USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 539 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 43 LYS NZ :NH3+ -142:sc= 0.247 (180deg=-0.931) USER MOD Set 1.2: A 63 GLN : amide:sc= -1.57 K(o=-1.3,f=-6.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.272 X(o=0.27,f=-0.18) USER MOD Single : A 24 SER OG : rot 159:sc= -0.942 USER MOD Single : A 27 SER OG : rot -26:sc= -0.498 USER MOD Single : A 37 GLN : amide:sc= -0.506 K(o=-0.51,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.6) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -137:sc= 0 (180deg=-0.00314) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 67 GLN : amide:sc= -0.92 K(o=-0.92,f=0) USER MOD Single : A 71 GLN : amide:sc= -7.68! K(o=-7.7!,f=-1.9) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -6:sc= -8.46! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -132:sc= -0.278 (180deg=-1.02) USER MOD Single : A 92 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.7) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.577 7.864 -5.695 1.00 0.00 N ATOM 168 CA GLY A 15 -3.553 8.031 -4.254 1.00 0.00 C ATOM 169 C GLY A 15 -3.707 6.716 -3.516 1.00 0.00 C ATOM 170 O GLY A 15 -4.468 6.621 -2.552 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.614 8.501 -3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.354 8.707 -3.956 1.00 0.00 H new ATOM 174 N LYS A 16 -2.984 5.697 -3.968 1.00 0.00 N ATOM 175 CA LYS A 16 -3.043 4.380 -3.345 1.00 0.00 C ATOM 176 C LYS A 16 -1.673 3.965 -2.818 1.00 0.00 C ATOM 177 O LYS A 16 -0.717 3.829 -3.582 1.00 0.00 O ATOM 178 CB LYS A 16 -3.551 3.341 -4.347 1.00 0.00 C ATOM 179 CG LYS A 16 -4.583 3.888 -5.319 1.00 0.00 C ATOM 180 CD LYS A 16 -4.507 3.187 -6.665 1.00 0.00 C ATOM 181 CE LYS A 16 -5.300 3.932 -7.727 1.00 0.00 C ATOM 182 NZ LYS A 16 -4.507 5.034 -8.340 1.00 0.00 N ATOM 0 H LYS A 16 -2.350 5.758 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.735 4.435 -2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.705 2.948 -4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.986 2.504 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.581 3.764 -4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.425 4.958 -5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.466 3.107 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.890 2.171 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.612 3.234 -8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.207 4.341 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.082 5.517 -9.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.230 5.714 -7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.654 4.641 -8.786 1.00 0.00 H new ATOM 196 N THR A 17 -1.585 3.764 -1.506 1.00 0.00 N ATOM 197 CA THR A 17 -0.332 3.365 -0.877 1.00 0.00 C ATOM 198 C THR A 17 -0.571 2.328 0.214 1.00 0.00 C ATOM 199 O THR A 17 -1.693 2.166 0.696 1.00 0.00 O ATOM 200 CB THR A 17 0.402 4.574 -0.269 1.00 0.00 C ATOM 201 OG1 THR A 17 0.859 5.444 -1.310 1.00 0.00 O ATOM 202 CG2 THR A 17 1.583 4.122 0.577 1.00 0.00 C ATOM 0 H THR A 17 -2.366 3.871 -0.859 1.00 0.00 H new ATOM 0 HA THR A 17 0.289 2.929 -1.659 1.00 0.00 H new ATOM 0 HB THR A 17 -0.298 5.111 0.371 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.323 6.211 -0.915 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.086 4.994 0.996 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.228 3.484 1.387 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.283 3.563 -0.044 1.00 0.00 H new ATOM 210 N VAL A 18 0.490 1.627 0.602 1.00 0.00 N ATOM 211 CA VAL A 18 0.395 0.607 1.639 1.00 0.00 C ATOM 212 C VAL A 18 1.755 0.345 2.277 1.00 0.00 C ATOM 213 O VAL A 18 2.697 -0.079 1.607 1.00 0.00 O ATOM 214 CB VAL A 18 -0.159 -0.715 1.076 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.458 -0.473 0.323 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.871 -1.385 0.178 1.00 0.00 C ATOM 0 H VAL A 18 1.425 1.747 0.213 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.291 0.987 2.396 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.370 -1.384 1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.834 -1.419 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.195 -0.041 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.277 0.214 -0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.463 -2.318 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.116 -0.722 -0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.773 -1.596 0.753 1.00 0.00 H new ATOM 226 N PHE A 19 1.850 0.599 3.578 1.00 0.00 N ATOM 227 CA PHE A 19 3.095 0.390 4.308 1.00 0.00 C ATOM 228 C PHE A 19 2.958 -0.762 5.299 1.00 0.00 C ATOM 229 O PHE A 19 2.080 -0.752 6.162 1.00 0.00 O ATOM 230 CB PHE A 19 3.497 1.668 5.048 1.00 0.00 C ATOM 231 CG PHE A 19 4.789 1.542 5.803 1.00 0.00 C ATOM 232 CD1 PHE A 19 5.958 1.190 5.149 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.834 1.776 7.168 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.149 1.074 5.841 1.00 0.00 C ATOM 235 CE2 PHE A 19 6.022 1.662 7.866 1.00 0.00 C ATOM 236 CZ PHE A 19 7.181 1.309 7.201 1.00 0.00 C ATOM 0 H PHE A 19 1.080 0.950 4.148 1.00 0.00 H new ATOM 0 HA PHE A 19 3.872 0.135 3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.584 2.483 4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.704 