USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 460 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 Single : A 21 TYR OH : rot -34:sc= 0.201 USER MOD Single : A 25 LYS NZ :NH3+ 141:sc= -2.88! (180deg=-5.67!) USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.0551 (180deg=-0.26) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 120:sc= -0.434 USER MOD Single : A 41 LYS NZ :NH3+ -124:sc= -1.18 (180deg=-4.29!) USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= -0.0362 (180deg=-1.58!) USER MOD Single : A 46 SER OG : rot -51:sc= 0.679 USER MOD Single : A 50 ASN : amide:sc= -6.68! C(o=-6.7!,f=-6.9!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.31! C(o=-3.3!,f=-6.3!) USER MOD Single : A 60 CYS SG : rot 11:sc= -0.821 USER MOD Single : A 69 GLN : amide:sc= -1.14! K(o=-1.1!,f=-0.00027) USER MOD Single : A 70 SER OG : rot 93:sc= 1.27 USER MOD Single : A 71 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.014) USER MOD Single : B 5 GLN : amide:sc= -3.61! C(o=-3.6!,f=-3.7!) USER MOD Single : B 6 THR OG1 : rot 1:sc= 0.528 USER MOD ----------------------------------------------------------------- ATOM 179 N GLU A 19 -10.592 -6.302 2.490 1.00 0.00 N ATOM 180 CA GLU A 19 -9.964 -7.511 1.965 1.00 0.00 C ATOM 181 C GLU A 19 -8.452 -7.334 1.831 1.00 0.00 C ATOM 182 O GLU A 19 -7.977 -6.300 1.363 1.00 0.00 O ATOM 183 CB GLU A 19 -10.574 -7.879 0.610 1.00 0.00 C ATOM 184 CG GLU A 19 -12.069 -8.151 0.671 1.00 0.00 C ATOM 185 CD GLU A 19 -12.652 -8.522 -0.679 1.00 0.00 C ATOM 186 OE1 GLU A 19 -12.561 -7.697 -1.612 1.00 0.00 O ATOM 187 OE2 GLU A 19 -13.200 -9.638 -0.803 1.00 0.00 O ATOM 0 HA GLU A 19 -10.149 -8.321 2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.389 -7.069 -0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.068 -8.762 0.220 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.259 -8.958 1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.580 -7.267 1.052 1.00 0.00 H new ATOM 194 N GLU A 20 -7.705 -8.351 2.254 1.00 0.00 N ATOM 195 CA GLU A 20 -6.245 -8.317 2.192 1.00 0.00 C ATOM 196 C GLU A 20 -5.727 -8.623 0.787 1.00 0.00 C ATOM 197 O GLU A 20 -5.233 -9.721 0.523 1.00 0.00 O ATOM 198 CB GLU A 20 -5.647 -9.304 3.196 1.00 0.00 C ATOM 199 CG GLU A 20 -6.209 -10.712 3.082 1.00 0.00 C ATOM 200 CD GLU A 20 -5.582 -11.672 4.073 1.00 0.00 C ATOM 201 OE1 GLU A 20 -5.696 -11.424 5.292 1.00 0.00 O ATOM 202 OE2 GLU A 20 -4.974 -12.668 3.631 1.00 0.00 O ATOM 0 H GLU A 20 -8.088 -9.212 2.645 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.932 -7.305 2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.567 -9.342 3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.824 -8.933 4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.287 -10.683 3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.047 -11.083 2.070 1.00 0.00 H new ATOM 209 N TYR A 21 -5.825 -7.648 -0.112 1.00 0.00 N ATOM 210 CA TYR A 21 -5.346 -7.828 -1.480 1.00 0.00 C ATOM 211 C TYR A 21 -3.845 -8.113 -1.490 1.00 0.00 C ATOM 212 O TYR A 21 -3.071 -7.425 -0.825 1.00 0.00 O ATOM 213 CB TYR A 21 -5.645 -6.589 -2.328 1.00 0.00 C ATOM 214 CG TYR A 21 -7.100 -6.439 -2.716 1.00 0.00 C ATOM 215 CD1 TYR A 21 -8.102 -6.396 -1.754 1.00 0.00 C ATOM 216 CD2 TYR A 21 -7.470 -6.342 -4.051 1.00 0.00 C ATOM 217 CE1 TYR A 21 -9.429 -6.260 -2.113 1.00 0.00 C ATOM 218 CE2 TYR A 21 -8.796 -6.206 -4.418 1.00 0.00 C ATOM 219 CZ TYR A 21 -9.770 -6.165 -3.444 1.00 0.00 C ATOM 220 OH TYR A 21 -11.092 -6.029 -3.805 1.00 0.00 O ATOM 0 H TYR A 21 -6.229 -6.731 0.079 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.871 -8.681 -1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.334 -5.702 -1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.041 -6.629 -3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.839 -6.470 -0.709 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.708 -6.373 -4.816 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.196 -6.228 -1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.067 -6.132 -5.461 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.655 -6.529 -3.178 1.00 0.00 H new ATOM 230 N VAL A 22 -3.443 -9.132 -2.246 1.00 0.00 N ATOM 231 CA VAL A 22 -2.034 -9.507 -2.340 1.00 0.00 C ATOM 232 C VAL A 22 -1.192 -8.355 -2.880 1.00 0.00 C ATOM 233 O VAL A 22 -1.588 -7.673 -3.826 1.00 0.00 O ATOM 234 CB VAL A 22 -1.836 -10.740 -3.247 1.00 0.00 C ATOM 235 CG1 VAL A 22 -0.357 -11.075 -3.380 1.00 0.00 C ATOM 236 CG2 VAL A 22 -2.607 -11.935 -2.706 1.00 0.00 C ATOM 0 H VAL A 22 -4.072 -9.712 -2.802 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.707 -9.752 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.225 -10.501 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.238 -11.947 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.170 -10.227 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.057 -11.291 -2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.454 -12.793 -3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.251 -12.174 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.669 -11.695 -2.666 1.00 0.00 H new ATOM 246 N VAL A 23 -0.025 -8.149 -2.274 1.00 0.00 N ATOM 247 CA VAL A 23 0.877 -7.083 -2.695 1.00 0.00 C ATOM 248 C VAL A 23 2.265 -7.634 -3.003 1.00 0.00 C ATOM 249 O VAL A 23 2.876 -8.303 -2.169 1.00 0.00 O ATOM 250 CB VAL A 23 1.001 -5.992 -1.615 1.00 0.00 C ATOM 251 CG1 VAL A 23 1.887 -4.854 -2.098 1.00 0.00 C ATOM 252 CG2 VAL A 23 -0.373 -5.479 -1.217 1.00 0.00 C ATOM 0 H VAL A 23 0.317 -8.706 -1.491 1.00 0.00 H new ATOM 0 HA VAL A 23 0.451 -6.644 -3.597 1.00 0.00 H new ATOM 0 HB VAL A 23 1.469 -6.431 -0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.961 -4.095 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.881 -5.238 -2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.455 -4.412 -2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.267 -4.709 -0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.871 -5.058 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.968 -6.302 -0.822 1.00 0.00 H new ATOM 262 N GLU A 24 2.757 -7.348 -4.203 1.00 0.00 N ATOM 263 CA GLU A 24 4.073 -7.813 -4.619 1.00 0.00 C ATOM 264 C GLU A 24 5.176 -6.980 -3.975 1.00 0.00 C ATOM 265 O GLU A 24 6.158 -7.523 -3.468 1.00 0.00 O ATOM 266 CB GLU A 24 4.199 -7.762 -6.143 1.00 0.00 C ATOM 267 CG GLU A 24 5.537 -8.268 -6.663 1.00 0.00 C ATOM 268 CD GLU A 24 5.621 -8.243 -8.176 1.00 0.00 C ATOM 269 OE1 GLU A 24 4.797 -8.919 -8.827 1.00 0.00 O ATOM 270 OE2 GLU A 24 6.511 -7.548 -8.711 1.00 0.00 O ATOM 0 H GLU A 24 2.263 -6.796 -4.905 1.00 0.00 H new ATOM 0 HA GLU A 24 4.185 -8.845 -4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.399 -8.356 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.055 -6.734 -6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.339 -7.657 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.698 -9.287 -6.311 1.00 0.00 H new ATOM 277 N LYS A 25 5.011 -5.658 -4.004 1.00 0.00 N ATOM 278 CA LYS A 25 6.001 -4.753 -3.426 1.00 0.00 C ATOM 279 C LYS A 25 5.512 -3.310 -3.465 1.00 0.00 