USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 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 72 MET CE :methyl 161:sc= -0.0729 (180deg=-0.876) USER MOD Set 1.2: A 89 MET CE :methyl 146:sc= -0.0325 (180deg=-0.0149) USER MOD Single : A 15 SER OG : rot 39:sc= 0.15 USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= 0.718 (180deg=0.712) USER MOD Single : A 20 ASN : amide:sc= 1.05 K(o=1,f=-4.6!) USER MOD Single : A 22 THR OG1 : rot -42:sc= 0.454 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 122:sc= 0.204 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -90:sc= 0.103 USER MOD Single : A 44 TYR OH : rot -105:sc= 0.937 USER MOD Single : A 63 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -169:sc= -0.503 (180deg=-1.02) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.740 6.790 5.019 1.00 0.00 N ATOM 204 CA SER A 15 10.489 6.659 4.283 1.00 0.00 C ATOM 205 C SER A 15 10.154 5.208 3.978 1.00 0.00 C ATOM 206 O SER A 15 11.033 4.412 3.657 1.00 0.00 O ATOM 207 CB SER A 15 10.583 7.458 2.989 1.00 0.00 C ATOM 208 OG SER A 15 10.829 8.813 3.287 1.00 0.00 O ATOM 0 HA SER A 15 9.686 7.049 4.908 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.382 7.062 2.363 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.657 7.362 2.422 1.00 0.00 H new ATOM 0 HG SER A 15 11.457 8.874 4.037 1.00 0.00 H new ATOM 214 N LEU A 16 8.866 4.888 4.080 1.00 0.00 N ATOM 215 CA LEU A 16 8.350 3.577 3.689 1.00 0.00 C ATOM 216 C LEU A 16 7.725 3.717 2.305 1.00 0.00 C ATOM 217 O LEU A 16 7.406 4.835 1.914 1.00 0.00 O ATOM 218 CB LEU A 16 7.291 3.128 4.695 1.00 0.00 C ATOM 219 CG LEU A 16 6.799 1.693 4.471 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.920 0.688 4.733 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.620 1.396 5.391 1.00 0.00 C ATOM 0 H LEU A 16 8.153 5.526 4.434 1.00 0.00 H new ATOM 0 HA LEU A 16 9.150 2.836 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.701 3.209 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.440 3.807 4.641 1.00 0.00 H new ATOM 0 HG LEU A 16 6.482 1.599 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.548 -0.323 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.751 0.884 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.262 0.785 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.277 0.375 5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.931 1.510 6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.808 2.091 5.177 1.00 0.00 H new ATOM 233 N LYS A 17 7.566 2.590 1.604 1.00 0.00 N ATOM 234 CA LYS A 17 6.908 2.453 0.307 1.00 0.00 C ATOM 235 C LYS A 17 6.080 1.169 0.342 1.00 0.00 C ATOM 236 O LYS A 17 6.523 0.138 0.849 1.00 0.00 O ATOM 237 CB LYS A 17 7.967 2.419 -0.805 1.00 0.00 C ATOM 238 CG LYS A 17 7.566 1.670 -2.081 1.00 0.00 C ATOM 239 CD LYS A 17 6.481 2.389 -2.875 1.00 0.00 C ATOM 240 CE LYS A 17 5.950 1.491 -3.992 1.00 0.00 C ATOM 241 NZ LYS A 17 7.016 1.041 -4.910 1.00 0.00 N ATOM 0 H LYS A 17 7.916 1.697 1.951 1.00 0.00 H new ATOM 0 HA LYS A 17 6.251 3.298 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.220 3.445 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.872 1.961 -0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.445 1.541 -2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.215 0.673 -1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.665 2.674 -2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.883 3.309 -3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.461 0.621 -3.553 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.191 2.031 -4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.617 0.382 -5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.421 1.863 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.762 0.561 -4.367 1.00 0.00 H new ATOM 255 N VAL A 18 4.867 1.226 -0.208 1.00 0.00 N ATOM 256 CA VAL A 18 4.009 0.052 -0.345 1.00 0.00 C ATOM 257 C VAL A 18 3.544 -0.061 -1.778 1.00 0.00 C ATOM 258 O VAL A 18 3.250 0.963 -2.393 1.00 0.00 O ATOM 259 CB VAL A 18 2.811 0.178 0.579 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.657 -0.724 0.125 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.236 -0.164 1.999 1.00 0.00 C ATOM 0 H VAL A 18 4.454 2.085 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 18 4.570 -0.842 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 18 2.449 1.206 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.815 -0.610 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.348 -0.441 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.986 -1.763 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.379 -0.075 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.615 -1.186 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.019 0.523 2.320 1.00 0.00 H new ATOM 271 N ASP A 19 3.491 -1.318 -2.243 1.00 0.00 N ATOM 272 CA ASP A 19 3.346 -1.754 -3.627 1.00 0.00 C ATOM 273 C ASP A 19 2.391 -2.949 -3.732 1.00 0.00 C ATOM 274 O ASP A 19 1.880 -3.432 -2.724 1.00 0.00 O ATOM 275 CB ASP A 19 4.758 -2.149 -4.061 1.00 0.00 C ATOM 276 CG ASP A 19 5.023 -2.148 -5.561 1.00 0.00 C ATOM 277 OD1 ASP A 19 4.583 -3.107 -6.234 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.665 -1.177 -6.023 1.00 0.00 O ATOM 0 H ASP A 19 3.554 -2.112 -1.606 1.00 0.00 H new ATOM 0 HA ASP A 19 2.923 -0.973 -4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.465 -1.469 -3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.969 -3.147 -3.676 1.00 0.00 H new ATOM 283 N ASN A 20 2.166 -3.422 -4.964 1.00 0.00 N ATOM 284 CA ASN A 20 1.286 -4.525 -5.324 1.00 0.00 C ATOM 285 C ASN A 20 -0.185 -4.245 -5.038 1.00 0.00 C ATOM 286 O ASN A 20 -0.611 -4.193 -3.887 1.00 0.00 O ATOM 287 CB ASN A 20 1.749 -5.834 -4.695 1.00 0.00 C ATOM 288 CG ASN A 20 1.226 -7.017 -5.500 1.00 0.00 C ATOM 289 OD1 ASN A 20 1.041 -6.930 -6.709 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.980 -8.139 -4.842 1.00 0.00 N ATOM 0 H ASN A 20 2.624 -3.016 -5.780 1.00 0.00 H new ATOM 0 HA ASN A 20 1.359 -4.630 -6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.838 -5.863 -4.657 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.393 -5.898 -3.667 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.628 -8.956 -5.341 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.142 -8.186 -3.836 1.00 0.00 H new ATOM 297 N LEU A 21 -0.957 -4.065 -6.116 1.00 0.00 N ATOM 298 CA LEU A 21 -2.382 -3.770 -6.069 1.00 0.00 C ATOM 299 C LEU A 21 -3.125 -4.607 -7.103 1.00 0.00 C ATOM 300 O LEU A 21 -2.506 -5.241 -7.953 1.00 0.00 O ATOM 301 CB LEU A 21 -2.616 -2.302 -6.422 1.00 0.00 C ATOM 302 CG LEU A 21 -1.754 -1.312 -5.651 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.098 0.062 -6.224 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.031 -1.329 -4.155 1.00 0.00 C ATOM 0 H LEU A 21 -0.592 -4.123 -7.067 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.742 -3.993 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.434 -2.166 -7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.665 -2.063 -6.245 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.701 -1.569 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.512 0.826 -5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.868 0.080 -7.289 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.160 0.261 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.387 -0.603 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.075 -1.072 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.829 -2.324 -3.759 1.00 0.00 H new ATOM 316 N THR A 22 -4.459 -4.601 -7.026 1.00 0.00 N ATOM 317 CA THR A 22 -5.304 -5.338 -7.955 1.00 0.00 C ATOM 318 C THR A 22 -6.179 -4.393 -8.781 1.00 0.00 C ATOM 319 O THR A 22 -7.105 -4.859 -9.434 1.00 0.00 O ATOM 320 CB THR A 22 -6.146 -6.364 -7.184 1.00 0.00 C ATOM 321 OG1 THR A 22 -6.738 -7.283 -8.074 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.232 -5.697 -6.340 1.00 0.00 C ATOM 0 H THR A 22 -4.978 -4.084 -6.316 1.00 0.00 H new ATOM 0 HA THR A 22 -4.669 -5.873 -8.661 1.00 0.00 H new ATOM 0 HB THR A 22 -5.471 -6.890 -6.509 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.080 -6.805 -8.858 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.803 -6.461 -5.812 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.770 -5.025 -5.617 