.298 12.304 -8.305 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.617 9.871 -10.104 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.140 11.482 -10.556 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.830 12.661 -8.942 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.071 8.468 -8.886 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.971 12.289 -7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 37 21.207 8.094 -7.737 1.00 0.00 H new ATOM 0 HH TYR A 37 23.036 9.004 -6.890 1.00 0.00 H new ATOM 567 N CYS A 38 14.581 11.153 -9.473 1.00 0.00 N ATOM 568 CA CYS A 38 13.364 11.460 -10.216 1.00 0.00 C ATOM 569 C CYS A 38 12.874 12.869 -9.899 1.00 0.00 C ATOM 570 O CYS A 38 12.271 13.531 -10.744 1.00 0.00 O ATOM 571 CB CYS A 38 12.271 10.441 -9.888 1.00 0.00 C ATOM 572 SG CYS A 38 11.075 10.188 -11.220 1.00 0.00 S ATOM 0 H CYS A 38 14.493 10.371 -8.824 1.00 0.00 H new ATOM 0 HA CYS A 38 13.594 11.406 -11.280 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.739 9.486 -9.648 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.740 10.769 -8.994 1.00 0.00 H new ATOM 0 HG CYS A 38 10.192 9.308 -10.849 1.00 0.00 H new ATOM 578 N GLU A 39 13.136 13.321 -8.677 1.00 0.00 N ATOM 579 CA GLU A 39 12.720 14.651 -8.249 1.00 0.00 C ATOM 580 C GLU A 39 13.435 15.731 -9.057 1.00 0.00 C ATOM 581 O GLU A 39 12.811 16.556 -9.726 1.00 0.00 O ATOM 582 CB GLU A 39 13.004 14.844 -6.758 1.00 0.00 C ATOM 583 CG GLU A 39 11.821 14.509 -5.865 1.00 0.00 C ATOM 584 CD GLU A 39 10.514 15.065 -6.396 1.00 0.00 C ATOM 585 OE1 GLU A 39 9.841 14.356 -7.173 1.00 0.00 O ATOM 586 OE2 GLU A 39 10.164 16.207 -6.033 1.00 0.00 O ATOM 0 H GLU A 39 13.634 12.786 -7.966 1.00 0.00 H new ATOM 0 HA GLU A 39 11.648 14.741 -8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.851 14.219 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.298 15.879 -6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.739 13.426 -5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.001 14.905 -4.866 1.00 0.00 H new ATOM 593 N PRO A 40 14.774 15.727 -8.995 1.00 0.00 N ATOM 594 CA PRO A 40 15.603 16.699 -9.714 1.00 0.00 C ATOM 595 C PRO A 40 15.575 16.480 -11.223 1.00 0.00 C ATOM 596 O PRO A 40 15.838 17.400 -11.999 1.00 0.00 O ATOM 597 CB PRO A 40 17.008 16.444 -9.163 1.00 0.00 C ATOM 598 CG PRO A 40 16.984 15.027 -8.704 1.00 0.00 C ATOM 599 CD PRO A 40 15.583 14.773 -8.217 1.00 0.00 C ATOM 0 HA PRO A 40 15.252 17.721 -9.568 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.768 16.599 -9.929 1.00 0.00 H new ATOM 0 HB3 PRO A 40 17.240 17.122 -8.342 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.243 14.349 -9.517 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.710 14.862 -7.908 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.275 13.743 -8.398 1.00 0.00 H new ATOM 0 HD3 PRO A 40 15.492 14.949 -7.145 1.00 0.00 H new ATOM 607 N LEU A 41 15.255 15.257 -11.633 1.00 0.00 N ATOM 608 CA LEU A 41 15.193 14.917 -13.050 1.00 0.00 C ATOM 609 C LEU A 41 13.748 14.863 -13.535 1.00 0.00 C ATOM 610 O LEU A 41 13.470 14.388 -14.635 1.00 0.00 O ATOM 611 CB LEU A 41 15.879 13.573 -13.303 1.00 0.00 C ATOM 612 CG LEU A 41 17.349 13.482 -12.893 1.00 0.00 C ATOM 613 CD1 LEU A 41 17.891 12.086 -13.155 1.00 0.00 C ATOM 614 CD2 LEU A 41 18.175 14.524 -13.633 1.00 0.00 C ATOM 0 H LEU A 41 15.035 14.485 -11.004 1.00 0.00 H new ATOM 0 HA LEU A 41 15.715 15.695 -13.608 1.00 0.00 H new ATOM 0 HB2 LEU A 41 15.326 12.799 -12.771 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.804 13.344 -14.366 1.00 0.00 H new ATOM 0 HG LEU A 41 17.421 13.683 -11.824 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.938 12.041 -12.857 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.318 11.359 -12.579 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.806 11.856 -14.217 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.219 14.444 -13.329 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.096 14.355 -14.707 1.00 0.00 H new ATOM 0 HD23 LEU A 41 17.802 15.520 -13.394 1.00 0.00 H new ATOM 626 N GLU A 42 12.832 15.355 -12.706 1.00 0.00 N ATOM 627 CA GLU A 42 11.416 15.363 -13.051 1.00 0.00 C ATOM 628 C GLU A 42 11.194 15.993 -14.423 1.00 0.00 C ATOM 629 O GLU A 42 10.572 15.393 -15.301 1.00 0.00 O ATOM 630 CB GLU A 42 10.614 16.124 -11.993 1.00 0.00 C ATOM 631 CG GLU A 42 11.172 17.502 -11.682 1.00 0.00 C ATOM 632 CD GLU A 42 10.782 17.991 -10.300 1.00 0.00 C ATOM 633 OE1 GLU A 42 10.302 17.169 -9.493 1.00 0.00 O ATOM 634 OE2 GLU A 42 10.956 19.198 -10.028 1.00 0.00 O ATOM 0 H GLU A 42 13.046 15.753 -11.791 1.00 0.00 H new ATOM 0 HA GLU A 42 11.071 14.330 -13.084 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.584 16.227 -12.334 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.589 15.536 -11.076 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.259 17.476 -11.761 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.815 18.211 -12.429 1.00 0.00 H new ATOM 641 N HIS A 43 11.707 17.206 -14.601 1.00 0.00 N ATOM 642 CA HIS A 43 11.565 17.919 -15.866 1.00 0.00 C ATOM 643 C HIS A 43 12.861 17.865 -16.668 1.00 0.00 C ATOM 644 O HIS A 43 13.183 18.793 -17.411 1.00 0.00 O ATOM 645 CB HIS A 43 11.167 19.373 -15.614 1.00 0.00 C ATOM 646 CG HIS A 43 12.297 20.228 -15.129 1.00 0.00 C ATOM 647 ND1 HIS A 43 12.638 21.429 -15.715 1.00 0.00 N ATOM 648 CD2 HIS A 43 13.166 20.050 -14.106 1.00 0.00 C ATOM 649 CE1 HIS A 43 13.668 21.952 -15.075 