C ATOM 280 O LYS A 25 4.903 -2.880 -4.444 1.00 0.00 O ATOM 281 CB LYS A 25 7.320 -4.857 -4.193 1.00 0.00 C ATOM 282 CG LYS A 25 8.428 -3.985 -3.622 1.00 0.00 C ATOM 283 CD LYS A 25 9.666 -3.973 -4.513 1.00 0.00 C ATOM 284 CE LYS A 25 10.367 -5.326 -4.544 1.00 0.00 C ATOM 285 NZ LYS A 25 9.551 -6.372 -5.222 1.00 0.00 N ATOM 0 H LYS A 25 4.204 -5.192 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 25 6.154 -5.045 -2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.650 -5.896 -4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.149 -4.578 -5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.060 -2.966 -3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.699 -4.347 -2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.379 -3.691 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.361 -3.214 -4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.323 -5.225 -5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.585 -5.643 -3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.172 -6.980 -5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.064 -6.949 -4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.847 -5.918 -5.839 1.00 0.00 H new ATOM 299 N VAL A 26 5.788 -2.558 -2.401 1.00 0.00 N ATOM 300 CA VAL A 26 5.376 -1.162 -2.345 1.00 0.00 C ATOM 301 C VAL A 26 6.167 -0.352 -3.374 1.00 0.00 C ATOM 302 O VAL A 26 7.391 -0.461 -3.455 1.00 0.00 O ATOM 303 CB VAL A 26 5.547 -0.560 -0.923 1.00 0.00 C ATOM 304 CG1 VAL A 26 5.310 -1.614 0.147 1.00 0.00 C ATOM 305 CG2 VAL A 26 6.900 0.085 -0.741 1.00 0.00 C ATOM 0 H VAL A 26 6.289 -2.889 -1.577 1.00 0.00 H new ATOM 0 HA VAL A 26 4.314 -1.114 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 26 4.794 0.221 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.436 -1.166 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.297 -2.006 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.027 -2.426 0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.976 0.493 0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.681 -0.660 -0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.021 0.889 -1.467 1.00 0.00 H new ATOM 315 N LEU A 27 5.463 0.431 -4.183 1.00 0.00 N ATOM 316 CA LEU A 27 6.111 1.223 -5.222 1.00 0.00 C ATOM 317 C LEU A 27 6.777 2.474 -4.660 1.00 0.00 C ATOM 318 O LEU A 27 7.946 2.735 -4.948 1.00 0.00 O ATOM 319 CB LEU A 27 5.106 1.602 -6.311 1.00 0.00 C ATOM 320 CG LEU A 27 4.468 0.419 -7.046 1.00 0.00 C ATOM 321 CD1 LEU A 27 3.469 0.908 -8.082 1.00 0.00 C ATOM 322 CD2 LEU A 27 5.537 -0.443 -7.702 1.00 0.00 C ATOM 0 H LEU A 27 4.449 0.534 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 27 6.895 0.603 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.314 2.200 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.608 2.236 -7.042 1.00 0.00 H new ATOM 0 HG LEU A 27 3.935 -0.190 -6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.027 0.053 -8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.684 1.481 -7.588 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.979 1.541 -8.808 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.064 -1.278 -8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.099 0.156 -8.419 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.215 -0.826 -6.939 1.00 0.00 H new ATOM 334 N ASP A 28 6.045 3.258 -3.872 1.00 0.00 N ATOM 335 CA ASP A 28 6.618 4.482 -3.311 1.00 0.00 C ATOM 336 C ASP A 28 6.006 4.832 -1.947 1.00 0.00 C ATOM 337 O ASP A 28 5.582 3.948 -1.202 1.00 0.00 O ATOM 338 CB ASP A 28 6.424 5.635 -4.303 1.00 0.00 C ATOM 339 CG ASP A 28 7.373 6.794 -4.056 1.00 0.00 C ATOM 340 OD1 ASP A 28 8.212 6.691 -3.135 1.00 0.00 O ATOM 341 OD2 ASP A 28 7.281 7.801 -4.787 1.00 0.00 O ATOM 0 H ASP A 28 5.076 3.076 -3.611 1.00 0.00 H new ATOM 0 HA ASP A 28 7.683 4.315 -3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.569 5.263 -5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.397 5.993 -4.239 1.00 0.00 H new ATOM 346 N ARG A 29 5.982 6.128 -1.621 1.00 0.00 N ATOM 347 CA ARG A 29 5.445 6.602 -0.347 1.00 0.00 C ATOM 348 C ARG A 29 5.175 8.105 -0.389 1.00 0.00 C ATOM 349 O ARG A 29 6.013 8.882 -0.848 1.00 0.00 O ATOM 350 CB ARG A 29 6.433 6.308 0.785 1.00 0.00 C ATOM 351 CG ARG A 29 6.041 6.947 2.110 1.00 0.00 C ATOM 352 CD ARG A 29 7.197 6.948 3.097 1.00 0.00 C ATOM 353 NE ARG A 29 8.332 7.729 2.612 1.00 0.00 N ATOM 354 CZ ARG A 29 9.438 7.943 3.319 1.00 0.00 C ATOM 355 NH1 ARG A 29 9.557 7.444 4.542 1.00 0.00 N ATOM 356 NH2 ARG A 29 10.428 8.660 2.804 1.00 0.00 N ATOM 0 H ARG A 29 6.331 6.870 -2.228 1.00 0.00 H new ATOM 0 HA ARG A 29 4.507 6.077 -0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.510 5.229 0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.422 6.665 0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.710 7.971 1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.197 6.407 2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.859 7.354 4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.516 5.922 3.282 1.00 0.00 H new ATOM 0 HE ARG A 29 8.273 8.133 1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.798 6.893 4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.407 7.611 5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.342 9.048 1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.276 8.823 3.347 1.00 0.00 H new ATOM 370 N ARG A 30 4.011 8.510 0.110 1.00 0.00 N ATOM 371 CA ARG A 30 3.644 9.925 0.147 1.00 0.00 C ATOM 372 C ARG A 30 2.610 10.186 1.237 1.00 0.00 C ATOM 373 O ARG A 30 1.769 9.336 1.516 1.00 0.00 O ATOM 374 CB ARG A 30 3.096 10.388 -1.207 1.00 0.00 C ATOM 375 CG ARG A 30 1.700 9.874 -1.513 1.00 0.00 C ATOM 376 CD ARG A 30 1.201 10.382 -2.856 1.00 0.00 C ATOM 377 NE ARG A 30 1.126 11.839 -2.895 1.00 0.00 N ATOM 378 CZ ARG A 30 0.716 12.529 -3.956 1.00 0.00 C ATOM 379 NH1 ARG A 30 0.345 11.895 -5.060 1.00 0.00 N ATOM 380 NH2 ARG A 30 0.676 13.854 -3.913 1.00 0.00 N ATOM 0 H ARG A 30 3.306 7.881 0.494 1.00 0.00 H new ATOM 0 HA ARG A 30 4.547 10.494 0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.085 11.478 -1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.774 10.059 -1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.705 8.784 -1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.015 10.189 -0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.865 10.032 -3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.216 9.963 -3.059 1.00 0.00 H new ATOM 0 HE ARG A 30 1.404 12.358 -2.062 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.374 10.876 -5.097 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.031 12.426 -5.872 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.960 14.346 -3.066 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.361 14.381 -4.727 1.00 0.00 H new ATOM 394 N VAL A 31 2.668 11.369 1.839 1.00 0.00 N ATOM 395 CA VAL A 31 1.720 11.736 2.887 1.00 0.00 C ATOM 396 C VAL A 31 1.220 13.162 2.683 1.00 0.00 C ATOM 397 O VAL A 31 1.978 14.044 2.280 1.00 0.00 O ATOM 398 CB VAL A 31 2.336 11.607 4.294 1.00 0.00 C ATOM 399 CG1 VAL A 31 3.545 