USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 20 SER OG : rot -13:sc= 0.61! USER MOD Set 1.2: A 22 THR OG1 : rot -34:sc= 0.375 USER MOD Set 1.3: A 64 GLN :FLIP amide:sc= 0.351 F(o=-1.1,f=1.3) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -8.49! C(o=-8.5!,f=-8.7!) USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00749) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 112:sc= 1.28 USER MOD Single : A 41 GLN :FLIP amide:sc= -5.39! C(o=-6!,f=-5.4!) USER MOD Single : A 46 HIS : no HD1:sc= -4.05! X(o=-4.1!,f=-3.6) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.99 F(o=-3.4,f=-0.99) USER MOD Single : A 62 GLN : amide:sc= -4.67! C(o=-4.7!,f=-8.9!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0192 K(o=-0.019,f=-1.9!) USER MOD Single : A 74 THR OG1 : rot 161:sc= 0.323 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 14 1.786 -13.358 11.242 1.00 0.00 N ATOM 160 CA LEU A 14 1.892 -12.902 9.861 1.00 0.00 C ATOM 161 C LEU A 14 1.033 -11.664 9.628 1.00 0.00 C ATOM 162 O LEU A 14 1.500 -10.667 9.078 1.00 0.00 O ATOM 163 CB LEU A 14 1.470 -14.017 8.901 1.00 0.00 C ATOM 164 CG LEU A 14 2.476 -15.152 8.708 1.00 0.00 C ATOM 165 CD1 LEU A 14 1.795 -16.371 8.105 1.00 0.00 C ATOM 166 CD2 LEU A 14 3.632 -14.696 7.830 1.00 0.00 C ATOM 0 HA LEU A 14 2.933 -12.640 9.670 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.534 -14.445 9.261 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.263 -13.572 7.928 1.00 0.00 H new ATOM 0 HG LEU A 14 2.875 -15.429 9.684 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.526 -17.169 7.975 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.002 -16.711 8.771 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.369 -16.108 7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.338 -15.516 7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.251 -14.392 6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.136 -13.853 8.302 1.00 0.00 H new ATOM 178 N ARG A 15 -0.225 -11.734 10.052 1.00 0.00 N ATOM 179 CA ARG A 15 -1.150 -10.619 9.890 1.00 0.00 C ATOM 180 C ARG A 15 -0.625 -9.372 10.597 1.00 0.00 C ATOM 181 O ARG A 15 -1.078 -8.259 10.332 1.00 0.00 O ATOM 182 CB ARG A 15 -2.529 -10.988 10.439 1.00 0.00 C ATOM 183 CG ARG A 15 -2.595 -11.009 11.958 1.00 0.00 C ATOM 184 CD ARG A 15 -3.997 -10.702 12.458 1.00 0.00 C ATOM 185 NE ARG A 15 -4.182 -11.105 13.850 1.00 0.00 N ATOM 186 CZ ARG A 15 -4.516 -12.337 14.220 1.00 0.00 C ATOM 187 NH1 ARG A 15 -4.701 -13.280 13.306 1.00 0.00 N ATOM 188 NH2 ARG A 15 -4.666 -12.627 15.505 1.00 0.00 N ATOM 0 H ARG A 15 -0.627 -12.552 10.510 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.238 -10.403 8.825 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.263 -10.276 10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.812 -11.969 10.058 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.283 -11.987 12.323 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.895 -10.279 12.364 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.191 -9.634 12.361 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.726 -11.216 11.832 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.048 -10.403 14.577 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.587 -13.060 12.316 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.957 -14.225 13.593 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.525 -11.904 16.211 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.922 -13.573 15.788 1.00 0.00 H new ATOM 202 N SER A 16 0.330 -9.568 11.500 1.00 0.00 N ATOM 203 CA SER A 16 0.913 -8.461 12.250 1.00 0.00 C ATOM 204 C SER A 16 2.162 -7.932 11.552 1.00 0.00 C ATOM 205 O SER A 16 3.163 -7.622 12.199 1.00 0.00 O ATOM 206 CB SER A 16 1.258 -8.906 13.672 1.00 0.00 C ATOM 207 OG SER A 16 1.170 -7.822 14.581 1.00 0.00 O ATOM 0 H SER A 16 0.717 -10.483 11.730 1.00 0.00 H new ATOM 0 HA SER A 16 0.177 -7.658 12.298 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.580 -9.701 13.982 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.266 -9.321 13.692 1.00 0.00 H new ATOM 0 HG SER A 16 1.394 -8.133 15.483 1.00 0.00 H new ATOM 213 N PHE A 17 2.096 -7.830 10.229 1.00 0.00 N ATOM 214 CA PHE A 17 3.221 -7.339 9.443 1.00 0.00 C ATOM 215 C PHE A 17 2.938 -5.940 8.902 1.00 0.00 C ATOM 216 O PHE A 17 1.957 -5.724 8.191 1.00 0.00 O ATOM 217 CB PHE A 17 3.518 -8.295 8.286 1.00 0.00 C ATOM 218 CG PHE A 17 4.196 -7.633 7.120 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.463 -6.901 6.199 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.566 -7.743 6.945 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.084 -6.291 5.126 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.193 -7.135 5.874 1.00 0.00 C ATOM 223 CZ PHE A 17 5.451 -6.407 4.964 1.00 0.00 C ATOM 0 H PHE A 17 1.275 -8.081 9.679 1.00 0.00 H new ATOM 0 HA PHE A 17 4.093 -7.287 10.096 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.148 -9.107 8.649 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.584 -8.743 7.947 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.394 -6.806 6.322 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.151 -8.311 7.654 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.501 -5.724 4.415 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.262 -7.229 5.749 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.939 -5.929 4.127 1.00 0.00 H new ATOM 233 N LYS A 18 3.804 -4.993 9.246 1.00 0.00 N ATOM 234 CA LYS A 18 3.650 -3.615 8.797 1.00 0.00 C ATOM 235 C LYS A 18 4.688 -3.269 7.733 1.00 0.00 C ATOM 236 O LYS A 18 5.890 -3.418 7.955 1.00 0.00 O ATOM 237 CB LYS A 18 3.777 -2.653 9.980 1.00 0.00 C ATOM 238 CG LYS A 18 3.081 -1.321 9.760 1.00 0.00 C ATOM 239 CD LYS A 18 3.672 -0.231 10.635 1.00 0.00 C ATOM 240 CE LYS A 18 4.841 0.462 9.951 1.00 0.00 C ATOM 241 NZ LYS A 18 5.550 1.393 10.870 1.00 0.00 N ATOM 0 H LYS A 18 4.621 -5.155 9.835 1.00 0.00 H new ATOM 0 HA LYS A 18 2.658 -3.512 8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.362 -3.128 10.869 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.833 -2.473 10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.167 -1.034 8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.018 -1.425 9.976 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.902 0.503 10.874 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.005 -0.662 11.579 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.541 -0.287 9.582 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.479 1.014 9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.339 1.845 10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.888 2.123 11.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.918 0.863 11.685 1.00 0.00 H new ATOM 255 N LEU A 19 4.217 -2.807 6.581 1.00 0.00 N ATOM 256 CA LEU A 19 5.105 -2.440 5.483 1.00 0.00 C ATOM 257 C LEU A 19 5.095 -0.931 5.257 1.00 0.00 C ATOM 258 O LEU A 19 4.120 -0.251 5.577 1.00 0.00 O ATOM 259 CB LEU A 19 4.690 -3.162 4.201 1.00 0.00 C ATOM 260 CG LEU A 19 5.397 -2.716 2.921 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.779 -3.346 2.828 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.564 -3.073 1.699 1.00 0.00 C ATOM 0 H LEU A 19 3.225 -2.677 6.382 1.00 0.00 H new ATOM 0 HA LEU A 19 6.117 -2.743 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.865 -4.229 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.617 -3.030 4.064 1.00 0.00 H new ATOM 0 HG LEU A 19 5.514 -1.633 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.268 -3.017 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.377 -3.041 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.684 -4.432 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.083 -2.748 0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.415 -4.152 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.596 -2.575 1.760 1.00 0.00 H new ATOM 274 N SER A 20 6.187 -0.414 4.704 1.00 0.00 N ATOM 275 CA SER A 20 6.305 1.015 4.435 1.00 0.00 C ATOM 276 C SER A 20 6.737 1.264 2.994 1.00 0.00 C ATOM 277 O SER A 20 7.844 0.901 2.594 1.00 0.00 O ATOM 278 CB SER A 20 7.306 1.655 5.398 1.00 0.00 C ATOM 279 OG SER A 20 8.621 1.607 4.871 1.00 0.00 O ATOM 0 H SER A 20 7.003 -0.963 4.433 1.00 0.00 H new ATOM 0 HA SER A 20 5.326 1.470 4.585 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.024 2.691 5.586 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.276 1.137 6.357 1.00 0.00 H new ATOM 0 HG SER A 20 8.644 0.998 4.104 1.00 0.00 H new ATOM 285 N VAL A 21 5.856 1.885 2.217 1.00 0.00 N ATOM 286 CA VAL A 21 6.145 2.184 0.820 1.00 0.00 C ATOM 287 C VAL A 21 6.622 3.623 0.652 1.00 0.00 C ATOM 288 O VAL A 21 5.895 4.570 0.956 1.00 0.00 O ATOM 289 CB VAL A 21 4.909 1.959 -0.070 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.307 1.915 -1.538 1.00 0.00 C ATOM 291 CG2 VAL A 21 4.187 0.682 0.334 1.00 0.00 C ATOM 0 H VAL A 21 4.935 2.191 2.532 1.00 0.00 H new ATOM 0 HA VAL A 21 6.937 1.503 0.509 1.00 0.00 H new ATOM 0 HB VAL A 21 4.225 2.796 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.420 1.755 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.775 2.859 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.011 1.099 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.316 0.539 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.861 -0.167 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.866 0.759 1.373 1.00 0.00 H new ATOM 301 N THR A 22 7.850 3.781 0.168 1.00 0.00 N ATOM 302 CA THR A 22 8.426 5.104 -0.039 1.00 0.00 C ATOM 303 C THR A 22 7.913 5.730 -1.330 1.00 0.00 C ATOM 304 O THR A 22 8.298 5.323 -2.426 1.00 0.00 O ATOM 305 CB THR A 22 9.964 5.046 -0.086 1.00 0.00 C ATOM 306 OG1 THR A 22 10.463 4.343 1.058 1.00 0.00 O ATOM 307 CG2 THR A 22 10.558 6.446 -0.125 1.00 0.00 C ATOM 0 H THR A 22 8.465 3.009 -0.088 1.00 0.00 H new ATOM 0 HA THR A 22 8.119 5.719 0.807 1.00 0.00 H new ATOM 0 HB THR A 22 10.258 4.518 -0.993 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.882 4.517 1.828 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.645 6.379 -0.158 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.200 6.969 -1.012 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.255 6.995 0.767 1.00 0.00 H new ATOM 315 N VAL A 23 7.041 6.725 -1.194 1.00 0.00 N ATOM 316 CA VAL A 23 6.476 7.410 -2.351 1.00 0.00 C ATOM 317 C VAL A 23 6.137 8.859 -2.019 1.00 0.00 C ATOM 318 O VAL A 23 5.586 9.151 -0.957 1.00 0.00 O ATOM 319 CB VAL A 23 5.208 6.700 -2.859 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.512 7.542 -3.918 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.551 5.322 -3.403 1.00 0.00 C ATOM 0 H VAL A 23 6.711 7.074 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 23 7.234 7.388 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 23 4.523 6.574 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.618 7.024 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.231 8.504 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.188 7.702 -4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.643 4.834 -3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.256 5.422 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.001 4.721 -2.613 1.00 0.00 H new ATOM 331 N ASP A 24 6.468 9.763 -2.935 1.00 0.00 N ATOM 332 CA ASP A 24 6.196 11.182 -2.741 1.00 0.00 C ATOM 333 C ASP A 24 4.759 11.403 -2.278 1.00 0.00 C ATOM 334 O ASP A 24 3.824 10.754 -2.747 1.00 0.00 O ATOM 335 CB ASP A 24 6.451 11.954 -4.037 1.00 0.00 C ATOM 336 CG ASP A 24 6.619 13.442 -3.802 1.00 0.00 C ATOM 337 OD1 ASP A 24 5.604 14.118 -3.536 1.00 0.00 O ATOM 338 OD2 ASP A 24 7.766 13.930 -3.884 1.00 0.00 O ATOM 0 H ASP A 24 6.925 9.538 -3.819 1.00 0.00 H new ATOM 0 HA ASP A 24 6.869 11.552 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.346 11.562 -4.519 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.621 11.789 -4.724 1.00 0.00 H new ATOM 343 N PRO A 25 4.578 12.339 -1.335 1.00 0.00 N ATOM 344 CA PRO A 25 3.258 12.666 -0.788 1.00 0.00 C ATOM 345 C PRO A 25 2.369 13.377 -1.802 1.00 0.00 C ATOM 346 O PRO A 25 1.226 13.725 -1.506 1.00 0.00 O ATOM 347 CB PRO A 25 3.581 13.597 0.385 1.00 0.00 C ATOM 348 CG PRO A 25 4.895 14.204 0.035 1.00 0.00 C ATOM 349 CD PRO A 25 5.648 13.150 -0.731 1.00 0.00 C ATOM 0 HA PRO A 25 2.703 11.772 -0.502 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.812 14.360 0.508 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.637 13.046 1.324 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.762 15.103 -0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.440 14.499 0.932 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.296 13.590 -1.489 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.283 12.554 -0.076 1.00 0.00 H new ATOM 357 N LYS A 26 2.901 13.589 -3.002 1.00 0.00 N ATOM 358 CA LYS A 26 2.156 14.256 -4.062 1.00 0.00 C ATOM 359 C LYS A 26 1.285 13.262 -4.825 1.00 0.00 C ATOM 360 O LYS A 26 0.239 13.624 -5.364 1.00 0.00 O ATOM 361 CB LYS A 26 3.117 14.954 -5.027 1.00 0.00 C ATOM 362 CG LYS A 26 3.891 13.994 -5.915 1.00 0.00 C ATOM 363 CD LYS A 26 4.794 14.737 -6.886 1.00 0.00 C ATOM 364 CE LYS A 26 6.032 13.924 -7.229 1.00 0.00 C ATOM 365 NZ LYS A 26 7.155 14.790 -7.682 1.00 0.00 N ATOM 0 H LYS A 26 3.846 13.308 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 26 1.507 15.001 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.551 15.642 -5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.823 15.554 -4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.491 13.328 -5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.193 13.369 -6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.242 14.963 -7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.093 15.690 -6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.344 13.351 -6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.789 13.205 -8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.981 14.199 -7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.866 15.318 -8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.404 15.459 -6.926 1.00 0.00 H new ATOM 379 N TYR A 27 1.723 12.009 -4.864 1.00 0.00 N ATOM 380 CA TYR A 27 0.985 10.963 -5.561 1.00 0.00 C ATOM 381 C TYR A 27 0.036 10.240 -4.610 1.00 0.00 C ATOM 382 O TYR A 27 -0.884 9.545 -5.042 1.00 0.00 O ATOM 383 CB TYR A 27 1.952 9.961 -6.193 1.00 0.00 C ATOM 384 CG TYR A 27 2.817 10.558 -7.281 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.261 11.323 -8.297 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.192 10.356 -7.290 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.047 11.870 -9.293 1.00 0.00 C ATOM 388 CE2 TYR A 27 4.987 10.900 -8.281 1.00 0.00 C ATOM 389 CZ TYR A 27 4.409 11.656 -9.280 1.00 0.00 C ATOM 390 OH TYR A 27 5.197 12.200 -10.268 1.00 0.00 O ATOM 0 H TYR A 27 2.586 11.693 -4.421 1.00 0.00 H new ATOM 0 HA TYR A 27 0.395 11.433 -6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.594 9.548 -5.415 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.381 9.131 -6.609 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.195 11.494 -8.309 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.647 9.764 -6.510 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.597 12.461 -10.077 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.054 10.734 -8.273 1.00 0.00 H new ATOM 0 HH TYR A 27 6.133 11.955 -10.112 1.00 0.00 H new ATOM 400 N HIS A 28 0.266 10.410 -3.312 1.00 0.00 N ATOM 401 CA HIS A 28 -0.568 9.775 -2.298 1.00 0.00 C ATOM 402 C HIS A 28 -2.048 9.981 -2.605 1.00 0.00 C ATOM 403 O HIS A 28 -2.806 9.029 -2.791 1.00 0.00 O ATOM 404 CB HIS A 28 -0.240 10.337 -0.914 1.00 0.00 C ATOM 405 CG HIS A 28 0.776 9.529 -0.165 1.00 0.00 C ATOM 406 ND1 HIS A 28 0.907 9.569 1.207 1.00 0.00 N ATOM 407 CD2 HIS A 28 1.712 8.656 -0.606 1.00 0.00 C ATOM 408 CE1 HIS A 28 1.881 8.757 1.577 1.00 0.00 C ATOM 409 NE2 HIS A 28 2.385 8.190 0.496 1.00 0.00 N ATOM 0 H HIS A 28 1.023 10.982 -2.938 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.358 8.705 -2.308 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.128 11.357 -1.023 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.156 10.389 -0.326 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.341 10.137 1.837 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.895 8.378 -1.633 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.209 8.586 2.592 1.00 0.00 H new ATOM 417 N PRO A 29 -2.471 11.252 -2.659 1.00 0.00 N ATOM 418 CA PRO A 29 -3.863 11.613 -2.944 1.00 0.00 C ATOM 419 C PRO A 29 -4.255 11.318 -4.388 1.00 0.00 C ATOM 420 O PRO A 29 -5.418 11.457 -4.768 1.00 0.00 O ATOM 421 CB PRO A 29 -3.902 13.119 -2.677 1.00 0.00 C ATOM 422 CG PRO A 29 -2.500 13.578 -2.886 1.00 0.00 C ATOM 423 CD PRO A 29 -1.622 12.437 -2.447 1.00 0.00 C ATOM 0 HA PRO A 29 -4.564 11.041 -2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.589 13.624 -3.356 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.241 13.333 -1.663 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.323 13.827 -3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.292 14.476 -2.305 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.706 12.385 -3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.325 12.537 -1.403 1.00 0.00 H new ATOM 431 N LYS A 30 -3.277 10.910 -5.190 1.00 0.00 N ATOM 432 CA LYS A 30 -3.518 10.594 -6.592 1.00 0.00 C ATOM 433 C LYS A 30 -3.834 9.112 -6.770 1.00 0.00 C ATOM 434 O LYS A 30 -4.519 8.723 -7.716 1.00 0.00 O ATOM 435 CB LYS A 30 -2.300 10.970 -7.439 1.00 0.00 C ATOM 436 CG LYS A 30 -2.002 12.460 -7.446 1.00 0.00 C ATOM 437 CD LYS A 30 -3.095 13.244 -8.153 1.00 0.00 C ATOM 438 CE LYS A 30 -2.739 14.719 -8.265 1.00 0.00 C ATOM 439 NZ LYS A 30 -2.779 15.401 -6.942 1.00 0.00 N ATOM 0 H LYS A 30 -2.309 10.791 -4.892 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.378 11.174 -6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.428 10.435 -7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.463 10.635 -8.464 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.902 12.817 -6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.047 12.639 -7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.255 12.831 -9.149 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.033 13.135 -7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.743 14.821 -8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.433 15.209 -8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.581 16.414 -7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.722 15.283 -6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.063 14.983 -6.314 1.00 0.00 H new