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.899 -5.129 -6.988 1.00 0.00 H new ATOM 329 N TYR A 23 -5.875 -3.086 -8.737 1.00 0.00 N ATOM 330 CA TYR A 23 -6.553 -1.998 -9.456 1.00 0.00 C ATOM 331 C TYR A 23 -7.721 -1.418 -8.669 1.00 0.00 C ATOM 332 O TYR A 23 -8.302 -0.404 -9.055 1.00 0.00 O ATOM 333 CB TYR A 23 -6.963 -2.416 -10.872 1.00 0.00 C ATOM 334 CG TYR A 23 -8.443 -2.324 -11.175 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.364 -3.183 -10.553 1.00 0.00 C ATOM 336 CD2 TYR A 23 -8.896 -1.356 -12.088 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.732 -3.082 -10.851 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.260 -1.244 -12.385 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.185 -2.112 -11.766 1.00 0.00 C ATOM 340 OH TYR A 23 -12.513 -2.013 -12.050 1.00 0.00 O ATOM 0 H TYR A 23 -5.104 -2.741 -8.165 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.824 -1.194 -9.560 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.424 -1.793 -11.586 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.639 -3.444 -11.037 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.019 -3.922 -9.845 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.187 -0.694 -12.564 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.438 -3.749 -10.378 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.603 -0.496 -13.085 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.656 -1.293 -12.699 1.00 0.00 H new ATOM 350 N ARG A 24 -8.065 -2.067 -7.557 1.00 0.00 N ATOM 351 CA ARG A 24 -9.203 -1.686 -6.725 1.00 0.00 C ATOM 352 C ARG A 24 -8.828 -1.603 -5.243 1.00 0.00 C ATOM 353 O ARG A 24 -9.678 -1.322 -4.406 1.00 0.00 O ATOM 354 CB ARG A 24 -10.314 -2.706 -6.995 1.00 0.00 C ATOM 355 CG ARG A 24 -11.634 -2.383 -6.288 1.00 0.00 C ATOM 356 CD ARG A 24 -12.714 -3.333 -6.797 1.00 0.00 C ATOM 357 NE ARG A 24 -14.016 -3.057 -6.168 1.00 0.00 N ATOM 358 CZ ARG A 24 -14.906 -2.172 -6.627 1.00 0.00 C ATOM 359 NH1 ARG A 24 -14.656 -1.453 -7.718 1.00 0.00 N ATOM 360 NH2 ARG A 24 -16.060 -2.007 -5.986 1.00 0.00 N ATOM 0 H ARG A 24 -7.556 -2.879 -7.206 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.547 -0.684 -6.980 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.492 -2.760 -8.069 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.974 -3.692 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.519 -2.487 -5.209 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.921 -1.349 -6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.804 -3.237 -7.879 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.421 -4.362 -6.592 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.255 -3.577 -5.324 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.775 -1.573 -8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.346 -0.782 -8.055 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.261 -2.554 -5.149 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.743 -1.333 -6.331 1.00 0.00 H new ATOM 374 N THR A 25 -7.559 -1.846 -4.908 1.00 0.00 N ATOM 375 CA THR A 25 -7.080 -1.730 -3.532 1.00 0.00 C ATOM 376 C THR A 25 -7.232 -0.293 -3.026 1.00 0.00 C ATOM 377 O THR A 25 -7.588 -0.095 -1.867 1.00 0.00 O ATOM 378 CB THR A 25 -5.618 -2.174 -3.483 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.533 -3.547 -3.801 1.00 0.00 O ATOM 380 CG2 THR A 25 -5.019 -1.923 -2.103 1.00 0.00 C ATOM 0 H THR A 25 -6.842 -2.126 -5.577 1.00 0.00 H new ATOM 0 HA THR A 25 -7.675 -2.370 -2.881 1.00 0.00 H new ATOM 0 HB THR A 25 -5.052 -1.592 -4.211 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.596 -3.832 -3.772 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.978 -2.247 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.070 -0.859 -1.872 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.580 -2.483 -1.355 1.00 0.00 H new ATOM 387 N SER A 26 -6.971 0.693 -3.893 1.00 0.00 N ATOM 388 CA SER A 26 -7.113 2.126 -3.636 1.00 0.00 C ATOM 389 C SER A 26 -6.320 2.682 -2.440 1.00 0.00 C ATOM 390 O SER A 26 -5.999 1.967 -1.494 1.00 0.00 O ATOM 391 CB SER A 26 -8.602 2.455 -3.505 1.00 0.00 C ATOM 392 OG SER A 26 -9.257 2.153 -4.725 1.00 0.00 O ATOM 0 H SER A 26 -6.639 0.501 -4.838 1.00 0.00 H new ATOM 0 HA SER A 26 -6.664 2.629 -4.492 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.043 1.881 -2.690 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.733 3.509 -3.260 1.00 0.00 H new ATOM 0 HG SER A 26 -10.211 2.361 -4.644 1.00 0.00 H new ATOM 398 N PRO A 27 -5.997 3.987 -2.480 1.00 0.00 N ATOM 399 CA PRO A 27 -5.244 4.685 -1.437 1.00 0.00 C ATOM 400 C PRO A 27 -6.006 4.754 -0.118 1.00 0.00 C ATOM 401 O PRO A 27 -5.378 4.829 0.934 1.00 0.00 O ATOM 402 CB PRO A 27 -4.987 6.091 -1.985 1.00 0.00 C ATOM 403 CG PRO A 27 -6.042 6.294 -3.069 1.00 0.00 C ATOM 404 CD PRO A 27 -6.330 4.883 -3.575 1.00 0.00 C ATOM 0 HA PRO A 27 -4.319 4.153 -1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.078 6.843 -1.201 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.980 6.177 -2.394 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.940 6.765 -2.669 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.674 6.937 -3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.377 4.777 -3.861 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.734 4.657 -4.459 1.00 0.00 H new ATOM 412 N ASP A 28 -7.339 4.730 -0.148 1.00 0.00 N ATOM 413 CA ASP A 28 -8.118 4.864 1.079 1.00 0.00 C ATOM 414 C ASP A 28 -8.032 3.609 1.934 1.00 0.00 C ATOM 415 O ASP A 28 -7.892 3.700 3.153 1.00 0.00 O ATOM 416 CB ASP A 28 -9.580 5.097 0.718 1.00 0.00 C ATOM 417 CG ASP A 28 -10.417 5.397 1.958 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.506 6.589 2.320 1.00 0.00 O ATOM 419 OD2 ASP A 28 -10.964 4.429 2.536 1.00 0.00 O ATOM 0 H ASP A 28 -7.894 4.621 -0.997 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.713 5.703 1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.655 5.928 0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.977 4.216 0.213 1.00 0.00 H new ATOM 424 N THR A 29 -8.113 2.434 1.303 1.00 0.00 N ATOM 425 CA THR A 29 -8.055 1.189 2.049 1.00 0.00 C ATOM 426 C THR A 29 -6.662 1.062 2.635 1.00 0.00 C ATOM 427 O THR A 29 -6.502 0.672 3.784 1.00 0.00 O ATOM 428 CB THR A 29 -8.318 0.003 1.122 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.496 0.238 0.379 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.492 -1.284 1.922 1.00 0.00 C ATOM 0 H THR A 29 -8.217 2.326 0.294 1.00 0.00 H new ATOM 0 HA THR A 29 -8.811 1.192 2.834 1.00 0.00 H new ATOM 0 HB THR A 29 -7.463 -0.106 0.455 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.289 0.214 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.678 -2.114 1.240 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.586 -1.481 2.495 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.336 -1.178 2.603 1.00 0.00 H new ATOM 437 N LEU A 30 -5.654 1.403 1.832 1.00 0.00 N ATOM 438 CA LEU A 30 -4.276 1.359 2.275 1.00 0.00 C ATOM 439 C LEU A 30 -4.073 2.322 3.437 1.00 0.00 C ATOM 440 O LEU A 30 -3.303 2.033 4.346 1.00 0.00 O ATOM 441 CB LEU A 30 -3.370 1.765 1.116 1.00 0.00 C ATOM 442 CG LEU A 30 -3.416 0.770 -0.043 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.819 1.441 -1.276 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.621 -0.489 0.287 1.00 0.00 C ATOM 0 H LEU A 30 -5.776 1.713 0.868 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.032 0.349 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.666 2.750 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.344 1.852 1.475 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.450 0.479 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.843 0.746 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.400 2.330 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.787 1.727 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.670 -1.181 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.581 -0.223 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.043 -0.964 1.173 1.00 0.00 H new ATOM 456 N ARG A 31 -4.757 3.472 3.419 1.00 0.00 N ATOM 457 CA ARG A 31 -4.561 4.478 4.446 1.00 0.00 C ATOM 458 C ARG A 31 -4.868 3.896 5.815 1.00 0.00 C ATOM 459 O ARG A 31 -4.030 3.930 6.709 1.00 0.00 O ATOM 460 CB ARG A 31 -5.472 5.682 4.159 1.00 0.00 C