12.510 4.437 1.00 0.00 C ATOM 400 CG2 VAL A 31 1.299 11.923 5.360 1.00 0.00 C ATOM 0 H VAL A 31 3.358 12.088 1.621 1.00 0.00 H new ATOM 0 HA VAL A 31 0.884 11.040 2.816 1.00 0.00 H new ATOM 0 HB VAL A 31 2.666 10.577 4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.963 12.402 5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.296 12.232 3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.246 13.546 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.751 11.827 6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.937 12.942 5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.465 11.227 5.274 1.00 0.00 H new ATOM 410 N VAL A 32 -0.064 13.376 2.947 1.00 0.00 N ATOM 411 CA VAL A 32 -0.665 14.690 2.774 1.00 0.00 C ATOM 412 C VAL A 32 -1.230 15.226 4.090 1.00 0.00 C ATOM 413 O VAL A 32 -1.208 16.433 4.337 1.00 0.00 O ATOM 414 CB VAL A 32 -1.780 14.654 1.709 1.00 0.00 C ATOM 415 CG1 VAL A 32 -1.252 14.061 0.410 1.00 0.00 C ATOM 416 CG2 VAL A 32 -2.982 13.867 2.207 1.00 0.00 C ATOM 0 H VAL A 32 -0.706 12.657 3.281 1.00 0.00 H new ATOM 0 HA VAL A 32 0.126 15.360 2.438 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.103 15.677 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.050 14.042 -0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.427 14.671 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.900 13.045 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.754 13.857 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.680 12.844 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.375 14.335 3.109 1.00 0.00 H new ATOM 426 N LYS A 33 -1.740 14.325 4.926 1.00 0.00 N ATOM 427 CA LYS A 33 -2.316 14.710 6.212 1.00 0.00 C ATOM 428 C LYS A 33 -2.041 13.640 7.265 1.00 0.00 C ATOM 429 O LYS A 33 -2.960 13.169 7.936 1.00 0.00 O ATOM 430 CB LYS A 33 -3.829 14.914 6.078 1.00 0.00 C ATOM 431 CG LYS A 33 -4.230 15.823 4.929 1.00 0.00 C ATOM 432 CD LYS A 33 -5.733 16.046 4.894 1.00 0.00 C ATOM 433 CE LYS A 33 -6.133 16.960 3.748 1.00 0.00 C ATOM 434 NZ LYS A 33 -5.728 16.405 2.427 1.00 0.00 N ATOM 0 H LYS A 33 -1.766 13.323 4.736 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.852 15.645 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.306 13.943 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.213 15.331 7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.721 16.782 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.904 15.384 3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.242 15.088 4.791 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.060 16.481 5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.213 17.110 3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.673 17.939 3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.203 16.934 1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.697 16.490 2.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.000 15.403 2.373 1.00 0.00 H new ATOM 448 N GLY A 34 -0.776 13.245 7.395 1.00 0.00 N ATOM 449 CA GLY A 34 -0.421 12.215 8.357 1.00 0.00 C ATOM 450 C GLY A 34 -0.883 10.844 7.902 1.00 0.00 C ATOM 451 O GLY A 34 -0.542 9.826 8.502 1.00 0.00 O ATOM 0 H GLY A 34 0.005 13.617 6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.660 12.207 8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.869 12.449 9.323 1.00 0.00 H new ATOM 455 N LYS A 35 -1.663 10.835 6.826 1.00 0.00 N ATOM 456 CA LYS A 35 -2.194 9.608 6.251 1.00 0.00 C ATOM 457 C LYS A 35 -1.229 9.032 5.222 1.00 0.00 C ATOM 458 O LYS A 35 -1.636 8.617 4.138 1.00 0.00 O ATOM 459 CB LYS A 35 -3.529 9.902 5.587 1.00 0.00 C ATOM 460 CG LYS A 35 -3.488 11.146 4.721 1.00 0.00 C ATOM 461 CD LYS A 35 -4.306 10.974 3.458 1.00 0.00 C ATOM 462 CE LYS A 35 -5.774 10.716 3.763 1.00 0.00 C ATOM 463 NZ LYS A 35 -6.585 10.568 2.523 1.00 0.00 N ATOM 0 H LYS A 35 -1.944 11.680 6.329 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.327 8.876 7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.823 9.048 4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.293 10.023 6.354 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.867 11.997 5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.455 11.373 4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.215 11.869 2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.905 10.144 2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.865 9.812 4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.170 11.538 4.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.578 10.394 2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.519 11.439 1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.224 9.767 1.966 1.00 0.00 H new ATOM 477 N VAL A 36 0.048 9.035 5.577 1.00 0.00 N ATOM 478 CA VAL A 36 1.113 8.538 4.708 1.00 0.00 C ATOM 479 C VAL A 36 0.676 7.320 3.889 1.00 0.00 C ATOM 480 O VAL A 36 0.730 6.181 4.354 1.00 0.00 O ATOM 481 CB VAL A 36 2.376 8.188 5.527 1.00 0.00 C ATOM 482 CG1 VAL A 36 2.061 7.172 6.616 1.00 0.00 C ATOM 483 CG2 VAL A 36 3.483 7.683 4.616 1.00 0.00 C ATOM 0 H VAL A 36 0.379 9.382 6.477 1.00 0.00 H new ATOM 0 HA VAL A 36 1.345 9.343 4.011 1.00 0.00 H new ATOM 0 HB VAL A 36 2.724 9.099 6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.969 6.945 7.176 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.311 7.584 7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.677 6.259 6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.363 7.442 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.144 6.789 4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.737 8.455 3.890 1.00 0.00 H new ATOM 493 N GLU A 37 0.243 7.578 2.658 1.00 0.00 N ATOM 494 CA GLU A 37 -0.198 6.519 1.760 1.00 0.00 C ATOM 495 C GLU A 37 0.977 5.980 0.948 1.00 0.00 C ATOM 496 O GLU A 37 1.695 6.738 0.298 1.00 0.00 O ATOM 497 CB GLU A 37 -1.295 7.053 0.835 1.00 0.00 C ATOM 498 CG GLU A 37 -0.870 8.268 0.029 1.00 0.00 C ATOM 499 CD GLU A 37 -2.036 8.947 -0.668 1.00 0.00 C ATOM 500 OE1 GLU A 37 -2.718 8.282 -1.474 1.00 0.00 O ATOM 501 OE2 GLU A 37 -2.267 10.147 -0.405 1.00 0.00 O ATOM 0 H GLU A 37 0.189 8.516 2.260 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.603 5.697 2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.599 6.261 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.169 7.311 1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.380 8.984 0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.133 7.965 -0.715 1.00 0.00 H new ATOM 508 N TYR A 38 1.164 4.666 0.991 1.00 0.00 N ATOM 509 CA TYR A 38 2.251 4.019 0.262 1.00 0.00 C ATOM 510 C TYR A 38 1.779 3.462 -1.069 1.00 0.00 C ATOM 511 O TYR A 38 0.755 2.782 -1.139 1.00 0.00 O ATOM 512 CB TYR A 38 2.861 2.884 1.084 1.00 0.00 C ATOM 513 CG TYR A 38 3.863 3.340 2.115 1.00 0.00 C ATOM 514 CD1 TYR A 38 3.478 4.117 3.199 1.00 0.00 C ATOM 515 CD2 TYR A 38 5.201 2.985 2.003 1.00 0.00 C ATOM 516 CE1 TYR A 38 4.399 4.526 4.141 1.00 0.00 C ATOM 517 CE2 TYR A 38 6.127 3.388 2.943 1.00 0.00 C ATOM 518 CZ TYR A 38 5.721 4.159 4.011 1.00 0.00 C ATOM 519 OH TYR A 38 6.641 4.563 4.951 1.00 0.00 