ATOM 453 N ILE A 31 -3.334 8.291 -5.853 1.00 0.00 N ATOM 454 CA ILE A 31 -3.566 6.853 -5.906 1.00 0.00 C ATOM 455 C ILE A 31 -4.942 6.497 -5.353 1.00 0.00 C ATOM 456 O ILE A 31 -5.664 5.686 -5.933 1.00 0.00 O ATOM 457 CB ILE A 31 -2.492 6.079 -5.119 1.00 0.00 C ATOM 458 CG1 ILE A 31 -1.096 6.445 -5.625 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.728 4.582 -5.234 1.00 0.00 C ATOM 460 CD1 ILE A 31 -0.007 6.240 -4.595 1.00 0.00 C ATOM 0 H ILE A 31 -2.765 8.597 -5.064 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.513 6.564 -6.956 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.561 6.358 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.869 5.845 -6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.095 7.488 -5.941 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.961 4.049 -4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.710 4.336 -4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.682 4.286 -6.282 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.956 6.520 -5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.210 6.861 -3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.019 5.192 -4.297 1.00 0.00 H new ATOM 472 N ILE A 32 -5.298 7.110 -4.230 1.00 0.00 N ATOM 473 CA ILE A 32 -6.588 6.860 -3.599 1.00 0.00 C ATOM 474 C ILE A 32 -7.707 6.820 -4.635 1.00 0.00 C ATOM 475 O ILE A 32 -8.522 5.898 -4.649 1.00 0.00 O ATOM 476 CB ILE A 32 -6.918 7.934 -2.546 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.838 7.965 -1.462 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.285 7.672 -1.932 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.979 9.126 -0.503 1.00 0.00 C ATOM 0 H ILE A 32 -4.711 7.784 -3.738 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.516 5.890 -3.106 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.942 8.907 -3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.873 7.032 -0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.858 8.014 -1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.504 8.440 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.045 7.695 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.287 6.693 -1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.181 9.085 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.914 10.064 -1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.944 9.067 0.000 1.00 0.00 H new ATOM 491 N GLY A 33 -7.738 7.825 -5.505 1.00 0.00 N ATOM 492 CA GLY A 33 -8.760 7.885 -6.534 1.00 0.00 C ATOM 493 C GLY A 33 -9.734 9.026 -6.318 1.00 0.00 C ATOM 494 O GLY A 33 -9.890 9.515 -5.199 1.00 0.00 O ATOM 0 H GLY A 33 -7.074 8.599 -5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.284 7.997 -7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.308 6.943 -6.553 1.00 0.00 H new ATOM 498 N ARG A 34 -10.390 9.453 -7.392 1.00 0.00 N ATOM 499 CA ARG A 34 -11.352 10.545 -7.316 1.00 0.00 C ATOM 500 C ARG A 34 -12.193 10.442 -6.046 1.00 0.00 C ATOM 501 O ARG A 34 -12.176 11.339 -5.203 1.00 0.00 O ATOM 502 CB ARG A 34 -12.263 10.538 -8.546 1.00 0.00 C ATOM 503 CG ARG A 34 -13.086 11.807 -8.700 1.00 0.00 C ATOM 504 CD ARG A 34 -12.247 12.952 -9.245 1.00 0.00 C ATOM 505 NE ARG A 34 -13.059 14.126 -9.556 1.00 0.00 N ATOM 506 CZ ARG A 34 -12.575 15.226 -10.121 1.00 0.00 C ATOM 507 NH1 ARG A 34 -11.289 15.303 -10.435 1.00 0.00 N ATOM 508 NH2 ARG A 34 -13.377 16.253 -10.372 1.00 0.00 N ATOM 0 H ARG A 34 -10.272 9.059 -8.325 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.797 11.483 -7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.653 10.400 -9.439 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.936 9.683 -8.484 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -13.925 11.619 -9.369 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -13.506 12.089 -7.734 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.484 13.222 -8.515 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.726 12.623 -10.144 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.052 14.099 -9.327 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.669 14.516 -10.243 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.920 16.149 -10.869 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.367 16.198 -10.131 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.004 17.097 -10.806 1.00 0.00 H new ATOM 522 N LYS A 35 -12.928 9.343 -5.919 1.00 0.00 N ATOM 523 CA LYS A 35 -13.775 9.120 -4.753 1.00 0.00 C ATOM 524 C LYS A 35 -13.085 8.206 -3.745 1.00 0.00 C ATOM 525 O LYS A 35 -13.227 8.381 -2.536 1.00 0.00 O ATOM 526 CB LYS A 35 -15.113 8.510 -5.178 1.00 0.00 C ATOM 527 CG LYS A 35 -16.110 8.378 -4.039 1.00 0.00 C ATOM 528 CD LYS A 35 -16.735 9.717 -3.687 1.00 0.00 C ATOM 529 CE LYS A 35 -17.338 9.701 -2.291 1.00 0.00 C ATOM 530 NZ LYS A 35 -17.302 11.047 -1.655 1.00 0.00 N ATOM 0 H LYS A 35 -12.954 8.592 -6.609 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.956 10.084 -4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.551 9.126 -5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -14.933 7.525 -5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.892 7.673 -4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.610 7.967 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -15.979 10.500 -3.749 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.508 9.962 -4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.369 9.353 -2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.794 8.991 -1.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.722 10.993 -0.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.316 11.369 -1.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.843 11.720 -2.235 1.00 0.00 H new ATOM 544 N GLY A 36 -12.337 7.231 -4.253 1.00 0.00 N ATOM 545 CA GLY A 36 -11.636 6.305 -3.383 1.00 0.00 C ATOM 546 C GLY A 36 -11.964 4.858 -3.690 1.00 0.00 C ATOM 547 O GLY A 36 -11.995 4.017 -2.792 1.00 0.00 O ATOM 0 H GLY A 36 -12.204 7.066 -5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.562 6.460 -3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.893 6.520 -2.346 1.00 0.00 H new ATOM 551 N ALA A 37 -12.212 4.567 -4.963 1.00 0.00 N ATOM 552 CA ALA A 37 -12.541 3.211 -5.388 1.00 0.00 C ATOM 553 C ALA A 37 -11.287 2.444 -5.792 1.00 0.00 C ATOM 554 O ALA A 37 -11.102 1.289 -5.408 1.00 0.00 O ATOM 555 CB ALA A 37 -13.536 3.245 -6.537 1.00 0.00 C ATOM 0 H ALA A 37 -12.191 5.252 -5.718 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.996 2.692 -4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.772 2.226 -6.844 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.448 3.747 -6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.102 3.786 -7.378 1.00 0.00 H new ATOM 561 N VAL A 38 -10.428 3.092 -6.572 1.00 0.00 N ATOM 562 CA VAL A 38 -9.191 2.471 -7.029 1.00 0.00 C ATOM 563 C VAL A 38 -8.471 1.770 -5.881 1.00 0.00 C ATOM 564 O VAL A 38 -8.326 0.547 -5.882 1.00 0.00 O ATOM 565 CB VAL A 38 -8.241 3.507 -7.659 1.00 0.00 C ATOM 566 CG1 VAL A 38 -6.912 2.863 -8.020 1.00 0.00 C ATOM 567 CG2 VAL A 38 -8.884 4.144 -8.881 1.00 0.00 C ATOM 0 H VAL A 38 -10.566 4.048 -6.901 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.467 1.736 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.049 4.291 -6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.254 3.610 -8.464 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.447 2.459 -7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.080 2.058 -8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.199 4.873 -9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.107 3.373 -9.619 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.808 4.643 -8.588 1.00 0.00 H new ATOM 577 N ILE A 39 -8.023 2.552 -4.905 1.00 0.00 N ATOM 578 CA ILE A 39 -7.319 2.006 -3.752 1.00 0.00 C ATOM 579 C ILE A 39 -8.111 0.869 -3.114 1.00 0.00 C ATOM 580 O ILE A 39 -7.545 -0.155 -2.727 1.00 0.00 O ATOM 581 CB ILE A 39 -7.054 3.090 -2.690 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.307 2.492 -1.496 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.362 3.722 -2.239 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.803 2.486 -1.666 1.00 0.00 C ATOM 0 H ILE A 39 -8.135 3.566 -4.890 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.365 1.623 -4.115 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.432 3.867 -3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.561 3.057 -0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.651 1.470 -1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.157 4.486 -1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.860 4.178 -3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.007 2.956 -1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.339 2.048 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.538 1.897 -2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.447 3.508 -1.794 1.00 0.00 H new ATOM 596 N THR A 40 -9.423 1.054 -3.008 1.00 0.00 N ATOM 597 CA THR A 40 -10.292 0.043 -2.419 1.00 0.00 C ATOM 598 C THR A 40 -10.162 -1.288 -3.150 1.00 0.00 C ATOM 599 O THR A 40 -9.973 -2.332 -2.527 1.00 0.00 O ATOM 600 CB THR A 40 -11.767 0.488 -2.443 1.00 0.00 C ATOM 601 OG1 THR A 40 -11.926 1.697 -1.692 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.667 -0.595 -1.869 1.00 0.00 C ATOM 0 H THR A 40 -9.907 1.895 -3.322 1.00 0.00 H new ATOM 0 HA THR A 40 -9.975 -0.083 -1.384 1.00 0.00 H new ATOM 0 HB THR A 40 -12.054 0.665 -3.479 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.147 2.433 -2.300 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.704 -0.259 -1.896 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.565 -1.504 -2.461 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.379 -0.799 -0.838 1.00 0.00 H new ATOM 610 N GLN A 41 -10.266 -1.243 -4.474 1.00 0.00 N ATOM 611 CA GLN A 41 -10.160 -2.448 -5.290 1.00 0.00 C ATOM 612 C GLN A 41 -8.916 -3.250 -4.917 1.00 0.00 C ATOM 613 O GLN A 41 -8.991 -4.458 -4.693 1.00 0.00 O ATOM 614 CB GLN A 41 -10.120 -2.082 -6.774 1.00 0.00 C ATOM 615 CG GLN A 41 -9.815 -3.262 -7.683 1.00 0.00 C ATOM 616 CD GLN A 41 -8.334 -3.579 -7.752 1.00 0.00 C ATOM 617 OE1 GLN A 41 -7.994 -4.852 -7.587 1.00 0.00 O flip ATOM 618 NE2 GLN A 41 -7.506 -2.691 -7.950 1.00 0.00 N flip ATOM 0 H GLN A 41 -10.423 -0.386 -5.005 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.038 -3.065 -5.099 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.080 -1.652 -7.060 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.366 -1.310 -6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.354 -4.139 -7.326 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.184 -3.048 -8.686 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.813 -1.726 -8.071 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.513 -2.920 -7.993 1.00 0.00 H new ATOM 627 N ILE A 42 -7.778 -2.568 -4.854 1.00 0.00 N ATOM 628 CA ILE A 42 -6.519 -3.218 -4.508 1.00 0.00 C ATOM 629 C ILE A 42 -6.565 -3.790 -3.095 1.00 0.00 C ATOM 630 O ILE A 42 -6.178 -4.935 -2.865 1.00 0.00 O ATOM 631 CB ILE A 42 -5.333 -2.241 -4.616 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.294 -1.605 -6.007 1.00 0.00 C ATOM 633 CG2 ILE A 42 -4.025 -2.961 -4.320 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.709 -0.210 -6.016 1.00 0.00 C ATOM 0 H ILE A 42 -7.701 -1.568 -5.037 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.377 -4.030 -5.221 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.464 -1.449 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.709 -2.240 -6.672 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.306 -1.569 -6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.196 -2.258 -4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.056 -3.372 -3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.885 -3.770 -5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.712 0.179 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.307 0.440 -5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.685 -0.242 -5.643 1.00 0.00 H new ATOM 646 N ARG A 43 -7.043 -2.985 -2.152 1.00 0.00 N ATOM 647 CA ARG A 43 -7.141 -3.409 -0.761 1.00 0.00 C ATOM 648 C ARG A 43 -7.882 -4.740 -0.650 1.00 0.00 C ATOM 649 O ARG A 43 -7.508 -5.605 0.143 1.00 0.00 O ATOM 650 CB ARG A 43 -7.858 -2.344 0.071 1.00 0.00 C ATOM 651 CG ARG A 43 -6.935 -1.255 0.591 1.00 0.00 C ATOM 652 CD ARG A 43 -7.714 -0.146 1.281 1.00 0.00 C ATOM 653 NE ARG A 43 -8.011 -0.470 2.674 1.00 0.00 N ATOM 654 CZ ARG A 43 -9.057 -1.198 3.051 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.899 -1.675 2.145 1.00 0.00 N ATOM 656 NH2 ARG A 43 -9.260 -1.451 4.337 1.00 0.00 N ATOM 0 H ARG A 43 -7.369 -2.034 -2.327 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.130 -3.541 -0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.640 -1.887 -0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.350 -2.826 0.916 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.219 -1.687 1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.361 -0.837 -0.236 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.141 0.780 1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.646 0.031 0.744 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.382 -0.119 3.396 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.745 -1.484 1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.701 -2.233 2.438 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.613 -1.087 5.037 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.063 -2.010 4.626 1.00 0.00 H new ATOM 670 N LEU A 44 -8.932 -4.895 -1.449 1.00 0.00 N ATOM 671 CA LEU A 44 -9.724 -6.119 -1.441 1.00 0.00 C ATOM 672 C LEU A 44 -9.054 -7.208 -2.273 1.00 0.00 C ATOM 673 O LEU A 44 -9.073 -8.382 -1.905 1.00 0.00 O ATOM 674 CB LEU A 44 -11.130 -5.843 -1.978 1.00 0.00 C ATOM 675 CG LEU A 44 -12.082 -5.118 -1.027 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.247 -4.512 -1.796 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.587 -6.066 0.049 1.00 0.00 C ATOM 0 H LEU A 44 -9.254 -4.188 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.797 -6.469 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.039 -5.252 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.583 -6.794 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.534 -4.310 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.914 -4.000 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.868 -3.799 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.795 -5.302 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.263 -5.532 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.118 -6.896 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.742 -6.451 0.620 1.00 0.00 H new ATOM 689 N GLU A 45 -8.461 -6.808 -3.393 1.00 0.00 N ATOM 690 CA GLU A 45 -7.783 -7.751 -4.275 1.00 0.00 C ATOM 691 C GLU A 45 -6.767 -8.586 -3.502 1.00 0.00 C ATOM 692 O GLU A 45 -6.743 -9.813 -3.611 1.00 0.00 O ATOM 693 CB GLU A 45 -7.085 -7.006 -5.415 1.00 0.00 C ATOM 694 CG GLU A 45 -6.442 -7.925 -6.439 1.00 0.00 C ATOM 695 CD GLU A 45 -5.802 -7.164 -7.585 1.00 0.00 C ATOM 696 OE1 GLU A 45 -6.518 -6.851 -8.560 1.00 0.00 O ATOM 697 OE2 GLU A 45 -4.588 -6.884 -7.508 1.00 0.00 O ATOM 0 H GLU A 45 -8.436 -5.839 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.534 -8.421 -4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.811 -6.367 -5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.321 -6.352 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.686 -8.538 -5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.196 -8.605 -6.835 1.00 0.00 H new ATOM 704 N HIS A 46 -5.928 -7.914 -2.720 1.00 0.00 N ATOM 705 CA HIS A 46 -4.909 -8.592 -1.928 1.00 0.00 C ATOM 706 C HIS A 46 -5.409 -8.856 -0.511 1.00 0.00 C ATOM 707 O HIS A 46 -4.758 -9.553 0.268 1.00 0.00 O ATOM 708 CB HIS A 46 -3.629 -7.759 -1.882 1.00 0.00 C ATOM 709 CG HIS A 46 -3.087 -7.418 -3.237 1.00 0.00 C ATOM 710 ND1 HIS A 46 -2.557 -8.359 -4.095 1.00 0.00 N ATOM 711 CD2 HIS A 46 -2.997 -6.231 -3.881 1.00 0.00 C ATOM 712 CE1 HIS A 46 -2.164 -7.765 -5.207 1.00 0.00 C ATOM 713 NE2 HIS A 46 -2.420 -6.473 -5.104 1.00 0.00 N ATOM 0 H HIS A 46 -5.934 -6.899 -2.618 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.693 -9.549 -2.403 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.825 -6.837 -1.335 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.869 -8.305 -1.323 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.319 -5.272 -3.504 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.710 -8.253 -6.057 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.222 -5.770 -5.816 1.00 0.00 H new ATOM 721 N ASP A 47 -6.568 -8.295 -0.184 1.00 0.00 N ATOM 722 CA ASP A 47 -7.156 -8.470 1.139 1.00 0.00 C ATOM 723 C ASP A 47 -6.270 -7.847 2.213 1.00 0.00 C ATOM 724 O ASP A 47 -6.178 -8.358 3.330 1.00 0.00 O ATOM 725 CB ASP A 47 -7.369 -9.956 1.434 1.00 0.00 C ATOM 726 CG ASP A 47 -8.438 -10.190 2.483 1.00 0.00 C ATOM 727 OD1 ASP A 47 -9.512 -9.561 2.386 1.00 0.00 O ATOM 728 OD2 ASP A 47 -8.201 -11.004 3.401 1.00 0.00 O ATOM 0 H ASP A 47 -7.119 -7.715 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.121 -7.964 1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.648 -10.470 0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.430 -10.395 1.772 1.00 0.00 H new ATOM 733 N VAL A 48 -5.619 -6.741 1.869 1.00 0.00 N ATOM 734 CA VAL A 48 -4.740 -6.048 2.803 1.00 0.00 C ATOM 735 C VAL A 48 -5.268 -4.654 3.124 1.00 0.00 C ATOM 736 O VAL A 48 -6.165 -4.149 2.451 1.00 0.00 O ATOM 737 CB VAL A 48 -3.309 -5.926 2.244 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.662 -7.298 2.132 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.323 -5.222 0.896 1.00 0.00 C ATOM 0 H VAL A 48 -5.684 -6.305 0.949 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.716 -6.644 3.715 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.716 -5.326 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.652 -7.193 1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.618 -7.761 3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.251 -7.925 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.305 -5.144 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.930 -5.793 0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.744 -4.223 1.011 1.00 0.00 H new ATOM 749 N ASN A 49 -4.704 -4.038 4.158 1.00 0.00 N ATOM 750 CA ASN A 49 -5.119 -2.701 4.570 1.00 0.00 C ATOM 751 C ASN A 49 -4.075 -1.662 4.174 1.00 0.00 C ATOM 752 O ASN A 49 -2.909 -1.760 4.562 1.00 0.00 O ATOM 753 CB ASN A 49 -5.352 -2.659 6.081 1.00 0.00 C ATOM 754 CG ASN A 49 -5.594 -1.251 6.589 