1.00 0.00 C ATOM 650 NE2 HIS A 43 14.008 21.135 -14.094 1.00 0.00 N ATOM 0 H HIS A 43 12.225 17.716 -13.885 1.00 0.00 H new ATOM 0 HA HIS A 43 10.780 17.431 -16.444 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.771 19.798 -16.536 1.00 0.00 H new ATOM 0 HB3 HIS A 43 10.362 19.399 -14.880 1.00 0.00 H new ATOM 0 HD2 HIS A 43 13.192 19.211 -13.426 1.00 0.00 H new ATOM 0 HE1 HIS A 43 14.150 22.888 -15.313 1.00 0.00 H new ATOM 0 HE2 HIS A 43 14.772 21.286 -13.435 1.00 0.00 H new ATOM 658 N PHE A 44 13.603 16.773 -16.512 1.00 0.00 N ATOM 659 CA PHE A 44 14.866 16.599 -17.220 1.00 0.00 C ATOM 660 C PHE A 44 14.666 15.792 -18.500 1.00 0.00 C ATOM 661 O PHE A 44 13.880 14.844 -18.534 1.00 0.00 O ATOM 662 CB PHE A 44 15.888 15.903 -16.320 1.00 0.00 C ATOM 663 CG PHE A 44 16.747 16.856 -15.539 1.00 0.00 C ATOM 664 CD1 PHE A 44 16.177 17.762 -14.659 1.00 0.00 C ATOM 665 CD2 PHE A 44 18.125 16.847 -15.685 1.00 0.00 C ATOM 666 CE1 PHE A 44 16.965 18.641 -13.940 1.00 0.00 C ATOM 667 CE2 PHE A 44 18.918 17.723 -14.969 1.00 0.00 C ATOM 668 CZ PHE A 44 18.337 18.621 -14.094 1.00 0.00 C ATOM 0 H PHE A 44 13.351 15.996 -15.902 1.00 0.00 H new ATOM 0 HA PHE A 44 15.242 17.586 -17.489 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.362 15.248 -15.625 1.00 0.00 H new ATOM 0 HB3 PHE A 44 16.528 15.269 -16.933 1.00 0.00 H new ATOM 0 HD1 PHE A 44 15.105 17.782 -14.533 1.00 0.00 H new ATOM 0 HD2 PHE A 44 18.585 16.147 -16.367 1.00 0.00 H new ATOM 0 HE1 PHE A 44 16.508 19.343 -13.258 1.00 0.00 H new ATOM 0 HE2 PHE A 44 19.991 17.706 -15.093 1.00 0.00 H new ATOM 0 HZ PHE A 44 18.955 19.306 -13.532 1.00 0.00 H new ATOM 678 N THR A 45 15.382 16.176 -19.552 1.00 0.00 N ATOM 679 CA THR A 45 15.282 15.491 -20.835 1.00 0.00 C ATOM 680 C THR A 45 16.532 14.665 -21.116 1.00 0.00 C ATOM 681 O THR A 45 17.641 15.057 -20.755 1.00 0.00 O ATOM 682 CB THR A 45 15.069 16.489 -21.989 1.00 0.00 C ATOM 683 OG1 THR A 45 16.002 17.569 -21.882 1.00 0.00 O ATOM 684 CG2 THR A 45 13.649 17.035 -21.977 1.00 0.00 C ATOM 0 H THR A 45 16.037 16.958 -19.541 1.00 0.00 H new ATOM 0 HA THR A 45 14.419 14.828 -20.774 1.00 0.00 H new ATOM 0 HB THR A 45 15.231 15.962 -22.930 1.00 0.00 H new ATOM 0 HG1 THR A 45 15.861 18.198 -22.620 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.522 17.737 -22.801 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.942 16.213 -22.089 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.464 17.546 -21.032 1.00 0.00 H new ATOM 692 N GLY A 46 16.346 13.520 -21.765 1.00 0.00 N ATOM 693 CA GLY A 46 17.468 12.656 -22.083 1.00 0.00 C ATOM 694 C GLY A 46 18.743 13.435 -22.343 1.00 0.00 C ATOM 695 O GLY A 46 19.811 13.066 -21.857 1.00 0.00 O ATOM 0 H GLY A 46 15.438 13.175 -22.076 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.632 11.961 -21.260 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.225 12.058 -22.962 1.00 0.00 H new ATOM 699 N GLN A 47 18.630 14.513 -23.112 1.00 0.00 N ATOM 700 CA GLN A 47 19.783 15.343 -23.437 1.00 0.00 C ATOM 701 C GLN A 47 20.371 15.974 -22.179 1.00 0.00 C ATOM 702 O GLN A 47 21.585 15.957 -21.973 1.00 0.00 O ATOM 703 CB GLN A 47 19.388 16.435 -24.432 1.00 0.00 C ATOM 704 CG GLN A 47 20.566 17.253 -24.937 1.00 0.00 C ATOM 705 CD GLN A 47 21.298 16.578 -26.081 1.00 0.00 C ATOM 706 OE1 GLN A 47 20.822 16.567 -27.217 1.00 0.00 O ATOM 707 NE2 GLN A 47 22.461 16.010 -25.787 1.00 0.00 N ATOM 0 H GLN A 47 17.752 14.832 -23.521 1.00 0.00 H new ATOM 0 HA GLN A 47 20.542 14.705 -23.891 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.884 15.975 -25.282 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.669 17.103 -23.959 1.00 0.00 H new ATOM 0 HG2 GLN A 47 20.211 18.230 -25.264 1.00 0.00 H new ATOM 0 HG3 GLN A 47 21.262 17.425 -24.116 1.00 0.00 H new ATOM 0 HE21 GLN A 47 22.818 16.043 -24.832 1.00 0.00 H new ATOM 0 HE22 GLN A 47 22.998 15.540 -26.516 1.00 0.00 H new ATOM 716 N ASP A 48 19.504 16.531 -21.341 1.00 0.00 N ATOM 717 CA ASP A 48 19.937 17.166 -20.102 1.00 0.00 C ATOM 718 C ASP A 48 20.459 16.129 -19.113 1.00 0.00 C ATOM 719 O ASP A 48 21.450 16.361 -18.419 1.00 0.00 O ATOM 720 CB ASP A 48 18.783 17.950 -19.476 1.00 0.00 C ATOM 721 CG ASP A 48 18.515 19.259 -20.193 1.00 0.00 C ATOM 722 OD1 ASP A 48 18.847 19.356 -21.393 1.00 0.00 O ATOM 723 OD2 ASP A 48 17.975 20.186 -19.555 1.00 0.00 O ATOM 0 H ASP A 48 18.496 16.556 -21.497 1.00 0.00 H new ATOM 0 HA ASP A 48 20.748 17.855 -20.340 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.881 17.339 -19.493 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.011 18.153 -18.429 1.00 0.00 H new ATOM 728 N LEU A 49 19.787 14.984 -19.054 1.00 0.00 N ATOM 729 CA LEU A 49 20.183 13.910 -18.149 1.00 0.00 C ATOM 730 C LEU A 49 21.615 13.465 -18.428 1.00 0.00 C ATOM 731 O LEU A 49 22.427 13.346 -17.510 1.00 0.00 O ATOM 732 CB LEU A 49 19.230 12.722 -18.290 1.00 0.00 C ATOM 733 CG LEU A 49 19.668 11.426 -17.605 1.00 0.00 C ATOM 734 CD1 LEU A 49 18.458 10.650 -17.109 1.00 0.00 C ATOM 735 CD2 LEU A 49 20.498 10.575 -18.555 1.00 0.00 C ATOM 0 H LEU A 49 18.966 14.776 -19.622 1.00 0.00 H new ATOM 0 HA LEU A 49 20.132 14.289 -17.128 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.259 13.011 -17.889 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.089 12.519 -19.352 1.00 0.00 H new ATOM 0 HG LEU A 49 20.287 11.682 -16.745 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.789 9.731 -16.625 