O ATOM 0 H TYR A 38 0.576 4.025 1.524 1.00 0.00 H new ATOM 0 HA TYR A 38 3.005 4.784 0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.060 2.342 1.587 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.346 2.180 0.408 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.443 4.405 3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.522 2.383 1.166 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.085 5.132 4.978 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.163 3.101 2.843 1.00 0.00 H new ATOM 0 HH TYR A 38 7.050 3.776 5.368 1.00 0.00 H new ATOM 529 N LEU A 39 2.549 3.722 -2.118 1.00 0.00 N ATOM 530 CA LEU A 39 2.217 3.207 -3.433 1.00 0.00 C ATOM 531 C LEU A 39 2.356 1.690 -3.404 1.00 0.00 C ATOM 532 O LEU A 39 3.278 1.168 -2.777 1.00 0.00 O ATOM 533 CB LEU A 39 3.136 3.806 -4.502 1.00 0.00 C ATOM 534 CG LEU A 39 2.438 4.215 -5.799 1.00 0.00 C ATOM 535 CD1 LEU A 39 3.443 4.486 -6.904 1.00 0.00 C ATOM 536 CD2 LEU A 39 1.444 3.163 -6.224 1.00 0.00 C ATOM 0 H LEU A 39 3.401 4.282 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 39 1.194 3.485 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.633 4.681 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.914 3.080 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 39 1.896 5.142 -5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.915 4.775 -7.813 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.110 5.293 -6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.027 3.585 -7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.958 3.474 -7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.962 2.218 -6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.693 3.036 -5.445 1.00 0.00 H new ATOM 548 N LEU A 40 1.440 0.979 -4.050 1.00 0.00 N ATOM 549 CA LEU A 40 1.488 -0.480 -4.044 1.00 0.00 C ATOM 550 C LEU A 40 1.058 -1.073 -5.378 1.00 0.00 C ATOM 551 O LEU A 40 0.000 -0.734 -5.908 1.00 0.00 O ATOM 552 CB LEU A 40 0.593 -1.022 -2.925 1.00 0.00 C ATOM 553 CG LEU A 40 1.009 -0.609 -1.513 1.00 0.00 C ATOM 554 CD1 LEU A 40 -0.002 -1.074 -0.487 1.00 0.00 C ATOM 555 CD2 LEU A 40 2.367 -1.177 -1.178 1.00 0.00 C ATOM 0 H LEU A 40 0.665 1.380 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 40 2.523 -0.775 -3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.428 -0.685 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.583 -2.110 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 40 1.055 0.480 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.321 -0.766 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.973 -0.631 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.082 -2.160 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.649 -0.874 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.330 -2.265 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.104 -0.802 -1.889 1.00 0.00 H new ATOM 567 N LYS A 41 1.879 -1.978 -5.906 1.00 0.00 N ATOM 568 CA LYS A 41 1.573 -2.638 -7.166 1.00 0.00 C ATOM 569 C LYS A 41 0.683 -3.847 -6.901 1.00 0.00 C ATOM 570 O LYS A 41 1.123 -4.836 -6.314 1.00 0.00 O ATOM 571 CB LYS A 41 2.866 -3.058 -7.876 1.00 0.00 C ATOM 572 CG LYS A 41 2.676 -3.469 -9.333 1.00 0.00 C ATOM 573 CD LYS A 41 2.029 -4.841 -9.471 1.00 0.00 C ATOM 574 CE LYS A 41 2.913 -5.935 -8.894 1.00 0.00 C ATOM 575 NZ LYS A 41 4.243 -5.983 -9.562 1.00 0.00 N ATOM 0 H LYS A 41 2.759 -2.268 -5.479 1.00 0.00 H new ATOM 0 HA LYS A 41 1.042 -1.945 -7.818 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.575 -2.232 -7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.312 -3.890 -7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.059 -2.727 -9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.644 -3.475 -9.835 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.066 -4.843 -8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.833 -5.048 -10.523 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.049 -5.766 -7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.416 -6.899 -9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.407 -6.937 -9.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.266 -5.293 -10.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.986 -5.752 -8.872 1.00 0.00 H new ATOM 589 N TRP A 42 -0.576 -3.754 -7.317 1.00 0.00 N ATOM 590 CA TRP A 42 -1.530 -4.836 -7.100 1.00 0.00 C ATOM 591 C TRP A 42 -1.560 -5.797 -8.285 1.00 0.00 C ATOM 592 O TRP A 42 -1.490 -5.378 -9.441 1.00 0.00 O ATOM 593 CB TRP A 42 -2.926 -4.266 -6.843 1.00 0.00 C ATOM 594 CG TRP A 42 -2.911 -3.075 -5.931 1.00 0.00 C ATOM 595 CD1 TRP A 42 -2.793 -1.767 -6.301 1.00 0.00 C ATOM 596 CD2 TRP A 42 -2.984 -3.083 -4.500 1.00 0.00 C ATOM 597 NE1 TRP A 42 -2.803 -0.959 -5.190 1.00 0.00 N ATOM 598 CE2 TRP A 42 -2.917 -1.743 -4.073 1.00 0.00 C ATOM 599 CE3 TRP A 42 -3.105 -4.090 -3.538 1.00 0.00 C ATOM 600 CZ2 TRP A 42 -2.966 -1.386 -2.729 1.00 0.00 C ATOM 601 CZ3 TRP A 42 -3.152 -3.733 -2.202 1.00 0.00 C ATOM 602 CH2 TRP A 42 -3.082 -2.390 -1.809 1.00 0.00 C ATOM 0 H TRP A 42 -0.958 -2.944 -7.804 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.208 -5.397 -6.223 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.378 -3.984 -7.794 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.556 -5.042 -6.408 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.705 -1.418 -7.319 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.736 0.059 -5.196 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.161 -5.128 -3.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.914 -0.351 -2.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.244 -4.502 -1.450 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.120 -2.143 -0.758 1.00 0.00 H new ATOM 613 N LYS A 43 -1.663 -7.088 -7.985 1.00 0.00 N ATOM 614 CA LYS A 43 -1.701 -8.120 -9.017 1.00 0.00 C ATOM 615 C LYS A 43 -2.920 -7.960 -9.913 1.00 0.00 C ATOM 616 O LYS A 43 -3.985 -7.537 -9.463 1.00 0.00 O ATOM 617 CB LYS A 43 -1.702 -9.511 -8.381 1.00 0.00 C ATOM 618 CG LYS A 43 -2.897 -9.760 -7.475 1.00 0.00 C ATOM 619 CD LYS A 43 -2.884 -11.169 -6.904 1.00 0.00 C ATOM 620 CE LYS A 43 -4.090 -11.419 -6.013 1.00 0.00 C ATOM 621 NZ LYS A 43 -4.091 -12.799 -5.452 1.00 0.00 N ATOM 0 H LYS A 43 -1.722 -7.446 -7.032 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.808 -8.008 -9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.691 -10.263 -9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.786 -9.640 -7.805 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.893 -9.037 -6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.818 -9.603 -8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.876 -11.893 -7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.969 -11.323 -6.332 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.095 -10.696 -5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.004 -11.260 -6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.517 -12.788 -4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.643 -13.425 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.114 -13.148 -5.388 1.00 