1.00 0.00 C ATOM 755 OD1 ASN A 49 -6.582 -0.610 6.229 1.00 0.00 O ATOM 756 ND2 ASN A 49 -4.691 -0.762 7.432 1.00 0.00 N ATOM 0 H ASN A 49 -3.959 -4.442 4.726 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.053 -2.464 4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.208 -3.285 6.331 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.487 -3.083 6.591 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.801 0.180 7.808 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.887 -1.328 7.703 1.00 0.00 H new ATOM 763 N ILE A 50 -4.499 -0.667 3.403 1.00 0.00 N ATOM 764 CA ILE A 50 -3.600 0.391 2.958 1.00 0.00 C ATOM 765 C ILE A 50 -4.038 1.747 3.499 1.00 0.00 C ATOM 766 O ILE A 50 -5.098 2.258 3.137 1.00 0.00 O ATOM 767 CB ILE A 50 -3.532 0.461 1.421 1.00 0.00 C ATOM 768 CG1 ILE A 50 -3.180 -0.910 0.841 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.515 1.505 0.984 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.630 -1.094 -0.592 1.00 0.00 C ATOM 0 H ILE A 50 -5.459 -0.571 3.073 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.611 0.150 3.347 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.511 0.754 1.041 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.101 -1.052 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.635 -1.684 1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.478 1.543 -0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.806 2.481 1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.531 1.239 1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.347 -2.088 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.713 -0.984 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.155 -0.342 -1.222 1.00 0.00 H new ATOM 782 N GLN A 51 -3.214 2.327 4.366 1.00 0.00 N ATOM 783 CA GLN A 51 -3.517 3.626 4.955 1.00 0.00 C ATOM 784 C GLN A 51 -2.392 4.621 4.686 1.00 0.00 C ATOM 785 O GLN A 51 -1.213 4.274 4.753 1.00 0.00 O ATOM 786 CB GLN A 51 -3.739 3.486 6.462 1.00 0.00 C ATOM 787 CG GLN A 51 -4.604 4.586 7.054 1.00 0.00 C ATOM 788 CD GLN A 51 -4.703 4.503 8.565 1.00 0.00 C ATOM 789 OE1 GLN A 51 -3.878 3.863 9.218 1.00 0.00 O ATOM 790 NE2 GLN A 51 -5.715 5.151 9.129 1.00 0.00 N ATOM 0 H GLN A 51 -2.332 1.918 4.676 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.430 4.003 4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.204 2.521 6.664 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.772 3.485 6.965 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.193 5.556 6.774 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.604 4.527 6.625 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.375 5.669 8.549 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.832 5.131 10.142 1.00 0.00 H new ATOM 799 N PHE A 52 -2.766 5.859 4.380 1.00 0.00 N ATOM 800 CA PHE A 52 -1.790 6.905 4.099 1.00 0.00 C ATOM 801 C PHE A 52 -1.607 7.817 5.308 1.00 0.00 C ATOM 802 O PHE A 52 -2.507 7.990 6.129 1.00 0.00 O ATOM 803 CB PHE A 52 -2.228 7.728 2.886 1.00 0.00 C ATOM 804 CG PHE A 52 -2.434 6.906 1.646 1.00 0.00 C ATOM 805 CD1 PHE A 52 -3.671 6.346 1.369 1.00 0.00 C ATOM 806 CD2 PHE A 52 -1.392 6.694 0.758 1.00 0.00 C ATOM 807 CE1 PHE A 52 -3.863 5.588 0.229 1.00 0.00 C ATOM 808 CE2 PHE A 52 -1.579 5.938 -0.384 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.817 5.385 -0.649 1.00 0.00 C ATOM 0 H PHE A 52 -3.738 6.162 4.320 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.835 6.427 3.879 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.156 8.248 3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.477 8.492 2.685 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.494 6.503 2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.422 7.124 0.960 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.831 5.155 0.025 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.758 5.780 -1.068 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.966 4.795 -1.541 1.00 0.00 H new ATOM 819 N PRO A 53 -0.411 8.416 5.421 1.00 0.00 N ATOM 820 CA PRO A 53 -0.080 9.320 6.526 1.00 0.00 C ATOM 821 C PRO A 53 -0.842 10.639 6.444 1.00 0.00 C ATOM 822 O PRO A 53 -1.407 10.976 5.403 1.00 0.00 O ATOM 823 CB PRO A 53 1.422 9.559 6.351 1.00 0.00 C ATOM 824 CG PRO A 53 1.677 9.327 4.902 1.00 0.00 C ATOM 825 CD PRO A 53 0.709 8.256 4.478 1.00 0.00 C ATOM 0 HA PRO A 53 -0.348 8.896 7.494 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.698 10.572 6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.006 8.878 6.970 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.524 10.241 4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.707 9.012 4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.387 8.391 3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.153 7.263 4.546 1.00 0.00 H new ATOM 833 N ASP A 54 -0.852 11.380 7.546 1.00 0.00 N ATOM 834 CA ASP A 54 -1.544 12.663 7.598 1.00 0.00 C ATOM 835 C ASP A 54 -0.547 13.818 7.600 1.00 0.00 C ATOM 836 O ASP A 54 0.342 13.884 8.448 1.00 0.00 O ATOM 837 CB ASP A 54 -2.432 12.738 8.841 1.00 0.00 C ATOM 838 CG ASP A 54 -3.628 13.650 8.644 1.00 0.00 C ATOM 839 OD1 ASP A 54 -3.419 14.860 8.418 1.00 0.00 O ATOM 840 OD2 ASP A 54 -4.771 13.154 8.717 1.00 0.00 O ATOM 0 H ASP A 54 -0.389 11.115 8.415 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.169 12.747 6.709 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.780 11.737 9.096 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.842 13.095 9.685 1.00 0.00 H new ATOM 845 N LYS A 55 -0.701 14.727 6.642 1.00 0.00 N ATOM 846 CA LYS A 55 0.184 15.880 6.532 1.00 0.00 C ATOM 847 C LYS A 55 0.136 16.727 7.801 1.00 0.00 C ATOM 848 O LYS A 55 1.172 17.121 8.334 1.00 0.00 O ATOM 849 CB LYS A 55 -0.204 16.733 5.323 1.00 0.00 C ATOM 850 CG LYS A 55 -1.634 17.244 5.372 1.00 0.00 C ATOM 851 CD LYS A 55 -2.190 17.479 3.977 1.00 0.00 C ATOM 852 CE LYS A 55 -1.555 18.697 3.322 1.00 0.00 C ATOM 853 NZ LYS A 55 -2.204 19.031 2.025 1.00 0.00 N ATOM 0 H LYS A 55 -1.431 14.687 5.931 1.00 0.00 H new ATOM 0 HA LYS A 55 1.202 15.513 6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.475 17.583 5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.068 16.145 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.261 16.524 5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.670 18.173 5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.012 16.598 3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.270 17.616 4.033 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.629 19.551 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.494 18.510 3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.743 19.866 1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.112 18.226 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.211 19.235 2.183 1.00 0.00 H new ATOM 867 N ASP A 56 -1.073 16.999 8.279 1.00 0.00 N ATOM 868 CA ASP A 56 -1.256 17.796 9.487 1.00 0.00 C ATOM 869 C ASP A 56 -0.377 17.275 10.620 1.00 0.00 C ATOM 870 O ASP A 56 0.255 18.052 11.336 1.00 0.00 O ATOM 871 CB ASP A 56 -2.724 17.781 9.916 1.00 0.00 C ATOM 872 CG ASP A 56 -3.102 19.005 10.727 1.00 0.00 C ATOM 873 OD1 ASP A 56 -3.144 20.112 10.148 1.00 0.00 O ATOM 874 OD2 ASP A 56 -3.356 18.857 11.940 1.00 0.00 O ATOM 0 H ASP A 56 -1.941 16.680 7.849 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.961 18.821 9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.358 17.725 9.031 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.919 16.884 10.504 1.00 0.00 H new ATOM 879 N ASP A 57 -0.343 15.956 10.777 1.00 0.00 N ATOM 880 CA ASP A 57 0.458 15.331 11.822 1.00 0.00 C ATOM 881 C ASP A 57 1.869 15.910 11.845 1.00 0.00 C ATOM 882 O ASP A 57 2.279 16.534 12.823 1.00 0.00 O ATOM 883 CB ASP A 57 0.518 13.818 11.613 1.00 0.00 C ATOM 884 CG ASP A 57 0.674 13.058 12.915 1.00 0.00 C ATOM 885 OD1 ASP A 57 1.724 13.218 13.574 1.00 0.00 O ATOM 886 OD2 ASP A 57 -0.253 12.305 13.278 1.00 0.00 O ATOM 0 H ASP A 57 -0.861 15.299 10.193 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.016 15.539 12.781 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.391 13.488 11.110 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.352 13.578 10.954 1.00 0.00 H new ATOM 891 N GLY A 58 2.609 15.697 10.761 1.00 0.00 N ATOM 892 CA GLY A 58 3.966 16.204 10.678 1.00 0.00 C ATOM 893 C GLY A 58 4.990 15.202 11.174 1.00 0.00 C ATOM 894 O GLY A 58 5.663 14.547 10.380 1.00 0.00 O ATOM 0 H GLY A 58 2.293 15.182 9.939 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.190 16.466 9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.045 17.120 11.264 1.00 0.00 H new ATOM 898 N ASN A 59 5.108 15.083 12.493 1.00 0.00 N ATOM 899 CA ASN A 59 6.059 14.156 13.095 1.00 0.00 C ATOM 900 C ASN A 59 6.153 12.869 12.281 1.00 0.00 C ATOM 901 O ASN A 59 7.222 12.270 12.172 1.00 0.00 O ATOM 902 CB ASN A 59 5.648 13.834 14.533 1.00 0.00 C ATOM 903 CG ASN A 59 5.938 14.976 15.487 1.00 0.00 C ATOM 904 OD1 ASN A 59 5.089 15.835 15.722 1.00 0.00 O ATOM 905 ND2 ASN A 59 7.144 14.990 16.043 1.00 0.00 N ATOM 0 H ASN A 59 4.557 15.617 13.165 1.00 0.00 H new ATOM 0 HA ASN A 59 7.039 14.633 13.102 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.583 13.603 14.560 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.177 12.941 14.868 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.397 