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.904 11.258 -16.394 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.813 10.404 -17.952 1.00 0.00 H new ATOM 0 HD21 LEU A 49 20.801 9.657 -18.051 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.904 10.327 -19.435 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.385 11.130 -18.861 1.00 0.00 H new ATOM 747 N ILE A 50 21.917 13.221 -19.698 1.00 0.00 N ATOM 748 CA ILE A 50 23.252 12.793 -20.097 1.00 0.00 C ATOM 749 C ILE A 50 24.267 13.916 -19.914 1.00 0.00 C ATOM 750 O ILE A 50 25.466 13.669 -19.797 1.00 0.00 O ATOM 751 CB ILE A 50 23.279 12.327 -21.565 1.00 0.00 C ATOM 752 CG1 ILE A 50 23.089 13.519 -22.505 1.00 0.00 C ATOM 753 CG2 ILE A 50 22.204 11.278 -21.807 1.00 0.00 C ATOM 754 CD1 ILE A 50 23.840 13.384 -23.811 1.00 0.00 C ATOM 0 H ILE A 50 21.255 13.312 -20.469 1.00 0.00 H new ATOM 0 HA ILE A 50 23.520 11.955 -19.453 1.00 0.00 H new ATOM 0 HB ILE A 50 24.251 11.878 -21.771 1.00 0.00 H new ATOM 0 HG12 ILE A 50 22.026 13.639 -22.717 1.00 0.00 H new ATOM 0 HG13 ILE A 50 23.417 14.427 -21.999 1.00 0.00 H new ATOM 0 HG21 ILE A 50 22.235 10.958 -22.849 1.00 0.00 H new ATOM 0 HG22 ILE A 50 22.381 10.420 -21.159 1.00 0.00 H new ATOM 0 HG23 ILE A 50 21.225 11.703 -21.587 1.00 0.00 H new ATOM 0 HD11 ILE A 50 23.659 14.265 -24.427 1.00 0.00 H new ATOM 0 HD12 ILE A 50 24.907 13.295 -23.609 1.00 0.00 H new ATOM 0 HD13 ILE A 50 23.495 12.495 -24.339 1.00 0.00 H new ATOM 766 N ASN A 51 23.777 15.151 -19.889 1.00 0.00 N ATOM 767 CA ASN A 51 24.641 16.314 -19.719 1.00 0.00 C ATOM 768 C ASN A 51 24.997 16.517 -18.250 1.00 0.00 C ATOM 769 O ASN A 51 25.561 17.545 -17.873 1.00 0.00 O ATOM 770 CB ASN A 51 23.958 17.568 -20.268 1.00 0.00 C ATOM 771 CG ASN A 51 23.869 17.562 -21.782 1.00 0.00 C ATOM 772 OD1 ASN A 51 24.586 16.820 -22.454 1.00 0.00 O ATOM 773 ND2 ASN A 51 22.986 18.391 -22.326 1.00 0.00 N ATOM 0 H ASN A 51 22.786 15.373 -19.984 1.00 0.00 H new ATOM 0 HA ASN A 51 25.561 16.136 -20.276 1.00 0.00 H new ATOM 0 HB2 ASN A 51 22.955 17.646 -19.848 1.00 0.00 H new ATOM 0 HB3 ASN A 51 24.509 18.450 -19.943 1.00 0.00 H new ATOM 0 HD21 ASN A 51 22.881 18.431 -23.340 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.413 18.988 -21.730 1.00 0.00 H new ATOM 780 N LEU A 52 24.665 15.531 -17.424 1.00 0.00 N ATOM 781 CA LEU A 52 24.951 15.600 -15.995 1.00 0.00 C ATOM 782 C LEU A 52 26.364 15.110 -15.698 1.00 0.00 C ATOM 783 O LEU A 52 26.805 14.090 -16.229 1.00 0.00 O ATOM 784 CB LEU A 52 23.935 14.768 -15.211 1.00 0.00 C ATOM 785 CG LEU A 52 22.517 15.337 -15.134 1.00 0.00 C ATOM 786 CD1 LEU A 52 21.630 14.445 -14.280 1.00 0.00 C ATOM 787 CD2 LEU A 52 22.541 16.754 -14.581 1.00 0.00 C ATOM 0 H LEU A 52 24.197 14.674 -17.719 1.00 0.00 H new ATOM 0 HA LEU A 52 24.875 16.642 -15.684 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.883 13.776 -15.661 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.308 14.638 -14.195 1.00 0.00 H new ATOM 0 HG LEU A 52 22.103 15.368 -16.142 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.625 14.865 -14.237 1.00 0.00 H new ATOM 0 HD12 LEU A 52 21.587 13.448 -14.718 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.041 14.381 -13.272 1.00 0.00 H new ATOM 0 HD21 LEU A 52 21.524 17.143 -14.533 1.00 0.00 H new ATOM 0 HD22 LEU A 52 22.974 16.747 -13.581 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.142 17.389 -15.232 1.00 0.00 H new ATOM 799 N THR A 53 27.071 15.842 -14.843 1.00 0.00 N ATOM 800 CA THR A 53 28.434 15.482 -14.473 1.00 0.00 C ATOM 801 C THR A 53 28.640 15.582 -12.966 1.00 0.00 C ATOM 802 O THR A 53 27.875 16.249 -12.270 1.00 0.00 O ATOM 803 CB THR A 53 29.465 16.382 -15.181 1.00 0.00 C ATOM 804 OG1 THR A 53 29.344 17.729 -14.711 1.00 0.00 O ATOM 805 CG2 THR A 53 29.270 16.345 -16.689 1.00 0.00 C ATOM 0 H THR A 53 26.722 16.688 -14.393 1.00 0.00 H new ATOM 0 HA THR A 53 28.585 14.450 -14.790 1.00 0.00 H new ATOM 0 HB THR A 53 30.462 16.006 -14.951 1.00 0.00 H new ATOM 0 HG1 THR A 53 28.396 17.967 -14.642 1.00 0.00 H new ATOM 0 HG21 THR A 53 30.009 16.988 -17.167 1.00 0.00 H new ATOM 0 HG22 THR A 53 29.392 15.323 -17.047 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.269 16.698 -16.935 1.00 0.00 H new ATOM 813 N GLN A 54 29.676 14.915 -12.469 1.00 0.00 N ATOM 814 CA GLN A 54 29.981 14.929 -11.043 1.00 0.00 C ATOM 815 C GLN A 54 29.918 16.348 -10.488 1.00 0.00 C ATOM 816 O GLN A 54 29.468 16.564 -9.363 1.00 0.00 O ATOM 817 CB GLN A 54 31.366 14.331 -10.790 1.00 0.00 C ATOM 818 CG GLN A 54 31.697 14.167 -9.316 1.00 0.00 C ATOM 819 CD GLN A 54 32.207 15.448 -8.686 1.00 0.00 C ATOM 820 OE1 GLN A 54 31.362 16.093 -7.890 1.00 0.00 O flip ATOM 821 NE2 GLN A 54 33.347 15.854 -8.912 1.00 0.00 N flip ATOM 0 H GLN A 54 30.319 14.358 -13.032 1.00 0.00 H new ATOM 0 HA GLN A 54 29.233 14.324 -10.531 1.00 0.00 H new ATOM 0 HB2 GLN A 54 31.427 13.358 -11.278 1.00 0.00 H new ATOM 0 HB3 GLN A 54 32.118 14.969 -11.254 1.00 0.00 H new ATOM 0 HG2 GLN A 54 30.807 13.834 -8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 54 32.449 13.386 -9.201 1.00 0.00 H new ATOM 0 HE21 GLN A 54 33.963 15.326 -9.530 1.00 0.00 H new ATOM 0 HE22 GLN A 54 33.676 16.718 -8.481 1.00 0.00 H new ATOM 830 N GLU A 55 30.373 17.311 -11.284 1.00 0.00 N ATOM 831 CA GLU A 55 30.368 18.709 -10.870 1.00 0.00 C ATOM 832 C GLU A 55 28.941 19.207 -10.653 1.00 0.00 C ATOM 833 O GLU A 55 28.691 20.049 -9.790 1.00 0.00 O ATOM 834 CB GLU A 55 31.068 