ATOM 461 CG ARG A 31 -4.909 7.003 4.686 1.00 0.00 C ATOM 462 CD ARG A 31 -4.411 6.912 6.125 1.00 0.00 C ATOM 463 NE ARG A 31 -3.992 8.229 6.621 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.766 9.055 7.331 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.018 8.733 7.642 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.285 10.225 7.735 1.00 0.00 N ATOM 0 H ARG A 31 -5.444 3.720 2.707 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.521 4.806 4.438 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.627 5.764 3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.449 5.506 4.609 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.088 7.323 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.681 7.770 4.623 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.200 6.514 6.762 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.574 6.215 6.181 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.043 8.535 6.408 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.406 7.840 7.338 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.591 9.379 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.328 10.490 7.503 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.873 10.858 8.277 1.00 0.00 H new ATOM 480 N ARG A 32 -6.073 3.353 5.982 1.00 0.00 N ATOM 481 CA ARG A 32 -6.507 2.800 7.266 1.00 0.00 C ATOM 482 C ARG A 32 -5.981 1.384 7.512 1.00 0.00 C ATOM 483 O ARG A 32 -6.194 0.827 8.585 1.00 0.00 O ATOM 484 CB ARG A 32 -8.038 2.852 7.308 1.00 0.00 C ATOM 485 CG ARG A 32 -8.641 1.959 6.217 1.00 0.00 C ATOM 486 CD ARG A 32 -9.862 2.625 5.580 1.00 0.00 C ATOM 487 NE ARG A 32 -10.944 2.819 6.550 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.062 3.503 6.286 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.258 4.051 5.086 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.989 3.643 7.229 1.00 0.00 N ATOM 0 H ARG A 32 -6.770 3.284 5.240 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.087 3.401 8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.391 2.527 8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.376 3.879 7.172 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.892 1.756 5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.928 0.998 6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.573 3.589 5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.221 2.012 4.753 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.838 2.409 7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.551 3.951 4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.115 4.571 4.896 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.846 3.229 8.150 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.843 4.164 7.031 1.00 0.00 H new ATOM 504 N VAL A 33 -5.297 0.801 6.523 1.00 0.00 N ATOM 505 CA VAL A 33 -4.640 -0.498 6.653 1.00 0.00 C ATOM 506 C VAL A 33 -3.189 -0.336 7.086 1.00 0.00 C ATOM 507 O VAL A 33 -2.561 -1.300 7.524 1.00 0.00 O ATOM 508 CB VAL A 33 -4.712 -1.215 5.300 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.669 -2.321 5.146 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.095 -1.844 5.156 1.00 0.00 C ATOM 0 H VAL A 33 -5.184 1.224 5.602 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.148 -1.085 7.418 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.514 -0.468 4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.775 -2.787 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.670 -1.895 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.817 -3.071 5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.163 -2.359 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.256 -2.558 5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.856 -1.065 5.204 1.00 0.00 H new ATOM 520 N PHE A 34 -2.646 0.875 6.970 1.00 0.00 N ATOM 521 CA PHE A 34 -1.244 1.123 7.273 1.00 0.00 C ATOM 522 C PHE A 34 -1.094 2.172 8.358 1.00 0.00 C ATOM 523 O PHE A 34 -0.223 2.044 9.218 1.00 0.00 O ATOM 524 CB PHE A 34 -0.552 1.567 5.986 1.00 0.00 C ATOM 525 CG PHE A 34 -0.047 0.421 5.157 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.117 -0.240 5.555 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.729 0.019 4.004 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.597 -1.321 4.803 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.246 -1.049 3.242 1.00 0.00 C ATOM 530 CZ PHE A 34 0.913 -1.727 3.648 1.00 0.00 C ATOM 0 H PHE A 34 -3.162 1.701 6.667 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.782 0.211 7.650 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.250 2.157 5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.284 2.220 6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.646 0.081 6.440 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.629 0.534 3.702 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.492 -1.840 5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.764 -1.351 2.344 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.279 -2.563 3.070 1.00 0.00 H new ATOM 540 N GLU A 35 -1.924 3.213 8.341 1.00 0.00 N ATOM 541 CA GLU A 35 -1.818 4.222 9.375 1.00 0.00 C ATOM 542 C GLU A 35 -2.225 3.640 10.723 1.00 0.00 C ATOM 543 O GLU A 35 -1.915 4.209 11.767 1.00 0.00 O ATOM 544 CB GLU A 35 -2.659 5.459 9.030 1.00 0.00 C ATOM 545 CG GLU A 35 -4.135 5.345 9.416 1.00 0.00 C ATOM 546 CD GLU A 35 -4.398 5.698 10.881 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.867 6.736 11.336 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.131 4.921 11.531 1.00 0.00 O ATOM 0 H GLU A 35 -2.652 3.372 7.645 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.778 4.541 9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.230 6.327 9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.589 5.644 7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.724 6.004 8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.477 4.328 9.226 1.00 0.00 H new ATOM 555 N LYS A 36 -2.921 2.497 10.689 1.00 0.00 N ATOM 556 CA LYS A 36 -3.436 1.859 11.885 1.00 0.00 C ATOM 557 C LYS A 36 -2.317 1.486 12.840 1.00 0.00 C ATOM 558 O LYS A 36 -2.507 1.512 14.056 1.00 0.00 O ATOM 559 CB LYS A 36 -4.226 0.614 11.489 1.00 0.00 C ATOM 560 CG LYS A 36 -3.334 -0.457 10.848 1.00 0.00 C ATOM 561 CD LYS A 36 -4.148 -1.595 10.232 1.00 0.00 C ATOM 562 CE LYS A 36 -5.230 -2.105 11.179 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.836 -3.352 10.676 1.00 0.00 N ATOM 0 H LYS A 36 -3.138 1.996 9.827 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.088 2.564 12.401 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.713 0.199 12.371 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.015 0.893 10.791 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.714 0.002 10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.658 -0.862 11.601 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.610 -1.250 9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.481 -2.416 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.801 -2.279 12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.002 -1.344 11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.568 -3.675 11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.266 -3.178 9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.102 -4.083 10.587 1.00 0.00 H new ATOM 577 N TYR A 37 -1.148 1.143 12.292 1.00 0.00 N ATOM 578 CA TYR A 37 -0.009 0.782 13.116 1.00 0.00 C ATOM 579 C TYR A 37 0.651 2.014 13.732 1.00 0.00 C ATOM 580 O TYR A 37 1.372 1.898 14.720 1.00 0.00 O ATOM 581 CB TYR A 37 1.008 0.028 12.266 1.00 0.00 C ATOM 582 CG TYR A 37 0.459 -1.257 11.698 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.515 -2.434 12.462 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.115 -1.274 10.418 1.00 0.00 C ATOM 585 CE1 TYR A 37 -0.005 -3.628 11.949 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.626 -2.469 9.895 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.575 -3.653 10.658 1.00 0.00 C ATOM 588 OH TYR A 37 -1.072 -4.817 10.155 1.00 0.00 O ATOM 0 H TYR A 37 -0.974 1.110 11.288 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.363 0.150 13.930 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.338 0.669 11.449 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.887 -0.194 12.871 