15.734 16.694 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.817 14.257 15.819 1.00 0.00 H new ATOM 912 N GLN A 60 5.027 12.452 11.711 1.00 0.00 N ATOM 913 CA GLN A 60 4.983 11.236 10.907 1.00 0.00 C ATOM 914 C GLN A 60 5.300 11.538 9.446 1.00 0.00 C ATOM 915 O GLN A 60 5.052 12.635 8.945 1.00 0.00 O ATOM 916 CB GLN A 60 3.608 10.576 11.017 1.00 0.00 C ATOM 917 CG GLN A 60 3.242 10.165 12.434 1.00 0.00 C ATOM 918 CD GLN A 60 1.823 9.644 12.542 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.878 10.374 11.963 1.00 0.00 O flip ATOM 920 NE2 GLN A 60 1.578 8.596 13.140 1.00 0.00 N flip ATOM 0 H GLN A 60 4.134 12.938 11.791 1.00 0.00 H new ATOM 0 HA GLN A 60 5.739 10.550 11.290 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.852 11.265 10.641 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.584 9.696 10.375 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.934 9.396 12.775 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.363 11.020 13.099 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.335 8.066 13.571 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.618 8.258 13.204 1.00 0.00 H new ATOM 929 N PRO A 61 5.863 10.544 8.744 1.00 0.00 N ATOM 930 CA PRO A 61 6.225 10.679 7.330 1.00 0.00 C ATOM 931 C PRO A 61 5.004 10.759 6.423 1.00 0.00 C ATOM 932 O PRO A 61 4.037 10.018 6.602 1.00 0.00 O ATOM 933 CB PRO A 61 7.021 9.403 7.044 1.00 0.00 C ATOM 934 CG PRO A 61 6.527 8.416 8.044 1.00 0.00 C ATOM 935 CD PRO A 61 6.188 9.210 9.276 1.00 0.00 C ATOM 0 HA PRO A 61 6.781 11.597 7.138 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.854 9.052 6.026 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.092 9.572 7.151 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.652 7.885 7.669 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.287 7.665 8.260 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.345 8.776 9.814 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.026 9.248 9.972 1.00 0.00 H new ATOM 943 N GLN A 62 5.052 11.664 5.450 1.00 0.00 N ATOM 944 CA GLN A 62 3.947 11.840 4.515 1.00 0.00 C ATOM 945 C GLN A 62 4.191 11.057 3.229 1.00 0.00 C ATOM 946 O GLN A 62 3.251 10.705 2.517 1.00 0.00 O ATOM 947 CB GLN A 62 3.754 13.322 4.195 1.00 0.00 C ATOM 948 CG GLN A 62 3.474 14.179 5.420 1.00 0.00 C ATOM 949 CD GLN A 62 2.525 13.509 6.395 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.509 12.940 5.997 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.854 13.574 7.680 1.00 0.00 N ATOM 0 H GLN A 62 5.844 12.286 5.289 1.00 0.00 H new ATOM 0 HA GLN A 62 3.042 11.456 4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.648 13.697 3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.928 13.428 3.491 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.413 14.400 5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.051 15.132 5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.706 14.056 7.964 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.254 13.141 8.383 1.00 0.00 H new ATOM 960 N ASP A 63 5.459 10.789 2.938 1.00 0.00 N ATOM 961 CA ASP A 63 5.829 10.047 1.738 1.00 0.00 C ATOM 962 C ASP A 63 5.805 8.545 1.999 1.00 0.00 C ATOM 963 O ASP A 63 5.852 7.742 1.067 1.00 0.00 O ATOM 964 CB ASP A 63 7.216 10.472 1.256 1.00 0.00 C ATOM 965 CG ASP A 63 8.327 9.683 1.923 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.587 9.920 3.121 1.00 0.00 O ATOM 967 OD2 ASP A 63 8.935 8.828 1.246 1.00 0.00 O ATOM 0 H ASP A 63 6.249 11.075 3.517 1.00 0.00 H new ATOM 0 HA ASP A 63 5.099 10.274 0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.278 10.340 0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.358 11.534 1.456 1.00 0.00 H new ATOM 972 N GLN A 64 5.731 8.171 3.273 1.00 0.00 N ATOM 973 CA GLN A 64 5.703 6.764 3.656 1.00 0.00 C ATOM 974 C GLN A 64 4.268 6.258 3.760 1.00 0.00 C ATOM 975 O GLN A 64 3.415 6.903 4.371 1.00 0.00 O ATOM 976 CB GLN A 64 6.427 6.562 4.988 1.00 0.00 C ATOM 977 CG GLN A 64 7.931 6.770 4.900 1.00 0.00 C ATOM 978 CD GLN A 64 8.678 5.494 4.569 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.563 5.047 3.323 1.00 0.00 O flip ATOM 980 NE2 GLN A 64 9.351 4.915 5.422 1.00 0.00 N flip ATOM 0 H GLN A 64 5.689 8.822 4.057 1.00 0.00 H new ATOM 0 HA GLN A 64 6.215 6.192 2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.015 7.252 5.724 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.229 5.554 5.351 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.146 7.520 4.139 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.296 7.164 5.849 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.412 5.294 6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.848 4.057 5.183 1.00 0.00 H new ATOM 989 N ILE A 65 4.010 5.100 3.162 1.00 0.00 N ATOM 990 CA ILE A 65 2.678 4.508 3.190 1.00 0.00 C ATOM 991 C ILE A 65 2.652 3.256 4.060 1.00 0.00 C ATOM 992 O ILE A 65 3.448 2.336 3.870 1.00 0.00 O ATOM 993 CB ILE A 65 2.196 4.143 1.773 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.346 5.342 0.835 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.749 3.674 1.812 1.00 0.00 C ATOM 996 CD1 ILE A 65 2.175 4.991 -0.626 1.00 0.00 C ATOM 0 H ILE A 65 4.705 4.554 2.653 1.00 0.00 H new ATOM 0 HA ILE A 65 2.008 5.256 3.613 1.00 0.00 H new ATOM 0 HB ILE A 65 2.813 3.329 1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.611 6.100 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.331 5.786 0.981 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.422 3.419 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.668 2.796 2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.119 4.471 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.294 5.889 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.927 4.256 -0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.180 4.575 -0.786 1.00 0.00 H new ATOM 1008 N THR A 66 1.730 3.228 5.018 1.00 0.00 N ATOM 1009 CA THR A 66 1.599 2.089 5.919 1.00 0.00 C ATOM 1010 C THR A 66 0.651 1.041 5.346 1.00 0.00 C ATOM 1011 O THR A 66 -0.419 1.371 4.836 1.00 0.00 O ATOM 1012 CB THR A 66 1.086 2.525 7.304 1.00 0.00 C ATOM 1013 OG1 THR A 66 1.518 3.861 7.588 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.587 1.584 8.389 1.00 0.00 C ATOM 0 H THR A 66 1.063 3.981 5.190 1.00 0.00 H new ATOM 0 HA THR A 66 2.593 1.656 6.027 1.00 0.00 H new ATOM 0 HB THR A 66 -0.003 2.490 7.290 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.186 4.132 8.470 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.211 1.913 9.358 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.232 0.573 8.186 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.677 1.590 8.401 1.00 0.00 H new ATOM 1022 N ILE A 67 1.052 -0.223 5.435 1.00 0.00 N ATOM 1023 CA ILE A 67 0.236 -1.319 4.926 1.00 0.00 C ATOM 1024 C ILE A 67 0.337 -2.544 5.829 1.00 0.00 C ATOM 1025 O ILE A 67 1.432 -3.040 6.101 1.00 0.00 O ATOM 1026 CB ILE A 67 0.651 -1.713 3.496 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.561 -0.503 2.564 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.222 -2.849 2.986 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.180 -0.741 1.204 1.00 0.00 C ATOM 0 H ILE A 67 1.935 -0.513 5.854 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.795 -0.965 4.911 1.00 0.00 H new ATOM 0 HB ILE A 67 1.685 -2.057 3.514 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.487 -0.231 2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.055 0.346 3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.083 -3.116 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.111 -3.715 3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.265 -2.531 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.080 0.158 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.236 -0.983 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.670 -1.570 0.712 1.00 0.00 H new ATOM 1041 N THR A 68 -0.811 -3.028 6.291 1.00 0.00 N ATOM 1042 CA THR A 68 -0.853 -4.196 7.162 1.00 0.00 C ATOM 1043 C THR A 68 -1.363 -5.422 6.415 1.00 0.00 C ATOM 1044 O THR A 68 -2.093 -5.303 5.432 1.00 0.00 O ATOM 1045 CB THR A 68 -1.748 -3.948 8.391 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.406 -2.700 9.003 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.600 -5.072 9.405 1.00 0.00 C ATOM 0 H THR A 68 -1.725 -2.629 6.076 1.00 0.00 H new ATOM 0 HA THR A 68 0.169 -4.378 7.496 1.00 0.00 H new ATOM 0 HB THR A 68 -2.785 -3.916 8.056 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.981 -2.549 9.782 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.242 -4.874 10.264 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.890 -6.017 8.946 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.562 -5.131 9.733 1.00 0.00 H new ATOM 1055 N GLY A 69 -0.974 -6.602 6.888 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.402 -7.834 6.252 1.00 0.00 C ATOM 1057 C GLY A 69 -0.275 -8.839 6.114 1.00 0.00 C ATOM 1058 O GLY A 69 0.851 -8.581 6.541 1.00 0.00 O ATOM 0 H GLY A 69 -0.370 -6.727 7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.210 -8.277 6.833 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.806 -7.608 5.265 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.577 -9.986 5.518 1.00 0.00 N ATOM 1063 CA TYR A 70 0.419 -11.034 5.328 1.00 0.00 C ATOM 1064 C TYR A 70 1.640 -10.497 4.588 