19.577 -11.918 1.00 0.00 C ATOM 835 CG GLU A 55 30.127 20.141 -12.969 1.00 0.00 C ATOM 836 CD GLU A 55 29.563 21.494 -12.581 1.00 0.00 C ATOM 837 OE1 GLU A 55 29.556 21.810 -11.373 1.00 0.00 O ATOM 838 OE2 GLU A 55 29.128 22.237 -13.486 1.00 0.00 O ATOM 0 H GLU A 55 30.749 17.149 -12.218 1.00 0.00 H new ATOM 0 HA GLU A 55 30.909 18.784 -9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 55 31.574 20.402 -11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 55 31.838 18.985 -12.412 1.00 0.00 H new ATOM 0 HG2 GLU A 55 30.659 20.231 -13.916 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.306 19.442 -13.129 1.00 0.00 H new ATOM 845 N ASP A 56 28.011 18.681 -11.441 1.00 0.00 N ATOM 846 CA ASP A 56 26.610 19.070 -11.336 1.00 0.00 C ATOM 847 C ASP A 56 26.024 18.635 -9.996 1.00 0.00 C ATOM 848 O ASP A 56 25.086 19.249 -9.488 1.00 0.00 O ATOM 849 CB ASP A 56 25.801 18.461 -12.482 1.00 0.00 C ATOM 850 CG ASP A 56 26.109 19.110 -13.817 1.00 0.00 C ATOM 851 OD1 ASP A 56 27.303 19.321 -14.112 1.00 0.00 O ATOM 852 OD2 ASP A 56 25.154 19.408 -14.566 1.00 0.00 O ATOM 0 H ASP A 56 28.202 17.983 -12.160 1.00 0.00 H new ATOM 0 HA ASP A 56 26.555 20.157 -11.401 1.00 0.00 H new ATOM 0 HB2 ASP A 56 26.011 17.393 -12.543 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.737 18.565 -12.267 1.00 0.00 H new ATOM 857 N PHE A 57 26.583 17.571 -9.429 1.00 0.00 N ATOM 858 CA PHE A 57 26.116 17.053 -8.149 1.00 0.00 C ATOM 859 C PHE A 57 26.555 17.959 -7.002 1.00 0.00 C ATOM 860 O PHE A 57 25.808 18.181 -6.049 1.00 0.00 O ATOM 861 CB PHE A 57 26.646 15.635 -7.925 1.00 0.00 C ATOM 862 CG PHE A 57 26.037 14.615 -8.844 1.00 0.00 C ATOM 863 CD1 PHE A 57 26.524 14.445 -10.130 1.00 0.00 C ATOM 864 CD2 PHE A 57 24.979 13.826 -8.422 1.00 0.00 C ATOM 865 CE1 PHE A 57 25.965 13.508 -10.979 1.00 0.00 C ATOM 866 CE2 PHE A 57 24.417 12.887 -9.266 1.00 0.00 C ATOM 867 CZ PHE A 57 24.911 12.727 -10.546 1.00 0.00 C ATOM 0 H PHE A 57 27.360 17.051 -9.836 1.00 0.00 H new ATOM 0 HA PHE A 57 25.027 17.027 -8.172 1.00 0.00 H new ATOM 0 HB2 PHE A 57 27.728 15.634 -8.060 1.00 0.00 H new ATOM 0 HB3 PHE A 57 26.454 15.343 -6.893 1.00 0.00 H new ATOM 0 HD1 PHE A 57 27.349 15.051 -10.473 1.00 0.00 H new ATOM 0 HD2 PHE A 57 24.589 13.946 -7.422 1.00 0.00 H new ATOM 0 HE1 PHE A 57 26.352 13.387 -11.980 1.00 0.00 H new ATOM 0 HE2 PHE A 57 23.592 12.279 -8.925 1.00 0.00 H new ATOM 0 HZ PHE A 57 24.474 11.993 -11.207 1.00 0.00 H new ATOM 877 N LYS A 58 27.773 18.481 -7.102 1.00 0.00 N ATOM 878 CA LYS A 58 28.313 19.364 -6.075 1.00 0.00 C ATOM 879 C LYS A 58 27.315 20.461 -5.720 1.00 0.00 C ATOM 880 O LYS A 58 27.331 20.995 -4.611 1.00 0.00 O ATOM 881 CB LYS A 58 29.626 19.990 -6.552 1.00 0.00 C ATOM 882 CG LYS A 58 30.652 18.971 -7.018 1.00 0.00 C ATOM 883 CD LYS A 58 32.054 19.558 -7.032 1.00 0.00 C ATOM 884 CE LYS A 58 32.232 20.549 -8.171 1.00 0.00 C ATOM 885 NZ LYS A 58 33.331 21.516 -7.898 1.00 0.00 N ATOM 0 H LYS A 58 28.405 18.308 -7.884 1.00 0.00 H new ATOM 0 HA LYS A 58 28.503 18.768 -5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 58 29.414 20.680 -7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 58 30.054 20.579 -5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 58 30.627 18.102 -6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 58 30.392 18.623 -8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 58 32.251 20.055 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 58 32.785 18.755 -7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 58 32.445 20.008 -9.093 1.00 0.00 H new ATOM 0 HE3 LYS A 58 31.300 21.093 -8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 33.421 22.175 -8.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 33.116 22.050 -7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 34.225 20.999 -7.773 1.00 0.00 H new ATOM 899 N LYS A 59 26.444 20.792 -6.668 1.00 0.00 N ATOM 900 CA LYS A 59 25.435 21.823 -6.455 1.00 0.00 C ATOM 901 C LYS A 59 24.038 21.284 -6.744 1.00 0.00 C ATOM 902 O LYS A 59 23.866 20.248 -7.386 1.00 0.00 O ATOM 903 CB LYS A 59 25.720 23.035 -7.344 1.00 0.00 C ATOM 904 CG LYS A 59 26.506 22.698 -8.600 1.00 0.00 C ATOM 905 CD LYS A 59 26.251 23.708 -9.706 1.00 0.00 C ATOM 906 CE LYS A 59 25.077 23.293 -10.580 1.00 0.00 C ATOM 907 NZ LYS A 59 24.690 24.368 -11.535 1.00 0.00 N ATOM 0 H LYS A 59 26.417 20.361 -7.592 1.00 0.00 H new ATOM 0 HA LYS A 59 25.478 22.129 -5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.774 23.495 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 59 26.274 23.776 -6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 59 27.571 22.672 -8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.231 21.702 -8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 59 26.052 24.686 -9.268 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.145 23.810 -10.321 1.00 0.00 H new ATOM 0 HE2 LYS A 59 25.338 22.391 -11.134 1.00 0.00 H new ATOM 0 HE3 LYS A 59 24.224 23.044 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 23.887 24.047 -12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 24.417 25.221 -11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 25.496 24.588 -12.155 1.00 0.00 H new ATOM 921 N PRO A 60 23.014 22.004 -6.261 1.00 0.00 N ATOM 922 CA PRO A 60 21.613 21.618 -6.457 1.00 0.00 C ATOM 923 C PRO A 60 21.167 21.774 -7.907 1.00 0.00 C ATOM 924 O PRO A 60 21.829 22.420 -8.720 1.00 0.00 O ATOM 925 CB PRO A 60 20.848 22.590 -5.555 