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.960 -2.418 13.446 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.163 -0.366 9.836 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.030 -4.530 12.541 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.060 -2.483 8.906 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.364 -5.294 9.674 1.00 0.00 H new ATOM 598 N GLY A 38 0.406 3.192 13.153 1.00 0.00 N ATOM 599 CA GLY A 38 0.905 4.440 13.711 1.00 0.00 C ATOM 600 C GLY A 38 0.381 5.650 12.948 1.00 0.00 C ATOM 601 O GLY A 38 -0.396 6.429 13.497 1.00 0.00 O ATOM 0 H GLY A 38 -0.137 3.302 12.296 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.609 4.514 14.758 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.995 4.439 13.687 1.00 0.00 H new ATOM 605 N ARG A 39 0.801 5.805 11.687 1.00 0.00 N ATOM 606 CA ARG A 39 0.323 6.875 10.826 1.00 0.00 C ATOM 607 C ARG A 39 0.770 6.648 9.387 1.00 0.00 C ATOM 608 O ARG A 39 1.611 5.793 9.123 1.00 0.00 O ATOM 609 CB ARG A 39 0.875 8.220 11.321 1.00 0.00 C ATOM 610 CG ARG A 39 -0.036 9.410 11.005 1.00 0.00 C ATOM 611 CD ARG A 39 -1.374 9.252 11.716 1.00 0.00 C ATOM 612 NE ARG A 39 -2.161 10.488 11.645 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.496 10.544 11.658 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.230 9.436 11.719 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.104 11.725 11.610 1.00 0.00 N ATOM 0 H ARG A 39 1.481 5.189 11.242 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.766 6.885 10.859 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.028 8.166 12.399 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.852 8.391 10.869 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.443 10.337 11.318 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.194 9.481 9.929 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.935 8.434 11.264 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.205 8.984 12.759 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.652 11.369 11.581 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.775 8.524 11.757 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.248 9.499 11.728 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.552 12.581 11.564 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.123 11.775 11.620 1.00 0.00 H new ATOM 629 N VAL A 40 0.199 7.421 8.466 1.00 0.00 N ATOM 630 CA VAL A 40 0.564 7.397 7.059 1.00 0.00 C ATOM 631 C VAL A 40 0.804 8.830 6.609 1.00 0.00 C ATOM 632 O VAL A 40 -0.134 9.567 6.311 1.00 0.00 O ATOM 633 CB VAL A 40 -0.547 6.727 6.241 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.358 6.925 4.747 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.530 5.221 6.455 1.00 0.00 C ATOM 0 H VAL A 40 -0.540 8.090 8.683 1.00 0.00 H new ATOM 0 HA VAL A 40 1.474 6.817 6.905 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.478 7.185 6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.169 6.433 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.364 7.991 4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.595 6.494 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.325 4.761 5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.433 4.820 6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.686 5.002 7.511 1.00 0.00 H new ATOM 645 N GLY A 41 2.080 9.214 6.570 1.00 0.00 N ATOM 646 CA GLY A 41 2.495 10.537 6.120 1.00 0.00 C ATOM 647 C GLY A 41 2.082 10.813 4.670 1.00 0.00 C ATOM 648 O GLY A 41 1.894 11.971 4.300 1.00 0.00 O ATOM 0 H GLY A 41 2.855 8.613 6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.057 11.294 6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.578 10.626 6.211 1.00 0.00 H new ATOM 652 N ASP A 42 1.937 9.759 3.859 1.00 0.00 N ATOM 653 CA ASP A 42 1.576 9.870 2.454 1.00 0.00 C ATOM 654 C ASP A 42 0.939 8.562 1.992 1.00 0.00 C ATOM 655 O ASP A 42 1.374 7.483 2.389 1.00 0.00 O ATOM 656 CB ASP A 42 2.847 10.097 1.636 1.00 0.00 C ATOM 657 CG ASP A 42 3.354 11.532 1.721 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.609 12.435 1.275 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.485 11.714 2.229 1.00 0.00 O ATOM 0 H ASP A 42 2.070 8.797 4.170 1.00 0.00 H new ATOM 0 HA ASP A 42 0.878 10.697 2.319 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.626 9.420 1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.653 9.846 0.593 1.00 0.00 H new ATOM 664 N VAL A 43 -0.091 8.646 1.149 1.00 0.00 N ATOM 665 CA VAL A 43 -0.717 7.467 0.567 1.00 0.00 C ATOM 666 C VAL A 43 -1.242 7.840 -0.814 1.00 0.00 C ATOM 667 O VAL A 43 -2.135 8.676 -0.945 1.00 0.00 O ATOM 668 CB VAL A 43 -1.792 6.913 1.519 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.224 7.308 1.171 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.713 5.395 1.625 1.00 0.00 C ATOM 0 H VAL A 43 -0.509 9.528 0.855 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.001 6.656 0.436 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.560 7.378 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.909 6.871 1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.317 8.394 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.470 6.942 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.486 5.037 2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.863 4.953 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.733 5.107 2.006 1.00 0.00 H new ATOM 680 N TYR A 44 -0.687 7.223 -1.856 1.00 0.00 N ATOM 681 CA TYR A 44 -1.176 7.474 -3.204 1.00 0.00 C ATOM 682 C TYR A 44 -0.864 6.302 -4.127 1.00 0.00 C ATOM 683 O TYR A 44 -0.077 5.424 -3.775 1.00 0.00 O ATOM 684 CB TYR A 44 -0.576 8.772 -3.750 1.00 0.00 C ATOM 685 CG TYR A 44 0.784 8.626 -4.388 1.00 0.00 C ATOM 686 CD1 TYR A 44 0.872 8.347 -5.758 1.00 0.00 C ATOM 687 CD2 TYR A 44 1.954 8.773 -3.625 1.00 0.00 C ATOM 688 CE1 TYR A 44 2.122 8.237 -6.378 1.00 0.00 C ATOM 689 CE2 TYR A 44 3.209 8.675 -4.240 1.00 0.00 C ATOM 690 CZ TYR A 44 3.299 8.408 -5.622 1.00 0.00 C ATOM 691 OH TYR A 44 4.518 8.318 -6.224 1.00 0.00 O ATOM 0 H TYR A 44 0.085 6.560 -1.793 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.260 7.583 -3.162 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.263 9.191 -4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.503 9.492 -2.935 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.029 8.216 -6.339 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.886 8.962 -2.564 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.184 8.021 -7.434 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.108 8.804 -3.656 1.00 0.00 H new ATOM 0 HH TYR A 44 4.938 7.465 -5.987 1.00 0.00 H new ATOM 701 N ILE A 45 -1.483 6.296 -5.310 1.00 0.00 N ATOM 702 CA ILE A 45 -1.293 5.253 -6.305 1.00 0.00 C ATOM 703 C ILE A 45 -0.801 5.905 -7.603 1.00 0.00 C ATOM 704 O ILE A 45 -1.532 6.686 -8.207 1.00 0.00 O ATOM 705 CB ILE A 45 -2.598 4.473 -6.536 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.913 3.450 -5.441 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.483 3.660 -7.830 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.130 4.076 -4.070 1.00 0.00 C ATOM 0 H ILE A 45 -2.135 7.024 -5.601 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.551 4.537 -5.953 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.383 5.229 -6.559 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.806 2.892 -5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.095 2.732 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.407 3.106 -7.995 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.309 4.334 -8.669 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.651 2.961 -7.748 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.349 3.294 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.230 4.611 -3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.967 4.772 -4.116 1.00 0.00 H new ATOM 720 N PRO A 46 0.427 5.583 -8.039 1.00 0.00 N ATOM 721 CA PRO A 46 0.997 5.988 -9.315 1.00 0.00 C ATOM 722 C PRO A 46 0.322 5.232 -10.463 1.00 0.00 C ATOM 723 O PRO A 46 0.970 4.477 -11.185 1.00 0.00 O ATOM 724 CB PRO A 46 2.490 5.678 -9.205 1.00 0.00 C ATOM 725 CG PRO A 46 2.528 4.500 -8.238 1.00 0.00 C ATOM 726 CD PRO A 46 1.373 4.780 -7.290 1.00 0.00 C ATOM 0 HA PRO A 46 0.841 7.045 -9.531 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.920 