0.00 H new ATOM 635 N GLY A 44 -2.748 -8.299 -11.187 1.00 0.00 N ATOM 636 CA GLY A 44 -3.832 -8.183 -12.141 1.00 0.00 C ATOM 637 C GLY A 44 -4.036 -6.755 -12.597 1.00 0.00 C ATOM 638 O GLY A 44 -4.222 -6.497 -13.786 1.00 0.00 O ATOM 0 H GLY A 44 -1.874 -8.653 -11.575 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.623 -8.813 -13.005 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.752 -8.555 -11.691 1.00 0.00 H new ATOM 642 N PHE A 45 -3.995 -5.823 -11.649 1.00 0.00 N ATOM 643 CA PHE A 45 -4.171 -4.414 -11.961 1.00 0.00 C ATOM 644 C PHE A 45 -2.888 -3.818 -12.533 1.00 0.00 C ATOM 645 O PHE A 45 -1.813 -3.962 -11.951 1.00 0.00 O ATOM 646 CB PHE A 45 -4.607 -3.634 -10.714 1.00 0.00 C ATOM 647 CG PHE A 45 -5.994 -3.975 -10.234 1.00 0.00 C ATOM 648 CD1 PHE A 45 -6.350 -5.286 -9.957 1.00 0.00 C ATOM 649 CD2 PHE A 45 -6.941 -2.978 -10.061 1.00 0.00 C ATOM 650 CE1 PHE A 45 -7.624 -5.595 -9.519 1.00 0.00 C ATOM 651 CE2 PHE A 45 -8.217 -3.281 -9.623 1.00 0.00 C ATOM 652 CZ PHE A 45 -8.558 -4.592 -9.352 1.00 0.00 C ATOM 0 H PHE A 45 -3.841 -6.021 -10.660 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.954 -4.333 -12.715 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.897 -3.828 -9.910 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.560 -2.567 -10.930 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.624 -6.075 -10.085 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.679 -1.952 -10.271 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.889 -6.620 -9.308 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.946 -2.494 -9.493 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.554 -4.832 -9.010 1.00 0.00 H new ATOM 662 N SER A 46 -3.009 -3.150 -13.676 1.00 0.00 N ATOM 663 CA SER A 46 -1.857 -2.533 -14.327 1.00 0.00 C ATOM 664 C SER A 46 -1.262 -1.435 -13.452 1.00 0.00 C ATOM 665 O SER A 46 -1.821 -1.085 -12.413 1.00 0.00 O ATOM 666 CB SER A 46 -2.253 -1.962 -15.690 1.00 0.00 C ATOM 667 OG SER A 46 -3.220 -0.936 -15.553 1.00 0.00 O ATOM 0 H SER A 46 -3.892 -3.022 -14.171 1.00 0.00 H new ATOM 0 HA SER A 46 -1.101 -3.304 -14.475 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.370 -1.568 -16.193 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.650 -2.758 -16.320 1.00 0.00 H new ATOM 0 HG SER A 46 -3.957 -1.254 -14.991 1.00 0.00 H new ATOM 673 N ASP A 47 -0.121 -0.900 -13.877 1.00 0.00 N ATOM 674 CA ASP A 47 0.559 0.154 -13.129 1.00 0.00 C ATOM 675 C ASP A 47 -0.356 1.356 -12.904 1.00 0.00 C ATOM 676 O ASP A 47 -0.383 1.931 -11.817 1.00 0.00 O ATOM 677 CB ASP A 47 1.825 0.593 -13.867 1.00 0.00 C ATOM 678 CG ASP A 47 2.585 1.673 -13.122 1.00 0.00 C ATOM 679 OD1 ASP A 47 2.988 1.427 -11.967 1.00 0.00 O ATOM 680 OD2 ASP A 47 2.777 2.766 -13.697 1.00 0.00 O ATOM 0 H ASP A 47 0.353 -1.179 -14.736 1.00 0.00 H new ATOM 0 HA ASP A 47 0.832 -0.251 -12.155 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.475 -0.270 -14.012 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.556 0.960 -14.858 1.00 0.00 H new ATOM 685 N GLU A 48 -1.099 1.736 -13.937 1.00 0.00 N ATOM 686 CA GLU A 48 -2.008 2.870 -13.849 1.00 0.00 C ATOM 687 C GLU A 48 -3.082 2.638 -12.788 1.00 0.00 C ATOM 688 O GLU A 48 -3.447 3.552 -12.049 1.00 0.00 O ATOM 689 CB GLU A 48 -2.660 3.123 -15.209 1.00 0.00 C ATOM 690 CG GLU A 48 -1.665 3.441 -16.316 1.00 0.00 C ATOM 691 CD GLU A 48 -0.914 4.741 -16.087 1.00 0.00 C ATOM 692 OE1 GLU A 48 -1.200 5.429 -15.085 1.00 0.00 O ATOM 693 OE2 GLU A 48 -0.044 5.075 -16.918 1.00 0.00 O ATOM 0 H GLU A 48 -1.089 1.274 -14.846 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.429 3.746 -13.557 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.238 2.244 -15.494 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.363 3.951 -15.116 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.948 2.624 -16.398 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.194 3.497 -17.267 1.00 0.00 H new ATOM 700 N ASP A 49 -3.589 1.410 -12.727 1.00 0.00 N ATOM 701 CA ASP A 49 -4.627 1.048 -11.770 1.00 0.00 C ATOM 702 C ASP A 49 -4.157 1.195 -10.324 1.00 0.00 C ATOM 703 O ASP A 49 -4.975 1.369 -9.421 1.00 0.00 O ATOM 704 CB ASP A 49 -5.096 -0.384 -12.024 1.00 0.00 C ATOM 705 CG ASP A 49 -5.880 -0.511 -13.317 1.00 0.00 C ATOM 706 OD1 ASP A 49 -5.337 -0.142 -14.379 1.00 0.00 O ATOM 707 OD2 ASP A 49 -7.036 -0.981 -13.267 1.00 0.00 O ATOM 0 H ASP A 49 -3.295 0.645 -13.334 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.458 1.739 -11.914 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.231 -1.047 -12.059 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.717 -0.714 -11.191 1.00 0.00 H new ATOM 712 N ASN A 50 -2.843 1.115 -10.104 1.00 0.00 N ATOM 713 CA ASN A 50 -2.287 1.233 -8.754 1.00 0.00 C ATOM 714 C ASN A 50 -2.912 2.395 -7.994 1.00 0.00 C ATOM 715 O ASN A 50 -3.238 3.431 -8.573 1.00 0.00 O ATOM 716 CB ASN A 50 -0.768 1.419 -8.790 1.00 0.00 C ATOM 717 CG ASN A 50 -0.032 0.191 -9.286 1.00 0.00 C ATOM 718 OD1 ASN A 50 -0.328 -0.932 -8.879 1.00 0.00 O ATOM 719 ND2 ASN A 50 0.956 0.405 -10.144 1.00 0.00 N ATOM 0 H ASN A 50 -2.149 0.970 -10.837 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.521 0.302 -8.238 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.526 2.265 -9.433 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.414 1.668 -7.790 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.506 -0.379 -10.494 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.166 1.354 -10.454 1.00 0.00 H new ATOM 726 N THR A 51 -3.063 2.213 -6.688 1.00 0.00 N ATOM 727 CA THR A 51 -3.634 3.239 -5.830 1.00 0.00 C ATOM 728 C THR A 51 -2.963 3.222 -4.463 1.00 0.00 C ATOM 729 O THR A 51 -2.817 2.168 -3.843 1.00 0.00 O ATOM 730 CB THR A 51 -5.157 3.059 -5.658 1.00 0.00 C ATOM 731 OG1 THR A 51 -5.683 4.101 -4.827 1.00 0.00 O ATOM 732 CG2 THR A 51 -5.485 1.704 -5.045 1.00 0.00 C ATOM 0 H THR A 51 -2.796 1.359 -6.199 1.00 0.00 H new ATOM 0 HA THR A 51 -3.457 4.200 -6.313 1.00 0.00 H new ATOM 0 HB THR A 51 -5.616 3.111 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.650 3.981 -4.724 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.565 1.606 -4.936 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.112 0.911 -5.694 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.013 1.624 -4.066 1.00 0.00 H new ATOM 740 N TRP A 52 -2.541 4.394 -4.008 1.00 0.00 N ATOM 741 CA TRP A 52 -1.871 4.517 -2.724 1.00 0.00 C ATOM 742 C TRP A 52 -2.849 4.258 -1.582 1.00 0.00 C ATOM 743 O TRP A 52 -3.927 4.852 -1.532 1.00 0.00 O ATOM 744 CB TRP A 52 -1.264 5.911 -2.577 1.00 0.00 C ATOM 745 CG TRP A 52 -0.474 6.373 -3.769 1.00 0.00 C ATOM 746 CD1 TRP A 52 -0.919 6.535 -5.053 1.00 0.00 C ATOM 747 CD2 TRP A 52 0.909 6.722 -3.783 1.00 0.00 C ATOM 748 NE1 TRP A 52 0.099 6.984 -5.853 1.00 0.00 N ATOM 749 CE2 TRP A 52 1.232 7.106 -5.098 1.00 0.00 C ATOM 750 CE3 TRP A 52 1.903 6.754 -2.809 1.00 0.00 C ATOM 751 CZ2 TRP A 52 2.510 7.514 -5.460 1.00 0.00 C ATOM 752 CZ3 TRP A 52 3.170 7.154 -3.168 1.00 0.00 C ATOM 753 CH2 TRP A 52 3.465 7.531 -4.485 1.00 0.00 C ATOM 0 H TRP A 52 -2.652 5.274 -4.512 1.00 0.00 H new ATOM 0 HA TRP A 52 -1.075 3.774 -2.680 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.066 6.625 -2.389 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.616 5.921 -1.701 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.927 6.338 -5.387 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.024 7.193 -6.849 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.684 6.470 -1.