1.00 0.00 C ATOM 926 CG PRO A 60 21.738 23.779 -5.438 1.00 0.00 C ATOM 927 CD PRO A 60 23.145 23.250 -5.487 1.00 0.00 C ATOM 0 HA PRO A 60 21.442 20.568 -6.218 1.00 0.00 H new ATOM 0 HB2 PRO A 60 19.885 22.858 -5.989 1.00 0.00 H new ATOM 0 HB3 PRO A 60 20.646 22.149 -4.579 1.00 0.00 H new ATOM 0 HG2 PRO A 60 21.557 24.483 -6.250 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.554 24.314 -4.506 1.00 0.00 H new ATOM 0 HD2 PRO A 60 23.822 23.954 -5.970 1.00 0.00 H new ATOM 0 HD3 PRO A 60 23.539 23.063 -4.488 1.00 0.00 H new ATOM 935 N PRO A 61 20.017 21.169 -8.241 1.00 0.00 N ATOM 936 CA PRO A 61 19.222 20.396 -7.283 1.00 0.00 C ATOM 937 C PRO A 61 19.904 19.093 -6.881 1.00 0.00 C ATOM 938 O PRO A 61 19.779 18.641 -5.742 1.00 0.00 O ATOM 939 CB PRO A 61 17.927 20.108 -8.047 1.00 0.00 C ATOM 940 CG PRO A 61 18.316 20.161 -9.484 1.00 0.00 C ATOM 941 CD PRO A 61 19.405 21.193 -9.581 1.00 0.00 C ATOM 0 HA PRO A 61 19.071 20.937 -6.349 1.00 0.00 H new ATOM 0 HB2 PRO A 61 17.520 19.132 -7.783 1.00 0.00 H new ATOM 0 HB3 PRO A 61 17.159 20.847 -7.817 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.668 19.189 -9.829 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.465 20.432 -10.109 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.128 20.943 -10.358 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.005 22.178 -9.823 1.00 0.00 H new ATOM 949 N LEU A 62 20.626 18.494 -7.821 1.00 0.00 N ATOM 950 CA LEU A 62 21.330 17.243 -7.564 1.00 0.00 C ATOM 951 C LEU A 62 22.442 17.444 -6.539 1.00 0.00 C ATOM 952 O LEU A 62 23.523 17.933 -6.869 1.00 0.00 O ATOM 953 CB LEU A 62 21.914 16.687 -8.864 1.00 0.00 C ATOM 954 CG LEU A 62 20.935 16.540 -10.030 1.00 0.00 C ATOM 955 CD1 LEU A 62 21.658 16.709 -11.357 1.00 0.00 C ATOM 956 CD2 LEU A 62 20.233 15.192 -9.971 1.00 0.00 C ATOM 0 H LEU A 62 20.739 18.855 -8.768 1.00 0.00 H new ATOM 0 HA LEU A 62 20.613 16.528 -7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 62 22.730 17.337 -9.180 1.00 0.00 H new ATOM 0 HB3 LEU A 62 22.349 15.709 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 62 20.181 17.323 -9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.946 16.601 -12.175 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.113 17.698 -11.400 1.00 0.00 H new ATOM 0 HD13 LEU A 62 22.434 15.949 -11.448 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.540 15.105 -10.808 1.00 0.00 H new ATOM 0 HD22 LEU A 62 20.973 14.394 -10.028 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.682 15.110 -9.034 1.00 0.00 H new ATOM 968 N TYR A 63 22.170 17.063 -5.296 1.00 0.00 N ATOM 969 CA TYR A 63 23.148 17.201 -4.223 1.00 0.00 C ATOM 970 C TYR A 63 22.931 16.140 -3.149 1.00 0.00 C ATOM 971 O TYR A 63 21.829 15.992 -2.620 1.00 0.00 O ATOM 972 CB TYR A 63 23.061 18.597 -3.603 1.00 0.00 C ATOM 973 CG TYR A 63 24.108 18.854 -2.544 1.00 0.00 C ATOM 974 CD1 TYR A 63 25.453 18.957 -2.879 1.00 0.00 C ATOM 975 CD2 TYR A 63 23.754 18.994 -1.207 1.00 0.00 C ATOM 976 CE1 TYR A 63 26.414 19.192 -1.915 1.00 0.00 C ATOM 977 CE2 TYR A 63 24.708 19.231 -0.237 1.00 0.00 C ATOM 978 CZ TYR A 63 26.037 19.329 -0.595 1.00 0.00 C ATOM 979 OH TYR A 63 26.990 19.563 0.369 1.00 0.00 O ATOM 0 H TYR A 63 21.281 16.656 -5.006 1.00 0.00 H new ATOM 0 HA TYR A 63 24.141 17.061 -4.650 1.00 0.00 H new ATOM 0 HB2 TYR A 63 23.163 19.343 -4.391 1.00 0.00 H new ATOM 0 HB3 TYR A 63 22.072 18.730 -3.164 1.00 0.00 H new ATOM 0 HD1 TYR A 63 25.752 18.851 -3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 63 22.715 18.916 -0.922 1.00 0.00 H new ATOM 0 HE1 TYR A 63 27.455 19.268 -2.193 1.00 0.00 H new ATOM 0 HE2 TYR A 63 24.415 19.339 0.797 1.00 0.00 H new ATOM 0 HH TYR A 63 26.558 19.635 1.246 1.00 0.00 H new ATOM 989 N ARG A 64 23.991 15.404 -2.831 1.00 0.00 N ATOM 990 CA ARG A 64 23.918 14.355 -1.822 1.00 0.00 C ATOM 991 C ARG A 64 22.624 13.558 -1.959 1.00 0.00 C ATOM 992 O ARG A 64 22.007 13.179 -0.963 1.00 0.00 O ATOM 993 CB ARG A 64 24.011 14.960 -0.420 1.00 0.00 C ATOM 994 CG ARG A 64 25.030 16.081 -0.307 1.00 0.00 C ATOM 995 CD ARG A 64 26.428 15.602 -0.665 1.00 0.00 C ATOM 996 NE ARG A 64 27.463 16.484 -0.131 1.00 0.00 N ATOM 997 CZ ARG A 64 28.743 16.143 -0.037 1.00 0.00 C ATOM 998 NH1 ARG A 64 29.144 14.944 -0.439 1.00 0.00 N ATOM 999 NH2 ARG A 64 29.625 17.000 0.460 1.00 0.00 N ATOM 0 H ARG A 64 24.911 15.515 -3.258 1.00 0.00 H new ATOM 0 HA ARG A 64 24.759 13.679 -1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.031 15.341 -0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 64 24.268 14.174 0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.745 16.901 -0.967 1.00 0.00 H new ATOM 0 HG3 ARG A 64 25.028 16.474 0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 64 26.576 14.594 -0.278 1.00 0.00 H new ATOM 0 HD3 ARG A 64 26.525 15.544 -1.749 1.00 0.00 H new ATOM 0 HE ARG A 64 27.187 17.413 0.187 1.00 0.00 H new ATOM 0 HH11 ARG A 64 28.469 14.282 -0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 64 30.128 14.684 -0.366 1.00 0.00 H new ATOM 0 HH21 ARG A 64 29.320 17.923 0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 64 30.608 16.736 0.532 1.00 0.00 H new ATOM 1013 N VAL A 65 22.218 13.307 -3.199 1.00 0.00 N ATOM 1014 CA VAL A 65 20.998 12.554 -3.467 1.00 0.00 C ATOM 1015 C VAL A 65 21.065 11.162 -2.849 1.00 0.00 C ATOM 1016 O VAL A 65 20.073 10.655 -2.326 1.00 0.00 O ATOM 1017 CB VAL A 65 20.742 12.420 -4.980 1.00 0.00 C ATOM 1018 CG1 VAL A 65 