5.419 -10.172 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.052 6.531 -8.824 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.399 3.550 -8.757 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.479 4.447 -7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.914 3.852 -6.950 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.717 5.310 -6.402 1.00 0.00 H new ATOM 900 N GLY A 56 -0.483 -1.335 -11.088 1.00 0.00 N ATOM 901 CA GLY A 56 -0.470 -2.544 -10.271 1.00 0.00 C ATOM 902 C GLY A 56 0.295 -2.364 -8.963 1.00 0.00 C ATOM 903 O GLY A 56 0.647 -3.354 -8.327 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.496 -2.839 -10.049 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.021 -3.357 -10.841 1.00 0.00 H new ATOM 907 N PHE A 57 0.562 -1.122 -8.548 1.00 0.00 N ATOM 908 CA PHE A 57 1.280 -0.850 -7.313 1.00 0.00 C ATOM 909 C PHE A 57 0.892 0.510 -6.756 1.00 0.00 C ATOM 910 O PHE A 57 0.444 1.389 -7.491 1.00 0.00 O ATOM 911 CB PHE A 57 2.779 -0.911 -7.571 1.00 0.00 C ATOM 912 CG PHE A 57 3.380 0.263 -8.312 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.190 0.417 -9.693 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.140 1.199 -7.601 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.765 1.510 -10.358 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.720 2.289 -8.265 1.00 0.00 C ATOM 917 CZ PHE A 57 4.520 2.448 -9.644 1.00 0.00 C ATOM 0 H PHE A 57 0.285 -0.285 -9.061 1.00 0.00 H new ATOM 0 HA PHE A 57 1.013 -1.606 -6.574 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.288 -1.007 -6.612 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.992 -1.818 -8.137 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.603 -0.304 -10.243 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.280 1.081 -6.537 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.625 1.628 -11.422 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.318 3.003 -7.717 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.950 3.296 -10.156 1.00 0.00 H new ATOM 927 N ALA A 58 1.071 0.670 -5.441 1.00 0.00 N ATOM 928 CA ALA A 58 0.756 1.895 -4.733 1.00 0.00 C ATOM 929 C ALA A 58 2.051 2.571 -4.320 1.00 0.00 C ATOM 930 O ALA A 58 3.119 2.257 -4.838 1.00 0.00 O ATOM 931 CB ALA A 58 -0.108 1.578 -3.508 1.00 0.00 C ATOM 0 H ALA A 58 1.444 -0.063 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 58 0.194 2.568 -5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.342 2.502 -2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.033 1.099 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.436 0.907 -2.843 1.00 0.00 H new ATOM 937 N PHE A 59 1.941 3.500 -3.378 1.00 0.00 N ATOM 938 CA PHE A 59 3.068 4.216 -2.829 1.00 0.00 C ATOM 939 C PHE A 59 2.622 4.804 -1.515 1.00 0.00 C ATOM 940 O PHE A 59 2.493 6.019 -1.372 1.00 0.00 O ATOM 941 CB PHE A 59 3.523 5.269 -3.841 1.00 0.00 C ATOM 942 CG PHE A 59 5.015 5.455 -3.968 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.831 5.634 -2.839 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.589 5.447 -5.248 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.214 5.815 -2.995 1.00 0.00 C ATOM 946 CE2 PHE A 59 6.968 5.617 -5.403 1.00 0.00 C ATOM 947 CZ PHE A 59 7.782 5.805 -4.277 1.00 0.00 C ATOM 0 H PHE A 59 1.047 3.776 -2.972 1.00 0.00 H new ATOM 0 HA PHE A 59 3.928 3.573 -2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.124 5.001 -4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.078 6.226 -3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.394 5.632 -1.851 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.963 5.309 -6.117 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.841 5.962 -2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.406 5.604 -6.390 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.847 5.942 -4.397 1.00 0.00 H new ATOM 957 N VAL A 60 2.381 3.927 -0.539 1.00 0.00 N ATOM 958 CA VAL A 60 2.188 4.506 0.781 1.00 0.00 C ATOM 959 C VAL A 60 3.576 4.896 1.255 1.00 0.00 C ATOM 960 O VAL A 60 4.518 4.138 1.036 1.00 0.00 O ATOM 961 CB VAL A 60 1.476 3.617 1.799 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.380 2.729 1.207 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.409 2.890 2.762 1.00 0.00 C ATOM 0 H VAL A 60 2.319 2.912 -0.622 1.00 0.00 H new ATOM 0 HA VAL A 60 1.507 5.353 0.698 1.00 0.00 H new ATOM 0 HB VAL A 60 0.937 4.325 2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.072 2.132 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.383 3.354 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.813 2.068 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.821 2.282 3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.086 2.248 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.988 3.620 3.328 1.00 0.00 H new ATOM 973 N ARG A 61 3.708 6.057 1.892 1.00 0.00 N ATOM 974 CA ARG A 61 4.986 6.511 2.406 1.00 0.00 C ATOM 975 C ARG A 61 4.833 7.001 3.816 1.00 0.00 C ATOM 976 O ARG A 61 3.924 7.753 4.159 1.00 0.00 O ATOM 977 CB ARG A 61 5.639 7.521 1.462 1.00 0.00 C ATOM 978 CG ARG A 61 6.571 8.479 2.210 1.00 0.00 C ATOM 979 CD ARG A 61 7.282 9.394 1.212 1.00 0.00 C ATOM 980 NE ARG A 61 8.418 10.086 1.839 1.00 0.00 N ATOM 981 CZ ARG A 61 8.339 11.214 2.552 1.00 0.00 C ATOM 982 NH1 ARG A 61 7.183 11.836 2.756 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.445 11.734 3.077 1.00 0.00 N ATOM 0 H ARG A 61 2.936 6.701 2.063 1.00 0.00 H new ATOM 0 HA ARG A 61 5.679 5.671 2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.203 6.990 0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.865 8.093 0.950 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.000 9.076 2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.304 7.913 2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.634 8.807 0.364 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.577 10.128 0.821 1.00 0.00 H new ATOM 0 HE ARG A 61 9.342 9.671 1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.322 11.454 2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.156 12.695 3.305 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.343 11.272 2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.395 12.594 3.623 1.00 0.00 H new ATOM 997 N PHE A 62 5.777 6.536 4.627 1.00 0.00 N ATOM 998 CA PHE A 62 5.753 6.844 6.047 1.00 0.00 C ATOM 999 C PHE A 62 6.825 7.859 6.367 1.00 0.00 C ATOM 1000 O PHE A 62 7.939 7.755 5.866 1.00 0.00 O ATOM 1001 CB PHE A 62 5.949 5.575 6.866 1.00 0.00 C ATOM 1002 CG PHE A 62 4.685 4.761 7.040 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.766 4.596 5.989 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.433 4.176 8.285 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.580 3.878 6.185 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.267 3.430 8.481 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.345 3.285 7.438 1.00 0.00 C ATOM 0 H PHE A 62 6.558 5.952 4.328 1.00 0.00 H new ATOM 0 HA PHE A 62 4.783 7.268 6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.706 4.956 6.384 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.336 5.844 7.849 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.977 5.027 5.021 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.138 4.300 9.094 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.858 3.781 5.387 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.078 2.965 9.437 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.444 2.712 7.597 1.00 0.00 H new ATOM 1017 N HIS A 63 6.447 8.824 7.205 1.00 0.00 N ATOM 1018 CA HIS A 63 7.273 9.927 7.677 1.00 0.00 C ATOM 1019 C HIS A 63 8.142 9.502 8.860 1.00 0.00 C ATOM 1020 O HIS A 63 8.976 10.276 9.326 1.00 0.00 O ATOM 1021 CB HIS A 63 6.324 11.054 8.111 1.00 0.00 C ATOM 1022 CG HIS A 63 5.279 10.584 9.096 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.470 9.583 10.048 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.995 11.043 9.190 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.301 9.459 10.688 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.399 10.329 10.201 1.00 0.00 N ATOM 0 H HIS A 63 5.504 8.856 7.592 1.00 0.00 H new ATOM 0 HA HIS A 63 7.942 10.255 6.881 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.904 11.861 8.559 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.830 