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.739 7.806 -6.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.950 7.178 -2.422 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.469 7.842 -4.734 1.00 0.00 H new ATOM 764 N GLU A 53 -2.471 3.372 -0.668 1.00 0.00 N ATOM 765 CA GLU A 53 -3.320 3.044 0.472 1.00 0.00 C ATOM 766 C GLU A 53 -2.668 3.482 1.781 1.00 0.00 C ATOM 767 O GLU A 53 -1.446 3.436 1.915 1.00 0.00 O ATOM 768 CB GLU A 53 -3.607 1.540 0.515 1.00 0.00 C ATOM 769 CG GLU A 53 -4.292 1.009 -0.735 1.00 0.00 C ATOM 770 CD GLU A 53 -5.659 1.625 -0.970 1.00 0.00 C ATOM 771 OE1 GLU A 53 -6.108 2.426 -0.123 1.00 0.00 O ATOM 772 OE2 GLU A 53 -6.286 1.302 -2.001 1.00 0.00 O ATOM 0 H GLU A 53 -1.584 2.869 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.260 3.582 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.668 1.005 0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.233 1.324 1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.658 1.204 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.396 -0.073 -0.653 1.00 0.00 H new ATOM 779 N PRO A 54 -3.477 3.911 2.768 1.00 0.00 N ATOM 780 CA PRO A 54 -2.965 4.349 4.070 1.00 0.00 C ATOM 781 C PRO A 54 -2.091 3.283 4.719 1.00 0.00 C ATOM 782 O PRO A 54 -2.441 2.104 4.728 1.00 0.00 O ATOM 783 CB PRO A 54 -4.231 4.596 4.904 1.00 0.00 C ATOM 784 CG PRO A 54 -5.338 3.937 4.150 1.00 0.00 C ATOM 785 CD PRO A 54 -4.943 3.992 2.705 1.00 0.00 C ATOM 0 HA PRO A 54 -2.332 5.232 3.985 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.131 4.174 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.419 5.663 5.026 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.474 2.907 4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.284 4.452 4.316 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -5.370 3.166 2.137 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.278 4.913 2.228 1.00 0.00 H new ATOM 793 N GLU A 55 -0.947 3.707 5.247 1.00 0.00 N ATOM 794 CA GLU A 55 -0.005 2.792 5.885 1.00 0.00 C ATOM 795 C GLU A 55 -0.687 1.940 6.954 1.00 0.00 C ATOM 796 O GLU A 55 -0.402 0.748 7.081 1.00 0.00 O ATOM 797 CB GLU A 55 1.155 3.578 6.504 1.00 0.00 C ATOM 798 CG GLU A 55 2.232 2.696 7.117 1.00 0.00 C ATOM 799 CD GLU A 55 3.359 3.499 7.738 1.00 0.00 C ATOM 800 OE1 GLU A 55 3.083 4.288 8.667 1.00 0.00 O ATOM 801 OE2 GLU A 55 4.516 3.339 7.298 1.00 0.00 O ATOM 0 H GLU A 55 -0.649 4.682 5.246 1.00 0.00 H new ATOM 0 HA GLU A 55 0.380 2.121 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.606 4.207 5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.762 4.244 7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.784 2.057 7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.639 2.039 6.349 1.00 0.00 H new ATOM 808 N GLU A 56 -1.583 2.553 7.723 1.00 0.00 N ATOM 809 CA GLU A 56 -2.298 1.842 8.781 1.00 0.00 C ATOM 810 C GLU A 56 -3.004 0.608 8.226 1.00 0.00 C ATOM 811 O GLU A 56 -2.913 -0.480 8.795 1.00 0.00 O ATOM 812 CB GLU A 56 -3.314 2.770 9.450 1.00 0.00 C ATOM 813 CG GLU A 56 -2.696 4.010 10.077 1.00 0.00 C ATOM 814 CD GLU A 56 -1.739 3.687 11.210 1.00 0.00 C ATOM 815 OE1 GLU A 56 -0.716 3.018 10.954 1.00 0.00 O ATOM 816 OE2 GLU A 56 -2.014 4.104 12.355 1.00 0.00 O ATOM 0 H GLU A 56 -1.831 3.538 7.634 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.570 1.517 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.052 3.079 8.710 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.848 2.213 10.220 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.165 4.572 9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.490 4.655 10.452 1.00 0.00 H new ATOM 823 N ASN A 57 -3.701 0.787 7.110 1.00 0.00 N ATOM 824 CA ASN A 57 -4.422 -0.306 6.467 1.00 0.00 C ATOM 825 C ASN A 57 -3.458 -1.378 5.971 1.00 0.00 C ATOM 826 O ASN A 57 -3.758 -2.572 6.023 1.00 0.00 O ATOM 827 CB ASN A 57 -5.244 0.225 5.292 1.00 0.00 C ATOM 828 CG ASN A 57 -6.328 1.191 5.730 1.00 0.00 C ATOM 829 OD1 ASN A 57 -6.075 2.122 6.495 1.00 0.00 O ATOM 830 ND2 ASN A 57 -7.540 0.990 5.225 1.00 0.00 N ATOM 0 H ASN A 57 -3.782 1.683 6.629 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.088 -0.751 7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.581 0.724 4.585 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.700 -0.613 4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.305 1.620 5.468 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.706 0.206 4.594 1.00 0.00 H new ATOM 837 N LEU A 58 -2.308 -0.941 5.468 1.00 0.00 N ATOM 838 CA LEU A 58 -1.304 -1.857 4.937 1.00 0.00 C ATOM 839 C LEU A 58 -0.844 -2.858 5.989 1.00 0.00 C ATOM 840 O LEU A 58 -0.471 -2.484 7.100 1.00 0.00 O ATOM 841 CB LEU A 58 -0.092 -1.080 4.416 1.00 0.00 C ATOM 842 CG LEU A 58 -0.410 0.155 3.571 1.00 0.00 C ATOM 843 CD1 LEU A 58 0.850 0.690 2.915 1.00 0.00 C ATOM 844 CD2 LEU A 58 -1.462 -0.159 2.521 1.00 0.00 C ATOM 0 H LEU A 58 -2.048 0.044 5.417 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.769 -2.405 4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.511 -0.769 5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.522 -1.756 3.821 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.811 0.922 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.605 1.568 2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.572 0.964 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.279 -0.078 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.669 0.736 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.096 -0.947 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.377 -0.492 3.011 1.00 0.00 H new ATOM 856 N ASP A 59 -0.854 -4.134 5.616 1.00 0.00 N ATOM 857 CA ASP A 59 -0.416 -5.198 6.509 1.00 0.00 C ATOM 858 C ASP A 59 0.879 -5.808 5.982 1.00 0.00 C ATOM 859 O ASP A 59 1.051 -7.027 5.965 1.00 0.00 O ATOM 860 CB ASP A 59 -1.502 -6.273 6.632 1.00 0.00 C ATOM 861 CG ASP A 59 -1.151 -7.338 7.654 1.00 0.00 C ATOM 862 OD1 ASP A 59 -0.973 -6.989 8.839 1.00 0.00 O ATOM 863 OD2 ASP A 59 -1.055 -8.522 7.267 1.00 0.00 O ATOM 0 H ASP A 59 -1.162 -4.456 4.698 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.235 -4.780 7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.445 -5.802 6.911 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.656 -6.743 5.660 1.00 0.00 H new ATOM 868 N CYS A 60 1.786 -4.942 5.538 1.00 0.00 N ATOM 869 CA CYS A 60 3.066 -5.377 4.991 1.00 0.00 C ATOM 870 C CYS A 60 4.233 -4.695 5.708 1.00 0.00 C ATOM 871 O CYS A 60 5.006 -3.969 5.087 1.00 0.00 O ATOM 872 CB CYS A 60 3.129 -5.065 3.494 1.00 0.00 C ATOM 873 SG CYS A 60 1.742 -5.729 2.541 1.00 0.00 S ATOM 0 H CYS