19.360 11.839 -5.238 1.00 0.00 C ATOM 1019 CG2 VAL A 65 20.900 13.768 -5.668 1.00 0.00 C ATOM 0 H VAL A 65 22.716 13.614 -4.035 1.00 0.00 H new ATOM 0 HA VAL A 65 20.177 13.110 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 65 21.481 11.736 -5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.197 11.752 -6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 65 19.288 10.853 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 65 18.603 12.495 -4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.716 13.655 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 65 20.185 14.476 -5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 65 21.913 14.140 -5.512 1.00 0.00 H new ATOM 1029 N SER A 66 22.243 10.548 -2.912 1.00 0.00 N ATOM 1030 CA SER A 66 22.439 9.213 -2.361 1.00 0.00 C ATOM 1031 C SER A 66 23.719 9.149 -1.533 1.00 0.00 C ATOM 1032 O SER A 66 24.403 8.126 -1.504 1.00 0.00 O ATOM 1033 CB SER A 66 22.495 8.177 -3.486 1.00 0.00 C ATOM 1034 OG SER A 66 22.669 6.870 -2.968 1.00 0.00 O ATOM 0 H SER A 66 23.075 10.954 -3.339 1.00 0.00 H new ATOM 0 HA SER A 66 21.594 8.988 -1.710 1.00 0.00 H new ATOM 0 HB2 SER A 66 21.576 8.220 -4.071 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.315 8.415 -4.163 1.00 0.00 H new ATOM 0 HG SER A 66 23.342 6.887 -2.256 1.00 0.00 H new ATOM 1040 N SER A 67 24.036 10.251 -0.860 1.00 0.00 N ATOM 1041 CA SER A 67 25.235 10.323 -0.033 1.00 0.00 C ATOM 1042 C SER A 67 26.406 9.618 -0.711 1.00 0.00 C ATOM 1043 O SER A 67 27.334 9.155 -0.048 1.00 0.00 O ATOM 1044 CB SER A 67 24.973 9.697 1.338 1.00 0.00 C ATOM 1045 OG SER A 67 25.961 10.088 2.275 1.00 0.00 O ATOM 0 H SER A 67 23.479 11.106 -0.871 1.00 0.00 H new ATOM 0 HA SER A 67 25.493 11.374 0.099 1.00 0.00 H new ATOM 0 HB2 SER A 67 23.988 9.998 1.696 1.00 0.00 H new ATOM 0 HB3 SER A 67 24.962 8.611 1.249 1.00 0.00 H new ATOM 0 HG SER A 67 26.851 9.924 1.899 1.00 0.00 H new ATOM 1051 N ASP A 68 26.354 9.539 -2.036 1.00 0.00 N ATOM 1052 CA ASP A 68 27.410 8.892 -2.806 1.00 0.00 C ATOM 1053 C ASP A 68 27.963 9.835 -3.870 1.00 0.00 C ATOM 1054 O ASP A 68 28.451 9.395 -4.910 1.00 0.00 O ATOM 1055 CB ASP A 68 26.883 7.615 -3.462 1.00 0.00 C ATOM 1056 CG ASP A 68 26.916 6.425 -2.523 1.00 0.00 C ATOM 1057 OD1 ASP A 68 27.988 5.797 -2.400 1.00 0.00 O ATOM 1058 OD2 ASP A 68 25.870 6.122 -1.912 1.00 0.00 O ATOM 0 H ASP A 68 25.592 9.915 -2.600 1.00 0.00 H new ATOM 0 HA ASP A 68 28.218 8.633 -2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 68 25.860 7.779 -3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 68 27.479 7.392 -4.347 1.00 0.00 H new ATOM 1063 N ASN A 69 27.881 11.134 -3.602 1.00 0.00 N ATOM 1064 CA ASN A 69 28.371 12.140 -4.538 1.00 0.00 C ATOM 1065 C ASN A 69 27.906 11.833 -5.958 1.00 0.00 C ATOM 1066 O ASN A 69 28.607 12.119 -6.928 1.00 0.00 O ATOM 1067 CB ASN A 69 29.899 12.208 -4.493 1.00 0.00 C ATOM 1068 CG ASN A 69 30.428 13.577 -4.873 1.00 0.00 C ATOM 1069 OD1 ASN A 69 30.961 14.298 -3.893 1.00 0.00 O flip ATOM 1070 ND2 ASN A 69 30.358 13.983 -6.033 1.00 0.00 N flip ATOM 0 H ASN A 69 27.480 11.515 -2.745 1.00 0.00 H new ATOM 0 HA ASN A 69 27.963 13.106 -4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 69 30.242 11.955 -3.490 1.00 0.00 H new ATOM 0 HB3 ASN A 69 30.313 11.461 -5.170 1.00 0.00 H new ATOM 0 HD21 ASN A 69 29.940 13.395 -6.755 1.00 0.00 H new ATOM 0 HD22 ASN A 69 30.718 14.907 -6.273 1.00 0.00 H new ATOM 1077 N GLY A 70 26.716 11.250 -6.073 1.00 0.00 N ATOM 1078 CA GLY A 70 26.177 10.914 -7.378 1.00 0.00 C ATOM 1079 C GLY A 70 27.045 9.922 -8.126 1.00 0.00 C ATOM 1080 O GLY A 70 27.481 10.191 -9.245 1.00 0.00 O ATOM 0 H GLY A 70 26.116 11.005 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.176 10.499 -7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.076 11.823 -7.971 1.00 0.00 H new ATOM 1084 N GLN A 71 27.298 8.774 -7.507 1.00 0.00 N ATOM 1085 CA GLN A 71 28.122 7.740 -8.121 1.00 0.00 C ATOM 1086 C GLN A 71 27.264 6.757 -8.910 1.00 0.00 C ATOM 1087 O GLN A 71 27.489 6.538 -10.101 1.00 0.00 O ATOM 1088 CB GLN A 71 28.922 6.994 -7.052 1.00 0.00 C ATOM 1089 CG GLN A 71 29.648 5.767 -7.581 1.00 0.00 C ATOM 1090 CD GLN A 71 31.047 6.084 -8.072 1.00 0.00 C ATOM 1091 OE1 GLN A 71 32.024 5.932 -7.338 1.00 0.00 O ATOM 1092 NE2 GLN A 71 31.151 6.526 -9.320 1.00 0.00 N ATOM 0 H GLN A 71 26.944 8.536 -6.580 1.00 0.00 H new ATOM 0 HA GLN A 71 28.814 8.224 -8.810 1.00 0.00 H new ATOM 0 HB2 GLN A 71 29.650 7.676 -6.613 1.00 0.00 H new ATOM 0 HB3 GLN A 71 28.248 6.690 -6.251 1.00 0.00 H new ATOM 0 HG2 GLN A 71 29.705 5.015 -6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 71 29.071 5.331 -8.396 1.00 0.00 H new ATOM 0 HE21 GLN A 71 30.315 6.637 -9.893 1.00 0.00 H new ATOM 0 HE22 GLN A 71 32.067 6.754 -9.705 1.00 0.00 H new ATOM 1101 N ARG A 72 26.280 6.167 -8.239 1.00 0.00 N ATOM 1102 CA ARG A 72 25.390 5.205 -8.878 1.00 0.00 C ATOM 1103 C ARG A 72 24.754 5.801 -10.130 1.00 0.00 C ATOM 1104 O ARG A 72 24.634 5.131 -11.157 1.00 0.00 O ATOM 1105 CB ARG A 72 24.300 4.761 -7.901 1.00 0.00 C ATOM 1106 CG ARG A 72 23.295 3.795 -8.507 1.00 0.00 C ATOM 1107 CD ARG A 72 22.689 2.885 -7.450 1.00 0.00 C ATOM 1108 NE ARG A 72 23.690 2.015 -6.838 1.00 0.00 N ATOM 1109 CZ ARG A 72 24.224 0.964 -7.450 1.00 0.00 C ATOM 1110 NH1 ARG A 72 23.856 0.655 -8.686 1.00 0.00 N ATOM 1111 NH2 ARG A 72 25.130 0.221 -6.827 1.00 0.00 N ATOM 0 H ARG A 72 26.079 6.338 -7.254 1.00 0.00 H new ATOM 