11.467 7.232 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.539 11.815 8.588 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.109 8.757 11.486 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.439 10.440 10.526 1.00 0.00 H new ATOM 1034 N ASP A 64 7.951 8.272 9.344 1.00 0.00 N ATOM 1035 CA ASP A 64 8.644 7.759 10.512 1.00 0.00 C ATOM 1036 C ASP A 64 8.856 6.253 10.353 1.00 0.00 C ATOM 1037 O ASP A 64 7.903 5.477 10.307 1.00 0.00 O ATOM 1038 CB ASP A 64 7.826 8.071 11.769 1.00 0.00 C ATOM 1039 CG ASP A 64 8.595 7.755 13.050 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.486 6.879 13.004 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.287 8.401 14.075 1.00 0.00 O ATOM 0 H ASP A 64 7.303 7.604 8.927 1.00 0.00 H new ATOM 0 HA ASP A 64 9.619 8.237 10.610 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.546 9.124 11.766 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.901 7.495 11.751 1.00 0.00 H new ATOM 1046 N LYS A 65 10.126 5.856 10.270 1.00 0.00 N ATOM 1047 CA LYS A 65 10.526 4.467 10.091 1.00 0.00 C ATOM 1048 C LYS A 65 10.009 3.549 11.194 1.00 0.00 C ATOM 1049 O LYS A 65 9.873 2.352 10.961 1.00 0.00 O ATOM 1050 CB LYS A 65 12.051 4.399 9.999 1.00 0.00 C ATOM 1051 CG LYS A 65 12.711 4.698 11.352 1.00 0.00 C ATOM 1052 CD LYS A 65 14.145 5.198 11.172 1.00 0.00 C ATOM 1053 CE LYS A 65 15.001 4.198 10.393 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.356 4.736 10.162 1.00 0.00 N ATOM 0 H LYS A 65 10.914 6.502 10.326 1.00 0.00 H new ATOM 0 HA LYS A 65 10.075 4.106 9.167 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.352 3.409 9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.404 5.114 9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.127 5.447 11.886 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.712 3.797 11.966 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.134 6.153 10.647 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.593 5.376 12.149 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.066 3.261 10.945 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.527 3.973 9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.920 4.041 9.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.291 5.618 9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.814 4.928 11.076 1.00 0.00 H new ATOM 1068 N ARG A 66 9.721 4.075 12.388 1.00 0.00 N ATOM 1069 CA ARG A 66 9.255 3.248 13.495 1.00 0.00 C ATOM 1070 C ARG A 66 7.831 2.763 13.239 1.00 0.00 C ATOM 1071 O ARG A 66 7.529 1.579 13.409 1.00 0.00 O ATOM 1072 CB ARG A 66 9.307 4.057 14.791 1.00 0.00 C ATOM 1073 CG ARG A 66 10.722 4.551 15.109 1.00 0.00 C ATOM 1074 CD ARG A 66 11.724 3.397 15.149 1.00 0.00 C ATOM 1075 NE ARG A 66 13.049 3.868 15.556 1.00 0.00 N ATOM 1076 CZ ARG A 66 14.185 3.201 15.331 1.00 0.00 C ATOM 1077 NH1 ARG A 66 14.177 2.034 14.688 1.00 0.00 N ATOM 1078 NH2 ARG A 66 15.344 3.697 15.751 1.00 0.00 N ATOM 0 H ARG A 66 9.803 5.067 12.608 1.00 0.00 H new ATOM 0 HA ARG A 66 9.904 2.377 13.584 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.635 4.912 14.711 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.945 3.443 15.615 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.032 5.277 14.358 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.721 5.067 16.069 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.376 2.632 15.844 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.786 2.930 14.166 1.00 0.00 H new ATOM 0 HE ARG A 66 13.109 4.763 16.042 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.296 1.638 14.360 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.052 1.536 14.524 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.368 4.588 16.246 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.210 3.186 15.578 1.00 0.00 H new ATOM 1092 N ASP A 67 6.949 3.675 12.825 1.00 0.00 N ATOM 1093 CA ASP A 67 5.581 3.312 12.490 1.00 0.00 C ATOM 1094 C ASP A 67 5.584 2.424 11.247 1.00 0.00 C ATOM 1095 O ASP A 67 4.682 1.607 11.061 1.00 0.00 O ATOM 1096 CB ASP A 67 4.756 4.578 12.231 1.00 0.00 C ATOM 1097 CG ASP A 67 4.636 5.449 13.482 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.443 4.871 14.575 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.736 6.688 13.330 1.00 0.00 O ATOM 0 H ASP A 67 7.162 4.666 12.716 1.00 0.00 H new ATOM 0 HA ASP A 67 5.134 2.766 13.321 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.219 5.155 11.430 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.760 4.298 11.887 1.00 0.00 H new ATOM 1104 N ALA A 68 6.604 2.594 10.399 1.00 0.00 N ATOM 1105 CA ALA A 68 6.750 1.818 9.188 1.00 0.00 C ATOM 1106 C ALA A 68 7.309 0.427 9.487 1.00 0.00 C ATOM 1107 O ALA A 68 6.982 -0.521 8.782 1.00 0.00 O ATOM 1108 CB ALA A 68 7.706 2.567 8.272 1.00 0.00 C ATOM 0 H ALA A 68 7.347 3.278 10.544 1.00 0.00 H new ATOM 0 HA ALA A 68 5.775 1.688 8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.838 2.006 7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.296 3.551 8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.670 2.681 8.767 1.00 0.00 H new ATOM 1114 N GLU A 69 8.143 0.292 10.523 1.00 0.00 N ATOM 1115 CA GLU A 69 8.714 -0.993 10.900 1.00 0.00 C ATOM 1116 C GLU A 69 7.616 -1.970 11.280 1.00 0.00 C ATOM 1117 O GLU A 69 7.593 -3.090 10.777 1.00 0.00 O ATOM 1118 CB GLU A 69 9.641 -0.828 12.111 1.00 0.00 C ATOM 1119 CG GLU A 69 11.080 -0.550 11.680 1.00 0.00 C ATOM 1120 CD GLU A 69 12.008 -0.506 12.888 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.139 0.590 13.475 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.582 -1.568 13.215 1.00 0.00 O ATOM 0 H GLU A 69 8.436 1.068 11.117 1.00 0.00 H new ATOM 0 HA GLU A 69 9.274 -1.373 10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.283 -0.010 12.736 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.610 -1.732 12.720 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.413 -1.324 10.988 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.127 0.398 11.145 1.00 0.00 H new ATOM 1129 N ASP A 70 6.709 -1.551 12.163 1.00 0.00 N ATOM 1130 CA ASP A 70 5.681 -2.470 12.620 1.00 0.00 C ATOM 1131 C ASP A 70 4.680 -2.758 11.506 1.00 0.00 C ATOM 1132 O ASP A 70 4.285 -3.909 11.314 1.00 0.00 O ATOM 1133 CB ASP A 70 4.969 -1.889 13.841 1.00 0.00 C ATOM 1134 CG ASP A 70 5.935 -1.558 14.974 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.751 -2.443 15.322 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.853 -0.419 15.489 1.00 0.00 O ATOM 0 H ASP A 70 6.668 -0.613 12.562 1.00 0.00 H new ATOM 0 HA ASP A 70 6.154 -3.411 12.901 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.432 -0.986 13.550 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.225 -2.601 14.198 1.00 0.00 H new ATOM 1141 N ALA A 71 4.262 -1.727 10.765 1.00 0.00 N ATOM 1142 CA ALA A 71 3.304 -1.904 9.686 1.00 0.00 C ATOM 1143 C ALA A 71 3.863 -2.863 8.643 1.00 0.00 C ATOM 1144 O ALA A 71 3.170 -3.785 8.226 1.00 0.00 O ATOM 1145 CB ALA A 71 2.991 -0.548 9.061 1.00 0.00 C ATOM 0 H ALA A 71 4.575 -0.765 10.898 1.00 0.00 H new ATOM 0 HA ALA A 71 2.383 -2.332 10.081 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.273 -0.678 8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.569 0.113 9.818 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.907 -0.109 8.666 1.00 0.00 H new ATOM 1151 N MET A 72 5.111 -2.657 8.216 1.00 0.00 N ATOM 1152 CA MET A 72 5.754 -3.505 7.225 1.00 0.00 C ATOM 1153 C MET A 72 5.929 -4.923 7.761 1.00 0.00 C ATOM 1154 O MET A 72 5.733 -5.890 7.024 1.00 0.00 O ATOM 1155 CB MET A 72 7.111 -2.886 6.904 1.00 0.00 C ATOM 1156 CG MET A 72 8.009 -3.816 6.100 1.00 0.00 C ATOM 1157 SD MET A 72 9.423 -2.975 5.339 1.00 0.00 S ATOM 1158 CE MET A 72 9.932 -1.921 6.717 1.00 0.00 C ATOM 0 H MET A 72 5.700 -1.895 8.552 1.00 0.00 H new ATOM 0 HA MET A 72 5.140 -3.570 6.327 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.961 -1.962 6.346 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.612 -2.619 7.834 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.376 -4.608 6.753 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.418 -4.294 5.319 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.959 -1.591 6.563 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.276 -1.052 6.772 