1.00 0.00 C ATOM 1065 O TYR A 70 1.528 -9.979 3.477 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.186 -12.207 4.554 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.171 -13.021 5.362 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -2.468 -12.570 5.572 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -0.805 -14.241 5.916 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -3.372 -13.310 6.309 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -1.702 -14.990 6.654 1.00 0.00 C ATOM 1072 CZ TYR A 70 -2.984 -14.520 6.848 1.00 0.00 C ATOM 1073 OH TYR A 70 -3.880 -15.261 7.583 1.00 0.00 O ATOM 0 H TYR A 70 -1.504 -10.214 5.158 1.00 0.00 H new ATOM 0 HA TYR A 70 0.737 -11.381 6.311 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.687 -11.825 3.664 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.618 -12.859 4.212 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.775 -11.624 5.151 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.199 -14.611 5.767 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.376 -12.944 6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.401 -15.937 7.076 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.449 -16.086 7.890 1.00 0.00 H new ATOM 1083 N GLU A 71 2.806 -10.628 5.212 1.00 0.00 N ATOM 1084 CA GLU A 71 4.049 -10.156 4.613 1.00 0.00 C ATOM 1085 C GLU A 71 4.024 -10.333 3.098 1.00 0.00 C ATOM 1086 O GLU A 71 4.588 -9.527 2.357 1.00 0.00 O ATOM 1087 CB GLU A 71 5.244 -10.906 5.206 1.00 0.00 C ATOM 1088 CG GLU A 71 6.548 -10.657 4.465 1.00 0.00 C ATOM 1089 CD GLU A 71 7.711 -11.430 5.056 1.00 0.00 C ATOM 1090 OE1 GLU A 71 7.733 -12.671 4.911 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.598 -10.796 5.663 1.00 0.00 O ATOM 0 H GLU A 71 2.916 -11.057 6.131 1.00 0.00 H new ATOM 0 HA GLU A 71 4.149 -9.094 4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.366 -10.611 6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.031 -11.975 5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.426 -10.936 3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.776 -9.591 4.487 1.00 0.00 H new ATOM 1098 N LYS A 72 3.368 -11.394 2.643 1.00 0.00 N ATOM 1099 CA LYS A 72 3.268 -11.680 1.216 1.00 0.00 C ATOM 1100 C LYS A 72 2.200 -10.809 0.561 1.00 0.00 C ATOM 1101 O LYS A 72 2.507 -9.956 -0.270 1.00 0.00 O ATOM 1102 CB LYS A 72 2.943 -13.159 0.993 1.00 0.00 C ATOM 1103 CG LYS A 72 4.028 -14.101 1.483 1.00 0.00 C ATOM 1104 CD LYS A 72 5.187 -14.176 0.503 1.00 0.00 C ATOM 1105 CE LYS A 72 6.089 -15.365 0.796 1.00 0.00 C ATOM 1106 NZ LYS A 72 7.107 -15.047 1.834 1.00 0.00 N ATOM 0 H LYS A 72 2.897 -12.072 3.242 1.00 0.00 H new ATOM 0 HA LYS A 72 4.230 -11.453 0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.009 -13.398 1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.779 -13.330 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.392 -13.764 2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.608 -15.096 1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.801 -14.253 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.768 -13.255 0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.483 -16.207 1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.590 -15.675 -0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.702 -15.883 2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.702 -14.260 1.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.629 -14.776 2.717 1.00 0.00 H new ATOM 1120 N ASN A 73 0.947 -11.030 0.943 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.166 -10.265 0.392 1.00 0.00 C ATOM 1122 C ASN A 73 0.173 -8.778 0.334 1.00 0.00 C ATOM 1123 O ASN A 73 -0.158 -8.092 -0.633 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.425 -10.480 1.233 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.004 -11.871 1.063 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.315 -12.792 0.623 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.275 -12.030 1.412 1.00 0.00 N ATOM 0 H ASN A 73 0.676 -11.732 1.632 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.351 -10.618 -0.623 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.189 -10.314 2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.176 -9.741 0.954 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.719 -12.944 1.320 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.808 -11.238 1.772 1.00 0.00 H new ATOM 1134 N THR A 74 0.835 -8.287 1.377 1.00 0.00 N ATOM 1135 CA THR A 74 1.218 -6.882 1.446 1.00 0.00 C ATOM 1136 C THR A 74 1.972 -6.456 0.192 1.00 0.00 C ATOM 1137 O THR A 74 1.514 -5.591 -0.554 1.00 0.00 O ATOM 1138 CB THR A 74 2.095 -6.599 2.680 1.00 0.00 C ATOM 1139 OG1 THR A 74 3.267 -7.421 2.646 1.00 0.00 O ATOM 1140 CG2 THR A 74 1.324 -6.860 3.965 1.00 0.00 C ATOM 0 H THR A 74 1.117 -8.841 2.185 1.00 0.00 H new ATOM 0 HA THR A 74 0.296 -6.306 1.525 1.00 0.00 H new ATOM 0 HB THR A 74 2.386 -5.549 2.658 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.949 -7.043 3.239 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.965 -6.653 4.822 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.448 -6.212 4.002 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.006 -7.902 3.993 1.00 0.00 H new ATOM 1148 N GLU A 75 3.129 -7.070 -0.035 1.00 0.00 N ATOM 1149 CA GLU A 75 3.946 -6.752 -1.201 1.00 0.00 C ATOM 1150 C GLU A 75 3.085 -6.642 -2.456 1.00 0.00 C ATOM 1151 O GLU A 75 3.111 -5.628 -3.153 1.00 0.00 O ATOM 1152 CB GLU A 75 5.024 -7.820 -1.402 1.00 0.00 C ATOM 1153 CG GLU A 75 5.859 -8.083 -0.159 1.00 0.00 C ATOM 1154 CD GLU A 75 7.273 -8.518 -0.488 1.00 0.00 C ATOM 1155 OE1 GLU A 75 7.486 -9.728 -0.709 1.00 0.00 O ATOM 1156 OE2 GLU A 75 8.168 -7.647 -0.524 1.00 0.00 O ATOM 0 H GLU A 75 3.522 -7.790 0.572 1.00 0.00 H new ATOM 0 HA GLU A 75 4.425 -5.789 -1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.549 -8.750 -1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.683 -7.511 -2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.893 -7.179 0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.376 -8.854 0.442 1.00 0.00 H new ATOM 1163 N ALA A 76 2.321 -7.694 -2.736 1.00 0.00 N ATOM 1164 CA ALA A 76 1.451 -7.715 -3.905 1.00 0.00 C ATOM 1165 C ALA A 76 0.672 -6.411 -4.033 1.00 0.00 C ATOM 1166 O ALA A 76 0.340 -5.980 -5.138 1.00 0.00 O ATOM 1167 CB ALA A 76 0.496 -8.898 -3.830 1.00 0.00 C ATOM 0 H ALA A 76 2.288 -8.542 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 76 2.076 -7.822 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.148 -8.902 -4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.068 -9.825 -3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.116 -8.815 -2.932 1.00 0.00 H new ATOM 1173 N ALA A 77 0.381 -5.786 -2.896 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.358 -4.529 -2.882 1.00 0.00 C ATOM 1175 C ALA A 77 0.587 -3.335 -2.960 1.00 0.00 C ATOM 1176 O ALA A 77 0.330 -2.374 -3.685 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.223 -4.441 -1.634 1.00 0.00 C ATOM 0 H ALA A 77 0.646 -6.130 -1.973 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.003 -4.505 -3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.769 -3.498 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.930 -5.270 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.590 -4.492 -0.748 1.00 0.00 H new ATOM 1183 N ARG A 78 1.680 -3.403 -2.209 1.00 0.00 N ATOM 1184 CA ARG A 78 2.664 -2.326 -2.192 1.00 0.00 C ATOM 1185 C ARG A 78 3.266 -2.117 -3.578 1.00 0.00 C ATOM 1186 O ARG A 78 3.774 -1.041 -3.889 1.00 0.00 O ATOM 1187 CB ARG A 78 3.772 -2.634 -1.183 1.00 0.00 C ATOM 1188 CG ARG A 78 4.932 -3.418 -1.774 1.00 0.00 C ATOM 1189 CD ARG A 78 6.004 -2.492 -2.329 1.00 0.00 C ATOM 1190 NE ARG A 78 6.736 -3.103 -3.435 1.00 0.00 N ATOM 1191 CZ ARG A 78 7.967 -2.749 -3.786 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.601 -1.794 -3.120 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.567 -3.353 -4.804 1.00 0.00 N ATOM 0 H ARG A 78 1.908 -4.192 -1.604 1.00 0.00 H new ATOM 0 HA ARG A 78 2.156 -1.409 -1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.149 -1.697 -0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.349 -3.198 -0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.366 -4.061 -1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.566 -4.069 -2.567 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.542 -1.565 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.702 -2.228 -1.534 1.00 0.00 H new ATOM 0 HE ARG A 78 6.277 -3.842 -3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.143 -1.329 -2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.546 -1.524 -3.392 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.083 -4.089 -5.317 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.512 -3.081 -5.073 1.00 0.00 H new ATOM 1207 N ASP A 79 3.206 -3.155 -4.405 1.00 0.00 N ATOM 1208 CA ASP A 79 3.745 -3.086 -5.758 1.00 0.00 C ATOM 1209 C ASP A 79 2.920 -2.138 -6.624 1.00 0.00 C ATOM 1210 O ASP A 79 3.461 -1.421 -7.465 1.00 0.00 O ATOM 1211 CB ASP A 79 3.774 -4.479 -6.390 1.00 0.00 C ATOM 1212 CG ASP A 79 4.577 -4.514 -7.675 1.00 0.00 C ATOM 1213 OD1 ASP A 79 4.244 -3.748 -8.605 1.00 0.00 O ATOM 1214 OD2 ASP A 79 5.539 -5.307 -7.753 1.00 0.00 O ATOM 0 H ASP A 79 2.790 -4.054 -4.162 1.00 0.00 H new ATOM 0 HA