A 60 1.656 -3.930 5.547 1.00 0.00 H new ATOM 0 HA CYS A 60 3.150 -6.453 5.144 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.163 -3.984 3.360 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.059 -5.465 3.089 1.00 0.00 H new ATOM 0 HG CYS A 60 0.822 -6.156 3.354 1.00 0.00 H new ATOM 879 N PRO A 61 4.377 -4.914 7.028 1.00 0.00 N ATOM 880 CA PRO A 61 5.458 -4.305 7.812 1.00 0.00 C ATOM 881 C PRO A 61 6.837 -4.576 7.217 1.00 0.00 C ATOM 882 O PRO A 61 7.685 -3.685 7.161 1.00 0.00 O ATOM 883 CB PRO A 61 5.330 -4.974 9.183 1.00 0.00 C ATOM 884 CG PRO A 61 3.908 -5.408 9.264 1.00 0.00 C ATOM 885 CD PRO A 61 3.505 -5.764 7.861 1.00 0.00 C ATOM 0 HA PRO A 61 5.370 -3.219 7.842 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.008 -5.822 9.274 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.578 -4.280 9.986 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.798 -6.263 9.931 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.279 -4.611 9.661 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.661 -6.823 7.655 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.450 -5.556 7.681 1.00 0.00 H new ATOM 893 N ASP A 62 7.057 -5.812 6.779 1.00 0.00 N ATOM 894 CA ASP A 62 8.338 -6.200 6.196 1.00 0.00 C ATOM 895 C ASP A 62 8.580 -5.495 4.862 1.00 0.00 C ATOM 896 O ASP A 62 9.654 -4.936 4.637 1.00 0.00 O ATOM 897 CB ASP A 62 8.396 -7.717 6.005 1.00 0.00 C ATOM 898 CG ASP A 62 9.737 -8.194 5.475 1.00 0.00 C ATOM 899 OD1 ASP A 62 10.645 -7.354 5.303 1.00 0.00 O ATOM 900 OD2 ASP A 62 9.879 -9.412 5.238 1.00 0.00 O ATOM 0 H ASP A 62 6.366 -6.561 6.816 1.00 0.00 H new ATOM 0 HA ASP A 62 9.124 -5.895 6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.192 -8.206 6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.609 -8.022 5.315 1.00 0.00 H new ATOM 905 N LEU A 63 7.584 -5.528 3.979 1.00 0.00 N ATOM 906 CA LEU A 63 7.712 -4.893 2.670 1.00 0.00 C ATOM 907 C LEU A 63 7.961 -3.396 2.802 1.00 0.00 C ATOM 908 O LEU A 63 8.830 -2.846 2.125 1.00 0.00 O ATOM 909 CB LEU A 63 6.465 -5.136 1.818 1.00 0.00 C ATOM 910 CG LEU A 63 6.203 -6.597 1.444 1.00 0.00 C ATOM 911 CD1 LEU A 63 5.056 -6.686 0.453 1.00 0.00 C ATOM 912 CD2 LEU A 63 7.458 -7.242 0.869 1.00 0.00 C ATOM 0 H LEU A 63 6.687 -5.984 4.144 1.00 0.00 H new ATOM 0 HA LEU A 63 8.571 -5.345 2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.597 -4.755 2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.552 -4.553 0.901 1.00 0.00 H new ATOM 0 HG LEU A 63 5.928 -7.141 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.879 -7.730 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.155 -6.265 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.309 -6.127 -0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.248 -8.280 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.768 -6.701 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.257 -7.207 1.610 1.00 0.00 H new ATOM 924 N ILE A 64 7.204 -2.741 3.676 1.00 0.00 N ATOM 925 CA ILE A 64 7.365 -1.309 3.886 1.00 0.00 C ATOM 926 C ILE A 64 8.809 -0.994 4.251 1.00 0.00 C ATOM 927 O ILE A 64 9.459 -0.183 3.597 1.00 0.00 O ATOM 928 CB ILE A 64 6.430 -0.781 4.994 1.00 0.00 C ATOM 929 CG1 ILE A 64 4.966 -0.998 4.600 1.00 0.00 C ATOM 930 CG2 ILE A 64 6.701 0.694 5.261 1.00 0.00 C ATOM 931 CD1 ILE A 64 3.978 -0.581 5.669 1.00 0.00 C ATOM 0 H ILE A 64 6.478 -3.176 4.246 1.00 0.00 H new ATOM 0 HA ILE A 64 7.099 -0.811 2.953 1.00 0.00 H new ATOM 0 HB ILE A 64 6.627 -1.336 5.911 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.758 -0.439 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.814 -2.052 4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.033 1.051 6.045 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.735 0.822 5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.529 1.266 4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.963 -0.764 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.158 -1.158 6.576 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.101 0.480 5.884 1.00 0.00 H new ATOM 943 N ALA A 65 9.312 -1.662 5.283 1.00 0.00 N ATOM 944 CA ALA A 65 10.688 -1.465 5.718 1.00 0.00 C ATOM 945 C ALA A 65 11.651 -1.700 4.561 1.00 0.00 C ATOM 946 O ALA A 65 12.647 -0.994 4.414 1.00 0.00 O ATOM 947 CB ALA A 65 11.013 -2.396 6.879 1.00 0.00 C ATOM 0 H ALA A 65 8.788 -2.343 5.832 1.00 0.00 H new ATOM 0 HA ALA A 65 10.802 -0.435 6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.044 -2.238 7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.343 -2.186 7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.885 -3.431 6.562 1.00 0.00 H new ATOM 953 N GLU A 66 11.339 -2.697 3.742 1.00 0.00 N ATOM 954 CA GLU A 66 12.165 -3.039 2.591 1.00 0.00 C ATOM 955 C GLU A 66 12.307 -1.856 1.635 1.00 0.00 C ATOM 956 O GLU A 66 13.343 -1.692 0.989 1.00 0.00 O ATOM 957 CB GLU A 66 11.561 -4.237 1.849 1.00 0.00 C ATOM 958 CG GLU A 66 12.377 -4.683 0.646 1.00 0.00 C ATOM 959 CD GLU A 66 13.784 -5.104 1.021 1.00 0.00 C ATOM 960 OE1 GLU A 66 13.926 -6.051 1.823 1.00 0.00 O ATOM 961 OE2 GLU A 66 14.744 -4.488 0.512 1.00 0.00 O ATOM 0 H GLU A 66 10.514 -3.286 3.855 1.00 0.00 H new ATOM 0 HA GLU A 66 13.158 -3.300 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.465 -5.072 2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.554 -3.980 1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.871 -5.515 0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.426 -3.869 -0.078 1.00 0.00 H new ATOM 968 N PHE A 67 11.259 -1.042 1.536 1.00 0.00 N ATOM 969 CA PHE A 67 11.264 0.113 0.646 1.00 0.00 C ATOM 970 C PHE A 67 12.158 1.241 1.165 1.00 0.00 C ATOM 971 O PHE A 67 13.050 1.706 0.455 1.00 0.00 O ATOM 972 CB PHE A 67 9.830 0.613 0.441 1.00 0.00 C ATOM 973 CG PHE A 67 9.737 1.951 -0.234 1.00 0.00 C ATOM 974 CD1 PHE A 67 10.108 2.109 -1.561 1.00 0.00 C ATOM 975 CD2 PHE A 67 9.267 3.049 0.462 1.00 0.00 C ATOM 976 CE1 PHE A 67 10.013 3.342 -2.177 1.00 0.00 C ATOM 977 CE2 PHE A 67 9.169 4.283 -0.145 1.00 0.00 C ATOM 978 CZ PHE A 67 9.543 4.432 -1.467 1.00 0.00 C ATOM 0 H PHE A 67 10.394 -1.163 2.063 1.00 0.00 H new ATOM 0 HA PHE A 67 11.680 -0.205 -0.310 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.283 -0.120 -0.152 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.335 0.672 1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.475 1.260 -2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.973 2.939 1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.305 3.455 -3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.801 5.132 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.468 5.398 -1.945 1.00 0.00 H new ATOM 988 N LEU A 68 11.907 1.693 2.392 1.00 0.00 N ATOM 989 CA LEU A 68 12.680 2.779 2.977 1.00 0.00 C ATOM 990 C LEU A 68 14.149 2.406 3.173 1.00 0.00 C ATOM 991 O LEU A 68 15.040 3.196 2.857 1.00 0.00 O ATOM 992 CB LEU A 68 12.062 3.196 4.309 1.00 0.00 C ATOM 993 CG LEU A 68 10.619 3.704 4.226 1.00 0.00 C ATOM 994 CD1 LEU A 68 10.477 4.748 3.132 1.00 0.00 C ATOM 995 CD2 LEU A 68 9.642 2.564 4.003 1.00 0.00 C ATOM 0 