0 HA ARG A 72 25.982 4.338 -9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.769 4.290 -7.037 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.771 5.641 -7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 72 22.503 4.356 -9.003 1.00 0.00 H new ATOM 0 HG3 ARG A 72 23.784 3.191 -9.271 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.215 3.491 -6.678 1.00 0.00 H new ATOM 0 HD3 ARG A 72 21.906 2.275 -7.902 1.00 0.00 H new ATOM 0 HE ARG A 72 23.996 2.226 -5.888 1.00 0.00 H new ATOM 0 HH11 ARG A 72 23.161 1.225 -9.169 1.00 0.00 H new ATOM 0 HH12 ARG A 72 24.268 -0.153 -9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.417 0.457 -5.877 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.539 -0.586 -7.298 1.00 0.00 H new ATOM 1125 N LEU A 73 24.346 7.062 -10.038 1.00 0.00 N ATOM 1126 CA LEU A 73 23.720 7.748 -11.162 1.00 0.00 C ATOM 1127 C LEU A 73 24.749 8.082 -12.238 1.00 0.00 C ATOM 1128 O LEU A 73 24.570 7.746 -13.409 1.00 0.00 O ATOM 1129 CB LEU A 73 23.031 9.028 -10.685 1.00 0.00 C ATOM 1130 CG LEU A 73 22.354 9.869 -11.767 1.00 0.00 C ATOM 1131 CD1 LEU A 73 21.214 9.094 -12.410 1.00 0.00 C ATOM 1132 CD2 LEU A 73 21.847 11.180 -11.185 1.00 0.00 C ATOM 0 H LEU A 73 24.438 7.630 -9.196 1.00 0.00 H new ATOM 0 HA LEU A 73 22.974 7.080 -11.593 1.00 0.00 H new ATOM 0 HB2 LEU A 73 22.282 8.758 -9.941 1.00 0.00 H new ATOM 0 HB3 LEU A 73 23.771 9.649 -10.181 1.00 0.00 H new ATOM 0 HG LEU A 73 23.091 10.097 -12.537 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.744 9.708 -13.178 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.604 8.182 -12.863 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.476 8.835 -11.651 1.00 0.00 H new ATOM 0 HD21 LEU A 73 21.368 11.765 -11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 73 21.125 10.972 -10.395 1.00 0.00 H new ATOM 0 HD23 LEU A 73 22.684 11.743 -10.772 1.00 0.00 H new ATOM 1144 N LEU A 74 25.828 8.742 -11.833 1.00 0.00 N ATOM 1145 CA LEU A 74 26.888 9.120 -12.761 1.00 0.00 C ATOM 1146 C LEU A 74 27.309 7.932 -13.620 1.00 0.00 C ATOM 1147 O LEU A 74 27.568 8.077 -14.814 1.00 0.00 O ATOM 1148 CB LEU A 74 28.095 9.664 -11.995 1.00 0.00 C ATOM 1149 CG LEU A 74 28.066 11.158 -11.670 1.00 0.00 C ATOM 1150 CD1 LEU A 74 29.260 11.539 -10.809 1.00 0.00 C ATOM 1151 CD2 LEU A 74 28.044 11.981 -12.950 1.00 0.00 C ATOM 0 H LEU A 74 25.992 9.027 -10.867 1.00 0.00 H new ATOM 0 HA LEU A 74 26.501 9.900 -13.417 1.00 0.00 H new ATOM 0 HB2 LEU A 74 28.186 9.111 -11.060 1.00 0.00 H new ATOM 0 HB3 LEU A 74 28.993 9.457 -12.577 1.00 0.00 H new ATOM 0 HG LEU A 74 27.156 11.372 -11.109 1.00 0.00 H new ATOM 0 HD11 LEU A 74 29.223 12.606 -10.587 1.00 0.00 H new ATOM 0 HD12 LEU A 74 29.232 10.974 -9.877 1.00 0.00 H new ATOM 0 HD13 LEU A 74 30.182 11.311 -11.344 1.00 0.00 H new ATOM 0 HD21 LEU A 74 28.023 13.042 -12.700 1.00 0.00 H new ATOM 0 HD22 LEU A 74 28.936 11.764 -13.538 1.00 0.00 H new ATOM 0 HD23 LEU A 74 27.157 11.728 -13.530 1.00 0.00 H new ATOM 1163 N ASP A 75 27.373 6.757 -13.003 1.00 0.00 N ATOM 1164 CA ASP A 75 27.759 5.542 -13.711 1.00 0.00 C ATOM 1165 C ASP A 75 26.641 5.074 -14.637 1.00 0.00 C ATOM 1166 O ASP A 75 26.895 4.600 -15.744 1.00 0.00 O ATOM 1167 CB ASP A 75 28.111 4.435 -12.716 1.00 0.00 C ATOM 1168 CG ASP A 75 29.145 3.471 -13.263 1.00 0.00 C ATOM 1169 OD1 ASP A 75 30.294 3.901 -13.493 1.00 0.00 O ATOM 1170 OD2 ASP A 75 28.804 2.286 -13.460 1.00 0.00 O ATOM 0 H ASP A 75 27.163 6.620 -12.014 1.00 0.00 H new ATOM 0 HA ASP A 75 28.637 5.768 -14.316 1.00 0.00 H new ATOM 0 HB2 ASP A 75 28.487 4.883 -11.797 1.00 0.00 H new ATOM 0 HB3 ASP A 75 27.207 3.884 -12.455 1.00 0.00 H new ATOM 1175 N MET A 76 25.402 5.209 -14.175 1.00 0.00 N ATOM 1176 CA MET A 76 24.244 4.800 -14.962 1.00 0.00 C ATOM 1177 C MET A 76 24.109 5.658 -16.216 1.00 0.00 C ATOM 1178 O MET A 76 23.626 5.193 -17.249 1.00 0.00 O ATOM 1179 CB MET A 76 22.969 4.899 -14.123 1.00 0.00 C ATOM 1180 CG MET A 76 22.764 3.717 -13.189 1.00 0.00 C ATOM 1181 SD MET A 76 22.793 2.135 -14.053 1.00 0.00 S ATOM 1182 CE MET A 76 21.470 2.372 -15.238 1.00 0.00 C ATOM 0 H MET A 76 25.174 5.598 -13.260 1.00 0.00 H new ATOM 0 HA MET A 76 24.390 3.763 -15.266 1.00 0.00 H new ATOM 0 HB2 MET A 76 23.001 5.816 -13.534 1.00 0.00 H new ATOM 0 HB3 MET A 76 22.110 4.978 -14.790 1.00 0.00 H new ATOM 0 HG2 MET A 76 23.542 3.724 -12.425 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.810 3.828 -12.674 1.00 0.00 H new ATOM 0 HE1 MET A 76 20.994 1.414 -15.448 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.732 3.061 -14.827 1.00 0.00 H new ATOM 0 HE3 MET A 76 21.878 2.785 -16.161 1.00 0.00 H new ATOM 1192 N ILE A 77 24.537 6.912 -16.119 1.00 0.00 N ATOM 1193 CA ILE A 77 24.464 7.834 -17.245 1.00 0.00 C ATOM 1194 C ILE A 77 25.665 7.668 -18.171 1.00 0.00 C ATOM 1195 O ILE A 77 25.523 7.673 -19.393 1.00 0.00 O ATOM 1196 CB ILE A 77 24.394 9.298 -16.772 1.00 0.00 C ATOM 1197 CG1 ILE A 77 23.238 9.483 -15.787 1.00 0.00 C ATOM 1198 CG2 ILE A 77 24.238 10.233 -17.962 1.00 0.00 C ATOM 1199 CD1 ILE A 77 23.170 10.871 -15.189 1.00 0.00 C ATOM 0 H ILE A 77 24.938 7.313 -15.271 1.00 0.00 H new ATOM 0 HA ILE A 77 23.551 7.593 -17.790 1.00 0.00 H new ATOM 0 HB ILE A 77 25.325 9.544 -16.262 1.00 0.00 H new ATOM 0 HG12 ILE A 77 22.299 9.270 -16.297 1.00 0.00 H new ATOM 0 HG13 ILE A 77 23.336 8.754 -14.983 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.190 11.264 -17.611 