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.868 -2.484 7.648 1.00 0.00 H new ATOM 1168 N ASP A 73 6.291 -5.055 9.037 1.00 0.00 N ATOM 1169 CA ASP A 73 6.446 -6.357 9.672 1.00 0.00 C ATOM 1170 C ASP A 73 5.083 -7.006 9.930 1.00 0.00 C ATOM 1171 O ASP A 73 5.014 -8.128 10.433 1.00 0.00 O ATOM 1172 CB ASP A 73 7.246 -6.199 10.968 1.00 0.00 C ATOM 1173 CG ASP A 73 7.613 -7.553 11.573 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.271 -8.343 10.861 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.233 -7.791 12.743 1.00 0.00 O ATOM 0 H ASP A 73 6.483 -4.266 9.654 1.00 0.00 H new ATOM 0 HA ASP A 73 6.994 -7.020 9.002 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.155 -5.631 10.768 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.663 -5.624 11.688 1.00 0.00 H new ATOM 1180 N ALA A 74 3.994 -6.306 9.586 1.00 0.00 N ATOM 1181 CA ALA A 74 2.640 -6.804 9.734 1.00 0.00 C ATOM 1182 C ALA A 74 1.814 -6.651 8.452 1.00 0.00 C ATOM 1183 O ALA A 74 0.609 -6.904 8.479 1.00 0.00 O ATOM 1184 CB ALA A 74 1.989 -6.062 10.900 1.00 0.00 C ATOM 0 H ALA A 74 4.040 -5.366 9.193 1.00 0.00 H new ATOM 0 HA ALA A 74 2.676 -7.875 9.936 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.968 -6.418 11.033 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.559 -6.245 11.811 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.976 -4.993 10.689 1.00 0.00 H new ATOM 1190 N MET A 75 2.437 -6.247 7.333 1.00 0.00 N ATOM 1191 CA MET A 75 1.725 -6.039 6.079 1.00 0.00 C ATOM 1192 C MET A 75 2.465 -6.577 4.850 1.00 0.00 C ATOM 1193 O MET A 75 1.839 -6.757 3.804 1.00 0.00 O ATOM 1194 CB MET A 75 1.473 -4.546 5.868 1.00 0.00 C ATOM 1195 CG MET A 75 0.321 -4.037 6.732 1.00 0.00 C ATOM 1196 SD MET A 75 -1.275 -4.821 6.381 1.00 0.00 S ATOM 1197 CE MET A 75 -1.303 -4.642 4.579 1.00 0.00 C ATOM 0 H MET A 75 3.438 -6.059 7.280 1.00 0.00 H new ATOM 0 HA MET A 75 0.793 -6.597 6.171 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.379 -3.988 6.104 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.249 -4.360 4.818 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.570 -4.199 7.781 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.223 -2.961 6.590 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.296 -4.891 4.204 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.062 -3.613 4.312 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.568 -5.314 4.135 1.00 0.00 H new ATOM 1207 N ASP A 76 3.773 -6.849 4.931 1.00 0.00 N ATOM 1208 CA ASP A 76 4.479 -7.399 3.784 1.00 0.00 C ATOM 1209 C ASP A 76 3.994 -8.821 3.505 1.00 0.00 C ATOM 1210 O ASP A 76 4.129 -9.711 4.340 1.00 0.00 O ATOM 1211 CB ASP A 76 5.988 -7.355 4.011 1.00 0.00 C ATOM 1212 CG ASP A 76 6.737 -7.792 2.756 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.357 -7.319 1.662 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.682 -8.598 2.908 1.00 0.00 O ATOM 0 H ASP A 76 4.347 -6.699 5.761 1.00 0.00 H new ATOM 0 HA ASP A 76 4.263 -6.790 2.906 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.290 -6.344 4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.254 -8.006 4.844 1.00 0.00 H new ATOM 1219 N GLY A 77 3.422 -9.032 2.317 1.00 0.00 N ATOM 1220 CA GLY A 77 2.880 -10.321 1.910 1.00 0.00 C ATOM 1221 C GLY A 77 1.633 -10.685 2.716 1.00 0.00 C ATOM 1222 O GLY A 77 1.343 -11.865 2.917 1.00 0.00 O ATOM 0 H GLY A 77 3.324 -8.305 1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.633 -10.294 0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.638 -11.093 2.042 1.00 0.00 H new ATOM 1226 N ALA A 78 0.895 -9.670 3.171 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.282 -9.852 4.010 1.00 0.00 C ATOM 1228 C ALA A 78 -1.545 -10.086 3.174 1.00 0.00 C ATOM 1229 O ALA A 78 -2.639 -10.155 3.728 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.442 -8.630 4.909 1.00 0.00 C ATOM 0 H ALA A 78 1.103 -8.693 2.964 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.143 -10.743 4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.321 -8.756 5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.443 -8.521 5.535 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.563 -7.739 4.293 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.376 -10.204 1.850 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.441 -10.444 0.879 1.00 0.00 C ATOM 1238 C VAL A 79 -3.775 -9.807 1.289 1.00 0.00 C ATOM 1239 O VAL A 79 -4.722 -10.466 1.706 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.519 -11.937 0.536 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.611 -12.827 1.774 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.629 -12.223 -0.453 1.00 0.00 C ATOM 0 H VAL A 79 -0.457 -10.131 1.414 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.190 -9.928 -0.048 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.576 -12.193 0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.664 -13.872 1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.730 -12.675 2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.505 -12.570 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.654 -13.290 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.584 -11.917 -0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.449 -11.667 -1.373 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.820 -8.479 1.158 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.985 -7.652 1.431 1.00 0.00 C ATOM 1254 C LEU A 80 -6.159 -7.971 0.498 1.00 0.00 C ATOM 1255 O LEU A 80 -7.291 -7.607 0.803 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.499 -6.199 1.329 1.00 0.00 C ATOM 1257 CG LEU A 80 -5.582 -5.131 1.186 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.003 -3.800 1.651 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -5.971 -4.965 -0.281 1.00 0.00 C ATOM 0 H LEU A 80 -3.014 -7.936 0.847 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.390 -7.847 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.910 -5.972 2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.828 -6.122 0.474 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.452 -5.426 1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.760 -3.021 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.693 -3.882 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.141 -3.543 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.743 -4.201 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.096 -4.664 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.351 -5.911 -0.666 1.00 0.00 H new ATOM 1271 N ASP A 81 -5.917 -8.645 -0.634 1.00 0.00 N ATOM 1272 CA ASP A 81 -6.978 -8.970 -1.583 1.00 0.00 C ATOM 1273 C ASP A 81 -6.854 -10.397 -2.119 1.00 0.00 C ATOM 1274 O ASP A 81 -7.839 -11.132 -2.142 1.00 0.00 O ATOM 1275 CB ASP A 81 -6.950 -7.965 -2.740 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.032 -8.289 -3.768 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -9.192 -7.895 -3.519 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -7.683 -8.924 -4.790 1.00 0.00 O ATOM 0 H ASP A 81 -4.992 -8.974 -0.911 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.931 -8.907 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.099 -6.956 -2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.971 -7.982 -3.219 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.652 -10.800 -2.545 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.414 -12.162 -3.010 1.00 0.00 C ATOM 1285 C GLY A 82 -4.260 -12.260 -4.006 1.00 0.00 C ATOM 1286 O GLY A 82 -4.259 -13.143 -4.859 1.00 0.00 O ATOM 0 H GLY A 82 -4.830 -10.197 -2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.202 -12.801 -2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.322 -12.545 -3.476 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.286 -11.353 -3.900 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.123 -11.312 -4.777 1.00 0.00 C ATOM 1292 C ARG A 83 -0.824 -11.118 -3.994 1.00 0.00 C ATOM 1293 O ARG A 83 0.251 -11.399 -4.521 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.320 -10.193 -5.796 1.00 0.00 C ATOM 1295 CG ARG A 83 -2.765 -8.909 -5.094 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.541 -7.732 -6.026 1.00 0.00 C ATOM 1297 NE ARG A 83 -3.163 -7.979 -7.335 1.00 0.00 N ATOM 1298 CZ ARG A 83 -2.496 -8.091 -8.491 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -1.171 -7.973 -8.545 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -3.169 -8.330 -9.615 1.00 0.00 N ATOM 0 H ARG A 83 -3.287 -10.619 -3.192 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.034 -12.269 -5.291 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.390 -10.016 -6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.066 -10.490 -6.533 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.818 -8.976 -4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.202 -8.770 -4.171 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.959 -6.827 -5.584 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.472 -7.560 -6.152 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.178 -8.072 -7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.640 -7.793 -7.693 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.687 -8.063 -9.438 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.184 -8.426 -9.591 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.669 -8.417 -10.500 1.00 0.00 H new ATOM 1314 N GLU A 84 -0.940 -10.641 -2.747 1.00 0.00 N ATOM 1315 CA GLU A 84 0.098 -10.607 -1.721 1.00 0.00 C ATOM 1316 C GLU A 84 0.761 -9.231 -1.679 1.00 0.00 C ATOM 1317 O GLU A 84 1.733 -8.974 -2.386 1.00 0.00 O ATOM 1318 CB GLU A 84 1.099 -11.767 -1.850 1.00 0.00 C ATOM 1319 CG GLU A 84 1.196 -12.511 -0.518 1.00 0.00 C ATOM 1320 CD GLU A 84 2.379 -13.471 -0.515 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.522 -12.975 -0.398 1.00 0.00 O ATOM 1322 OE2 GLU A 84 2.134 -14.695 -0.623 1.00 0.00 O ATOM 0 H GLU A 84 -1.818 -10.245 -2.412 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.379 -10.764 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.780 -12.450 -2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.079 -11.385 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.302 -11.794 0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.274 -13.064 -0.338 1.00 0.00 H new ATOM 1329 N LEU A 85 0.208 -8.352 -0.840 1.00 0.00 N ATOM 1330 CA LEU A 85 0.672 -6.988 -0.622 1.00 0.00 C ATOM 1331 C LEU A 85 2.196 -6.965 -0.457 1.00 0.00 C ATOM 1332 O LEU A 85 2.791 -7.961 -0.052 1.00 0.00 O ATOM 1333 CB LEU A 85 -0.055 -6.481 0.630 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.400 -4.986 0.696 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.830 -4.093 0.763 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.255 -4.557 -0.493 1.00 0.00 C ATOM 0 H LEU A 85 -0.608 -8.584 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 85 0.451 -6.341 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.983 -7.044 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.561 -6.722 1.497 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.962 -4.861 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.520 -3.049 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.409 -4.338 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.443 -4.251 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.480 -3.493 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.711 -4.745 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.185 -5.126 -0.497 1.00 0.00 H new ATOM 1348 N ARG A 86 2.832 -5.837 -0.766 1.00 0.00 N ATOM 1349 CA ARG A 86 4.277 -5.696 -0.666 1.00 0.00 C ATOM 1350 C ARG A 86 4.618 -4.436 0.108 1.00 0.00 C ATOM 1351 O ARG A 86 4.044 -3.375 -0.146 1.00 0.00 O ATOM 1352 CB ARG A 86 4.877 -5.615 -2.068 1.00 0.00 C ATOM 1353 CG ARG A 86 4.682 -6.906 -2.858 1.00 0.00 C ATOM 1354 CD ARG A 86 5.437 -8.060 -2.197 1.00 0.00 C ATOM 1355 NE ARG A 86 5.277 -9.306 -2.955 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.870 -10.461 -2.425 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.555 -10.551 -1.136 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.777 -11.545 -3.190 1.00 0.00 N ATOM 0 H ARG A 86 2.356 -4.996 -1.093 1.00 0.00 H new ATOM 0 HA ARG A 86 4.689 -6.559 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.418 -4.788 -2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.942 -5.395 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.620 -7.146 -2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.036 -6.771 -3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.495 -7.810 -2.124 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.071 -8.201 -1.180 1.00 0.00 H new ATOM 0 HE ARG A 86 5.491 -9.288 -3.952 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.623 -9.729 -0.536 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.246 -11.442 -0.748 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.017 -11.493 -4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.466 -12.429 -2.787 1.00 0.00 H new ATOM 1372 N VAL A 87 5.550 -4.553 1.053 1.00 0.00 N ATOM 1373 CA VAL A 87 5.962 -3.422 1.867 1.00 0.00 C ATOM 1374 C VAL A 87 7.472 -3.415 2.044 1.00 0.00 C ATOM 1375 O VAL A 87 8.083 -4.453 2.297 1.00 0.00 O ATOM 1376 CB VAL A 87 5.272 -3.483 3.234 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.487 -2.155 3.954 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.779 -3.789 3.102 1.00 0.00 C ATOM 0 H VAL A 87 6.032 -5.425 1.270 1.00 0.00 H new ATOM 0 HA VAL A 87 5.669 -2.503 1.360 1.00 0.00 H new ATOM 0 HB VAL A 87 5.712 -4.295 3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.000 -2.187 4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.555 -1.982 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.060 -1.346 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.326 -3.824 4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.299 -3.010 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.647 -4.752 2.609 1.00 0.00 H new ATOM 1388 N GLN A 88 8.061 -2.229 1.904 1.00 0.00 N ATOM 1389 CA GLN A 88 9.501 -2.038 1.958 1.00 0.00 C ATOM 1390 C GLN A 88 9.822 -0.550 2.069 1.00 0.00 C ATOM 1391 O GLN A 88 9.073 0.292 1.592 1.00 0.00 O ATOM 1392 CB GLN A 88 10.131 -2.613 0.684 1.00 0.00 C ATOM 1393 CG GLN A 88 9.424 -2.108 -0.581 1.00 0.00 C ATOM 1394 CD GLN A 88 10.124 -2.584 -1.846 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.332 -2.809 -1.859 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.367 -2.750 -2.928 1.00 0.00 N ATOM 0 H GLN A 88 7.541 -1.365 1.748 1.00 0.00 H new ATOM 0 HA GLN A 88 9.906 -2.552 2.830 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.185 -2.339 0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.085 -3.702 0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.391 -2.456 -0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.393 -1.018 -0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.367 -2.555 -2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.787 -3.072 -3.800 1.00 0.00 H new ATOM 1405 N MET A 89 10.947 -0.227 2.701 1.00 0.00 N ATOM 1406 CA MET A 89 11.438 1.136 2.785 1.00 0.00 C ATOM 1407 C MET A 89 11.543 1.750 1.392 1.00 0.00 C ATOM 1408 O MET A 89 11.978 1.094 0.446 1.00 0.00 O ATOM 1409 CB MET A 89 12.780 1.119 3.507 1.00 0.00 C ATOM 1410 CG MET A 89 12.508 0.795 4.972 1.00 0.00 C ATOM 1411 SD MET A 89 11.901 2.222 5.904 1.00 0.00 S ATOM 1412 CE MET A 89 11.186 1.361 7.321 1.00 0.00 C ATOM 0 H MET A 89 11.543 -0.910 3.170 1.00 0.00 H new ATOM 0 HA MET A 89 10.744 1.759 3.350 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.443 0.374 3.066 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.278 2.084 3.414 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.776 -0.010 5.031 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.424 0.428 5.434 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.311 1.969 8.217 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.124 1.189 7.144 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.691 0.405 7.458 1.00 0.00 H new ATOM 1422 N ALA A 90 11.140 3.018 1.273 1.00 0.00 N ATOM 1423 CA ALA A 90 11.147 3.744 0.013 1.00 0.00 C ATOM 1424 C ALA A 90 12.558 4.193 -0.375 1.00 0.00 C ATOM 1425 O ALA A 90 12.736 4.834 -1.407 1.00 0.00 O ATOM 1426 CB ALA A 90 10.213 4.945 0.122 1.00 0.00 C ATOM 0 H ALA A 90 10.798 3.569 2.060 1.00 0.00 H new ATOM 0 HA ALA A 90 10.797 3.076 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.214 5.493 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.202 4.601 0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.555 5.600 0.924 1.00 0.00 H new