H LEU A 68 11.174 1.322 2.997 1.00 0.00 H new ATOM 0 HA LEU A 68 12.650 3.615 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 68 12.092 2.344 4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 68 12.681 3.977 4.750 1.00 0.00 H new ATOM 0 HG LEU A 68 10.378 4.169 5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.444 5.094 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.134 5.591 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.750 4.309 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.628 2.959 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.883 2.055 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.712 1.857 4.830 1.00 0.00 H new ATOM 1007 N GLN A 69 14.400 1.212 3.702 1.00 0.00 N ATOM 1008 CA GLN A 69 15.770 0.760 3.941 1.00 0.00 C ATOM 1009 C GLN A 69 16.616 0.861 2.674 1.00 0.00 C ATOM 1010 O GLN A 69 17.764 1.302 2.721 1.00 0.00 O ATOM 1011 CB GLN A 69 15.782 -0.677 4.467 1.00 0.00 C ATOM 1012 CG GLN A 69 15.185 -0.823 5.858 1.00 0.00 C ATOM 1013 CD GLN A 69 15.198 -2.255 6.365 1.00 0.00 C ATOM 1014 OE1 GLN A 69 14.731 -2.535 7.470 1.00 0.00 O ATOM 1015 NE2 GLN A 69 15.735 -3.172 5.565 1.00 0.00 N ATOM 0 H GLN A 69 13.679 0.543 3.972 1.00 0.00 H new ATOM 0 HA GLN A 69 16.206 1.415 4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.229 -1.312 3.775 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.809 -1.041 4.482 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.740 -0.193 6.553 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.158 -0.457 5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.111 -2.899 4.657 1.00 0.00 H new ATOM 0 HE22 GLN A 69 15.771 -4.148 5.860 1.00 0.00 H new ATOM 1024 N SER A 70 16.043 0.459 1.544 1.00 0.00 N ATOM 1025 CA SER A 70 16.754 0.517 0.271 1.00 0.00 C ATOM 1026 C SER A 70 17.199 1.945 -0.023 1.00 0.00 C ATOM 1027 O SER A 70 18.365 2.198 -0.326 1.00 0.00 O ATOM 1028 CB SER A 70 15.857 0.012 -0.862 1.00 0.00 C ATOM 1029 OG SER A 70 15.465 -1.332 -0.641 1.00 0.00 O ATOM 0 H SER A 70 15.093 0.091 1.483 1.00 0.00 H new ATOM 0 HA SER A 70 17.634 -0.122 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.972 0.644 -0.939 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.387 0.088 -1.811 1.00 0.00 H new ATOM 0 HG SER A 70 14.604 -1.349 -0.173 1.00 0.00 H new ATOM 1035 N GLN A 71 16.254 2.873 0.076 1.00 0.00 N ATOM 1036 CA GLN A 71 16.523 4.283 -0.168 1.00 0.00 C ATOM 1037 C GLN A 71 17.077 4.958 1.087 1.00 0.00 C ATOM 1038 O GLN A 71 18.118 4.552 1.602 1.00 0.00 O ATOM 1039 CB GLN A 71 15.246 4.977 -0.644 1.00 0.00 C ATOM 1040 CG GLN A 71 14.713 4.423 -1.955 1.00 0.00 C ATOM 1041 CD GLN A 71 13.340 4.961 -2.317 1.00 0.00 C ATOM 1042 OE1 GLN A 71 12.800 4.641 -3.377 1.00 0.00 O ATOM 1043 NE2 GLN A 71 12.761 5.774 -1.440 1.00 0.00 N ATOM 0 H GLN A 71 15.286 2.670 0.326 1.00 0.00 H new ATOM 0 HA GLN A 71 17.280 4.367 -0.948 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.479 4.876 0.124 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.442 6.043 -0.761 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.413 4.664 -2.755 1.00 0.00 H new ATOM 0 HG3 GLN A 71 14.665 3.336 -1.890 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.242 6.015 -0.573 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.836 6.157 -1.634 1.00 0.00 H new ATOM 1270 N GLN B 5 2.344 -10.721 2.724 1.00 0.00 N ATOM 1271 CA GLN B 5 2.065 -9.700 3.730 1.00 0.00 C ATOM 1272 C GLN B 5 0.650 -9.162 3.551 1.00 0.00 C ATOM 1273 O GLN B 5 -0.076 -8.969 4.525 1.00 0.00 O ATOM 1274 CB GLN B 5 3.073 -8.552 3.633 1.00 0.00 C ATOM 1275 CG GLN B 5 4.468 -8.903 4.125 1.00 0.00 C ATOM 1276 CD GLN B 5 4.507 -9.206 5.612 1.00 0.00 C ATOM 1277 OE1 GLN B 5 3.860 -10.139 6.087 1.00 0.00 O ATOM 1278 NE2 GLN B 5 5.269 -8.413 6.357 1.00 0.00 N ATOM 0 HA GLN B 5 2.154 -10.157 4.715 1.00 0.00 H new ATOM 0 HB2 GLN B 5 3.137 -8.227 2.595 1.00 0.00 H new ATOM 0 HB3 GLN B 5 2.699 -7.706 4.209 1.00 0.00 H new ATOM 0 HG2 GLN B 5 4.837 -9.767 3.573 1.00 0.00 H new ATOM 0 HG3 GLN B 5 5.144 -8.075 3.909 1.00 0.00 H new ATOM 0 HE21 GLN B 5 5.789 -7.651 5.923 1.00 0.00 H new ATOM 0 HE22 GLN B 5 5.334 -8.566 7.363 1.00 0.00 H new ATOM 1287 N THR B 6 0.272 -8.942 2.291 1.00 0.00 N ATOM 1288 CA THR B 6 -1.058 -8.443 1.932 1.00 0.00 C ATOM 1289 C THR B 6 -1.364 -7.085 2.559 1.00 0.00 C ATOM 1290 O THR B 6 -1.023 -6.821 3.711 1.00 0.00 O ATOM 1291 CB THR B 6 -2.171 -9.439 2.325 1.00 0.00 C ATOM 1292 OG1 THR B 6 -2.271 -9.548 3.750 1.00 0.00 O ATOM 1293 CG2 THR B 6 -1.897 -10.810 1.729 1.00 0.00 C ATOM 0 H THR B 6 0.880 -9.105 1.488 1.00 0.00 H new ATOM 0 HA THR B 6 -1.042 -8.329 0.848 1.00 0.00 H new ATOM 0 HB THR B 6 -3.114 -9.061 1.930 1.00 0.00 H new ATOM 0 HG1 THR B 6 -1.618 -8.951 4.170 1.00 0.00 H new ATOM 0 HG21 THR B 6 -2.692 -11.498 2.017 1.00 0.00 H new ATOM 0 HG22 THR B 6 -1.860 -10.733 0.642 1.00 0.00 H new ATOM 0 HG23 THR B 6 -0.942 -11.184 2.099 1.00 0.00 H new ATOM 1301 N ALA B 7 -2.033 -6.234 1.787 1.00 0.00 N ATOM 1302 CA ALA B 7 -2.420 -4.909 2.251 1.00 0.00 C ATOM 1303 C ALA B 7 -3.859 -4.619 1.851 1.00 0.00 C ATOM 1304 O ALA B 7 -4.194 -4.616 0.666 1.00 0.00 O ATOM 1305 CB ALA B 7 -1.490 -3.844 1.690 1.00 0.00 C ATOM 0 H ALA B 7 -2.319 -6.442 0.830 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.341 -4.887 3.338 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -1.800 -2.863 2.051 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -0.469 -4.044 2.015 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -1.534 -3.860 0.601 1.00 0.00 H new ATOM 1311 N ARG B 8 -4.708 -4.389 2.842 1.00 0.00 N ATOM 1312 CA ARG B 8 -6.116 -4.114 2.591 1.00 0.00 C ATOM 1313 C ARG B 8 -6.314 -2.720 2.009 1.00 0.00 C ATOM 1314 O ARG B 8 -5.879 -1.726 2.592 1.00 0.00 O ATOM 1315 CB ARG B 8 -6.919 -4.259 3.884 1.00 0.00 C ATOM 1316 CG ARG B 8 -6.804 -5.634 4.521 1.00 0.00 C ATOM 1317 CD ARG B 8 -7.596 -5.716 5.815 1.00 0.00 C ATOM 1318 NE ARG B 8 -7.141 -4.737 6.800 1.00 0.00 N ATOM 1319 CZ ARG B 8 -7.680 -4.601 8.008 1.00 0.00 C ATOM 1320 NH1 ARG B 8 -8.687 -5.378 8.381 1.00 0.00 N ATOM 1321 NH2 ARG B 8 -7.210 -3.686 8.845 1.00 0.00 N ATOM 0 H ARG B 8 -4.447 -4.387 3.828 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.474 -4.839 1.860 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -6.581 -3.508 4.598 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -7.968 -4.051 3.675 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -7.165 -6.390 3.824 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -5.756 -5.858 4.720 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -8.653 -5.553 5.604 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -7.505 -6.719 6.232 1.00 0.00 H new ATOM 0 HE ARG B 8 -6.366 -4.124 6.547 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -9.051 -6.083 7.741 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -9.098 -5.271 9.308 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -6.435 -3.086 8.562 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -7.624 -3.582 9.772 1.00 0.00 H new