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.091 10.117 -18.630 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.321 9.989 -18.498 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.327 10.930 -14.501 1.00 0.00 H new ATOM 0 HD12 ILE A 77 24.094 11.081 -14.650 1.00 0.00 H new ATOM 0 HD13 ILE A 77 23.040 11.604 -15.985 1.00 0.00 H new ATOM 1211 N GLU A 78 26.845 7.519 -17.578 1.00 0.00 N ATOM 1212 CA GLU A 78 28.071 7.348 -18.350 1.00 0.00 C ATOM 1213 C GLU A 78 27.860 6.359 -19.493 1.00 0.00 C ATOM 1214 O GLU A 78 28.399 6.531 -20.587 1.00 0.00 O ATOM 1215 CB GLU A 78 29.207 6.866 -17.446 1.00 0.00 C ATOM 1216 CG GLU A 78 30.582 7.323 -17.901 1.00 0.00 C ATOM 1217 CD GLU A 78 31.691 6.412 -17.411 1.00 0.00 C ATOM 1218 OE1 GLU A 78 31.471 5.691 -16.416 1.00 0.00 O ATOM 1219 OE2 GLU A 78 32.779 6.420 -18.024 1.00 0.00 O ATOM 0 H GLU A 78 26.978 7.513 -16.567 1.00 0.00 H new ATOM 0 HA GLU A 78 28.341 8.315 -18.774 1.00 0.00 H new ATOM 0 HB2 GLU A 78 29.031 7.226 -16.432 1.00 0.00 H new ATOM 0 HB3 GLU A 78 29.190 5.777 -17.405 1.00 0.00 H new ATOM 0 HG2 GLU A 78 30.605 7.364 -18.990 1.00 0.00 H new ATOM 0 HG3 GLU A 78 30.762 8.335 -17.540 1.00 0.00 H new ATOM 1226 N THR A 79 27.073 5.320 -19.231 1.00 0.00 N ATOM 1227 CA THR A 79 26.792 4.302 -20.235 1.00 0.00 C ATOM 1228 C THR A 79 25.849 4.834 -21.309 1.00 0.00 C ATOM 1229 O THR A 79 25.909 4.415 -22.465 1.00 0.00 O ATOM 1230 CB THR A 79 26.171 3.044 -19.601 1.00 0.00 C ATOM 1231 OG1 THR A 79 26.198 1.959 -20.535 1.00 0.00 O ATOM 1232 CG2 THR A 79 24.737 3.308 -19.166 1.00 0.00 C ATOM 0 H THR A 79 26.619 5.162 -18.331 1.00 0.00 H new ATOM 0 HA THR A 79 27.746 4.037 -20.691 1.00 0.00 H new ATOM 0 HB THR A 79 26.759 2.781 -18.722 1.00 0.00 H new ATOM 0 HG1 THR A 79 25.803 1.163 -20.123 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.320 2.405 -18.721 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.722 4.114 -18.432 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.141 3.595 -20.032 1.00 0.00 H new ATOM 1240 N LEU A 80 24.979 5.760 -20.920 1.00 0.00 N ATOM 1241 CA LEU A 80 24.023 6.350 -21.850 1.00 0.00 C ATOM 1242 C LEU A 80 24.735 7.205 -22.894 1.00 0.00 C ATOM 1243 O LEU A 80 24.217 7.429 -23.987 1.00 0.00 O ATOM 1244 CB LEU A 80 23.001 7.199 -21.091 1.00 0.00 C ATOM 1245 CG LEU A 80 22.072 6.441 -20.142 1.00 0.00 C ATOM 1246 CD1 LEU A 80 21.175 7.409 -19.387 1.00 0.00 C ATOM 1247 CD2 LEU A 80 21.238 5.426 -20.910 1.00 0.00 C ATOM 0 H LEU A 80 24.916 6.118 -19.967 1.00 0.00 H new ATOM 0 HA LEU A 80 23.505 5.539 -22.363 1.00 0.00 H new ATOM 0 HB2 LEU A 80 23.540 7.952 -20.516 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.389 7.731 -21.819 1.00 0.00 H new ATOM 0 HG LEU A 80 22.684 5.904 -19.417 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.521 6.851 -18.717 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.789 8.097 -18.806 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.571 7.974 -20.097 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.583 4.896 -20.219 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.636 5.941 -21.658 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.897 4.713 -21.404 1.00 0.00 H new ATOM 1259 N LYS A 81 25.928 7.678 -22.549 1.00 0.00 N ATOM 1260 CA LYS A 81 26.715 8.505 -23.457 1.00 0.00 C ATOM 1261 C LYS A 81 27.582 7.642 -24.367 1.00 0.00 C ATOM 1262 O LYS A 81 27.453 7.690 -25.590 1.00 0.00 O ATOM 1263 CB LYS A 81 27.596 9.473 -22.663 1.00 0.00 C ATOM 1264 CG LYS A 81 26.849 10.691 -22.146 1.00 0.00 C ATOM 1265 CD LYS A 81 26.350 10.478 -20.727 1.00 0.00 C ATOM 1266 CE LYS A 81 27.467 10.653 -19.711 1.00 0.00 C ATOM 1267 NZ LYS A 81 28.047 12.024 -19.754 1.00 0.00 N ATOM 0 H LYS A 81 26.371 7.503 -21.647 1.00 0.00 H new ATOM 0 HA LYS A 81 26.025 9.076 -24.078 1.00 0.00 H new ATOM 0 HB2 LYS A 81 28.036 8.942 -21.819 1.00 0.00 H new ATOM 0 HB3 LYS A 81 28.420 9.804 -23.296 1.00 0.00 H new ATOM 0 HG2 LYS A 81 27.505 11.561 -22.175 1.00 0.00 H new ATOM 0 HG3 LYS A 81 26.005 10.906 -22.801 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.548 11.184 -20.513 1.00 0.00 H new ATOM 0 HD3 LYS A 81 25.927 9.478 -20.635 1.00 0.00 H new ATOM 0 HE2 LYS A 81 27.083 10.453 -18.711 1.00 0.00 H new ATOM 0 HE3 LYS A 81 28.251 9.921 -19.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 28.558 12.213 -18.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.705 12.098 -20.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 27.283 12.721 -19.868 1.00 0.00 H new ATOM 1281 N MET A 82 28.463 6.852 -23.763 1.00 0.00 N ATOM 1282 CA MET A 82 29.350 5.976 -24.520 1.00 0.00 C ATOM 1283 C MET A 82 28.645 5.427 -25.757 1.00 0.00 C ATOM 1284 O MET A 82 29.279 5.171 -26.780 1.00 0.00 O ATOM 1285 CB MET A 82 29.835 4.822 -23.641 1.00 0.00 C ATOM 1286 CG MET A 82 28.843 3.675 -23.541 1.00 0.00 C ATOM 1287 SD MET A 82 29.569 2.191 -22.818 1.00 0.00 S ATOM 1288 CE MET A 82 30.361 2.874 -21.365 1.00 0.00 C ATOM 0 H MET A 82 28.582 6.800 -22.751 1.00 0.00 H new ATOM 0 HA MET A 82 30.210 6.563 -24.843 1.00 0.00 H new ATOM 0 HB2 MET A 82 30.776 4.444 -24.039 1.00 0.00 H new ATOM 0 HB3 MET A 82 30.042 5.201 -22.640 1.00 0.00 H new ATOM 0 HG2 MET A 82 27.990 3.988 -22.939 1.00 0.00 H new ATOM 0 HG3 MET A 82 28.462 3.441 -24.535 1.00 0.00 H new ATOM 0 HE1 MET A 82 30.365 2.129 -20.569 1.00 0.00 H new ATOM 0 HE2 MET A 82 31.387 3.153 -21.607 1.00 0.00 H new ATOM 0 HE3 MET A 82 29.814 3.756 -21.033 1.00 0.00 H new