ASP A 79 4.763 -2.701 -5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.199 -5.188 -5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.754 -4.804 -6.593 1.00 0.00 H new ATOM 1219 N ALA A 80 1.608 -2.142 -6.413 1.00 0.00 N ATOM 1220 CA ALA A 80 0.710 -1.282 -7.173 1.00 0.00 C ATOM 1221 C ALA A 80 1.030 0.190 -6.938 1.00 0.00 C ATOM 1222 O ALA A 80 1.306 0.932 -7.880 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.737 -1.576 -6.806 1.00 0.00 C ATOM 0 H ALA A 80 1.144 -2.731 -5.722 1.00 0.00 H new ATOM 0 HA ALA A 80 0.854 -1.492 -8.233 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.397 -0.927 -7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.965 -2.618 -7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.886 -1.395 -5.742 1.00 0.00 H new ATOM 1229 N ILE A 81 0.988 0.606 -5.677 1.00 0.00 N ATOM 1230 CA ILE A 81 1.273 1.989 -5.318 1.00 0.00 C ATOM 1231 C ILE A 81 2.430 2.543 -6.145 1.00 0.00 C ATOM 1232 O ILE A 81 2.419 3.708 -6.545 1.00 0.00 O ATOM 1233 CB ILE A 81 1.613 2.126 -3.823 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.449 1.627 -2.965 1.00 0.00 C ATOM 1235 CG2 ILE A 81 1.947 3.571 -3.485 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.763 1.585 -1.486 1.00 0.00 C ATOM 0 H ILE A 81 0.759 0.004 -4.886 1.00 0.00 H new ATOM 0 HA ILE A 81 0.370 2.562 -5.529 1.00 0.00 H new ATOM 0 HB ILE A 81 2.488 1.512 -3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.414 2.273 -3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.166 0.628 -3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.185 3.651 -2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.805 3.894 -4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.091 4.205 -3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.107 1.222 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.606 0.916 -1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.017 2.587 -1.139 1.00 0.00 H new ATOM 1248 N LEU A 82 3.425 1.701 -6.397 1.00 0.00 N ATOM 1249 CA LEU A 82 4.589 2.105 -7.177 1.00 0.00 C ATOM 1250 C LEU A 82 4.308 1.997 -8.673 1.00 0.00 C ATOM 1251 O LEU A 82 4.626 2.904 -9.441 1.00 0.00 O ATOM 1252 CB LEU A 82 5.798 1.242 -6.811 1.00 0.00 C ATOM 1253 CG LEU A 82 6.063 1.056 -5.316 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.107 -0.026 -5.090 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.506 2.368 -4.687 1.00 0.00 C ATOM 0 H LEU A 82 3.449 0.734 -6.073 1.00 0.00 H new ATOM 0 HA LEU A 82 4.808 3.146 -6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.666 0.258 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.685 1.684 -7.265 1.00 0.00 H new ATOM 0 HG LEU A 82 5.135 0.742 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.283 -0.144 -4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.750 -0.968 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.038 0.258 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.690 2.218 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.421 2.712 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.724 3.116 -4.818 1.00 0.00 H new ATOM 1267 N ARG A 83 3.706 0.883 -9.077 1.00 0.00 N ATOM 1268 CA ARG A 83 3.379 0.657 -10.480 1.00 0.00 C ATOM 1269 C ARG A 83 2.664 1.867 -11.073 1.00 0.00 C ATOM 1270 O ARG A 83 2.737 2.115 -12.277 1.00 0.00 O ATOM 1271 CB ARG A 83 2.504 -0.588 -10.628 1.00 0.00 C ATOM 1272 CG ARG A 83 2.693 -1.312 -11.951 1.00 0.00 C ATOM 1273 CD ARG A 83 2.268 -2.769 -11.855 1.00 0.00 C ATOM 1274 NE ARG A 83 3.373 -3.637 -11.454 1.00 0.00 N ATOM 1275 CZ ARG A 83 3.402 -4.944 -11.688 1.00 0.00 C ATOM 1276 NH1 ARG A 83 2.395 -5.530 -12.319 1.00 0.00 N ATOM 1277 NH2 ARG A 83 4.444 -5.666 -11.292 1.00 0.00 N ATOM 0 H ARG A 83 3.435 0.123 -8.453 1.00 0.00 H new ATOM 0 HA ARG A 83 4.311 0.504 -11.024 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.725 -1.276 -9.812 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.458 -0.300 -10.527 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.112 -0.813 -12.726 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.739 -1.256 -12.251 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.454 -2.863 -11.136 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.880 -3.098 -12.819 1.00 0.00 H new ATOM 0 HE ARG A 83 4.165 -3.216 -10.968 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.595 -4.977 -12.626 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.420 -6.534 -12.497 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.222 -5.217 -10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.467 -6.670 -11.471 1.00 0.00 H new ATOM 1291 N ILE A 84 1.973 2.617 -10.221 1.00 0.00 N ATOM 1292 CA ILE A 84 1.246 3.801 -10.661 1.00 0.00 C ATOM 1293 C ILE A 84 2.170 5.009 -10.759 1.00 0.00 C ATOM 1294 O ILE A 84 2.437 5.512 -11.851 1.00 0.00 O ATOM 1295 CB ILE A 84 0.083 4.134 -9.707 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.774 2.891 -9.458 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.762 5.263 -10.277 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.494 2.910 -8.129 1.00 0.00 C ATOM 0 H ILE A 84 1.901 2.425 -9.222 1.00 0.00 H new ATOM 0 HA ILE A 84 0.843 3.575 -11.648 1.00 0.00 H new ATOM 0 HB ILE A 84 0.497 4.462 -8.754 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.508 2.800 -10.258 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.139 2.006 -9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.580 5.487 -9.592 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.143 6.151 -10.406 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.169 4.961 -11.242 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.082 1.998 -8.021 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.765 2.970 -7.321 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.155 3.775 -8.086 1.00 0.00 H new ATOM 1310 N VAL A 85 2.658 5.470 -9.612 1.00 0.00 N ATOM 1311 CA VAL A 85 3.556 6.617 -9.568 1.00 0.00 C ATOM 1312 C VAL A 85 4.472 6.645 -10.786 1.00 0.00 C ATOM 1313 O VAL A 85 4.768 7.708 -11.329 1.00 0.00 O ATOM 1314 CB VAL A 85 4.417 6.608 -8.292 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.550 7.617 -8.404 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.559 6.892 -7.069 1.00 0.00 C ATOM 0 H VAL A 85 2.446 5.066 -8.700 1.00 0.00 H new ATOM 0 HA VAL A 85 2.929 7.509 -9.568 1.00 0.00 H new ATOM 0 HB VAL A 85 4.856 5.617 -8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.147 7.596 -7.493 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.180 7.364 -9.257 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.136 8.615 -8.543 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.184 6.882 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.090 7.871 -7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.787 6.127 -6.981 1.00 0.00 H new ATOM 1326 N GLY A 86 4.918 5.466 -11.212 1.00 0.00 N ATOM 1327 CA GLY A 86 5.796 5.378 -12.363 1.00 0.00 C ATOM 1328 C GLY A 86 5.191 6.003 -13.604 1.00 0.00 C ATOM 1329 O GLY A 86 5.839 6.798 -14.284 1.00 0.00 O ATOM 0 H GLY A 86 4.686 4.571 -10.780 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.740 5.873 -12.134 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.025 4.331 -12.562 1.00 0.00 H new ATOM 1333 N GLU A 87 3.946 5.641 -13.900 1.00 0.00 N ATOM 1334 CA GLU A 87 3.255 6.173 -15.069 1.00 0.00 C ATOM 1335 C GLU A 87 2.838 7.622 -14.843 1.00 0.00 C ATOM 1336 O GLU A 87 2.953 8.461 -15.738 1.00 0.00 O ATOM 1337 CB GLU A 87 2.026 5.321 -15.392 1.00 0.00 C ATOM 1338 CG GLU A 87 0.764 5.778 -14.681 1.00 0.00 C ATOM 1339 CD GLU A 87 -0.462 4.992 -15.103 1.00 0.00 C ATOM 1340 OE1 GLU A 87 -0.410 3.744 -15.064 1.00 0.00 O ATOM 1341 OE2 GLU A 87 -1.474 5.623 -15.472 1.00 0.00 O ATOM 0 H GLU A 87 3.396 4.983 -13.347 1.00 0.00 H new ATOM 0 HA GLU A 87 3.944 6.140 -15.913 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.854 5.340 -16.468 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.231 4.285 -15.121 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.902 5.678 -13.604 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.600 6.836 -14.884 1.00 0.00 H new ATOM 1348 N LEU A 88 2.351 7.911 -13.640 1.00 0.00 N ATOM 1349 CA LEU A 88 1.914 9.260 -13.295 1.00 0.00 C ATOM 1350 C LEU A 88 2.997 10.283 -13.624 1.00 0.00 C ATOM 1351 O LEU A 88 2.751 11.250 -14.345 1.00 0.00 O ATOM 1352 CB LEU A 88 1.558 9.336 -11.809 1.00 0.00 C ATOM 1353 CG LEU A 88 0.653 8.225 -11.278 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.450 8.374 -9.778 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.685 8.235 -12.002 1.00 0.00 C ATOM 0 H LEU A 88 2.249 7.230 -12.888 1.00 0.00 H new ATOM 0 HA LEU A 88 1.029 9.493 -13.887 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.484 9.329 -11.233 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.073 10.294 -11.621 1.00 0.00 H new ATOM 0 HG LEU A 88 1.138 7.267 -11.466 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.197 7.574 -9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.414 8.316 -9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.013 9.338 -9.567 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.316 7.437 -11.611 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.176 9.196 -11.846 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.523 8.079 -13.069 1.00 0.00 H new