1.940 5.744 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.939 1.004 4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.931 2.051 7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.053 0.800 5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.044 1.849 8.930 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.110 1.217 7.744 1.00 0.00 H new ATOM 246 N ILE A 20 3.832 -1.754 5.167 1.00 0.00 N ATOM 247 CA ILE A 20 3.810 -2.914 6.050 1.00 0.00 C ATOM 248 C ILE A 20 4.842 -2.777 7.164 1.00 0.00 C ATOM 249 O ILE A 20 5.987 -2.396 6.920 1.00 0.00 O ATOM 250 CB ILE A 20 4.079 -4.217 5.274 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.282 -4.233 3.968 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.727 -5.425 6.130 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.027 -3.630 2.798 1.00 0.00 C ATOM 0 H ILE A 20 4.564 -1.778 4.457 1.00 0.00 H new ATOM 0 HA ILE A 20 2.812 -2.959 6.486 1.00 0.00 H new ATOM 0 HB ILE A 20 5.140 -4.265 5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.015 -5.262 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.349 -3.688 4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.922 -6.338 5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.334 -5.419 7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.672 -5.384 6.401 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.402 -3.675 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.270 -2.591 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.947 -4.189 2.625 1.00 0.00 H new ATOM 265 N ARG A 21 4.429 -3.091 8.388 1.00 0.00 N ATOM 266 CA ARG A 21 5.318 -3.003 9.540 1.00 0.00 C ATOM 267 C ARG A 21 5.441 -4.355 10.236 1.00 0.00 C ATOM 268 O ARG A 21 4.510 -5.159 10.221 1.00 0.00 O ATOM 269 CB ARG A 21 4.804 -1.954 10.528 1.00 0.00 C ATOM 270 CG ARG A 21 5.348 -0.558 10.272 1.00 0.00 C ATOM 271 CD ARG A 21 4.743 0.459 11.227 1.00 0.00 C ATOM 272 NE ARG A 21 5.384 0.426 12.539 1.00 0.00 N ATOM 273 CZ ARG A 21 6.638 0.809 12.754 1.00 0.00 C ATOM 274 NH1 ARG A 21 7.381 1.252 11.750 1.00 0.00 N ATOM 275 NH2 ARG A 21 7.150 0.750 13.977 1.00 0.00 N ATOM 0 H ARG A 21 3.485 -3.408 8.607 1.00 0.00 H new ATOM 0 HA ARG A 21 6.305 -2.705 9.185 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.715 -1.925 10.480 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.071 -2.259 11.540 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.432 -0.563 10.383 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.134 -0.266 9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.839 1.458 10.802 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.677 0.262 11.339 1.00 0.00 H new ATOM 0 HE ARG A 21 4.839 0.091 13.333 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.991 1.300 10.809 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.343 1.545 11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.581 0.411 14.752 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.113 1.044 14.142 1.00 0.00 H new ATOM 289 N ASN A 22 6.597 -4.599 10.844 1.00 0.00 N ATOM 290 CA ASN A 22 6.843 -5.854 11.544 1.00 0.00 C ATOM 291 C ASN A 22 6.998 -7.007 10.556 1.00 0.00 C ATOM 292 O ASN A 22 6.360 -8.050 10.698 1.00 0.00 O ATOM 293 CB ASN A 22 5.701 -6.152 12.517 1.00 0.00 C ATOM 294 CG ASN A 22 6.096 -7.154 13.584 1.00 0.00 C ATOM 295 OD1 ASN A 22 6.592 -6.782 14.648 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.878 -8.434 13.304 1.00 0.00 N ATOM 0 H ASN A 22 7.378 -3.944 10.866 1.00 0.00 H new ATOM 0 HA ASN A 22 7.772 -5.752 12.105 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.382 -5.225 12.993 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.845 -6.535 11.962 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.124 -9.154 13.984 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.465 -8.697 12.409 1.00 0.00 H new ATOM 303 N LEU A 23 7.851 -6.811 9.556 1.00 0.00 N ATOM 304 CA LEU A 23 8.091 -7.834 8.545 1.00 0.00 C ATOM 305 C LEU A 23 8.998 -8.934 9.087 1.00 0.00 C ATOM 306 O LEU A 23 9.638 -8.768 10.125 1.00 0.00 O ATOM 307 CB LEU A 23 8.719 -7.208 7.298 1.00 0.00 C ATOM 308 CG LEU A 23 7.765 -6.446 6.377 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.546 -5.635 5.354 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.811 -7.407 5.683 1.00 0.00 C ATOM 0 H LEU A 23 8.387 -5.953 9.424 1.00 0.00 H new ATOM 0 HA LEU A 23 7.132 -8.278 8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.507 -6.526 7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.196 -7.999 6.720 1.00 0.00 H new ATOM 0 HG LEU A 23 7.177 -5.758 6.984 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.851 -5.099 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.187 -4.920 5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.160 -6.304 4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.140 -6.847 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.382 -8.120 5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.227 -7.943 6.431 1.00 0.00 H new ATOM 322 N SER A 24 9.050 -10.055 8.376 1.00 0.00 N ATOM 323 CA SER A 24 9.878 -11.183 8.786 1.00 0.00 C ATOM 324 C SER A 24 11.191 -11.204 8.011 1.00 0.00 C ATOM 325 O SER A 24 11.235 -10.857 6.830 1.00 0.00 O ATOM 326 CB SER A 24 9.126 -12.499 8.573 1.00 0.00 C ATOM 327 OG SER A 24 7.741 -12.342 8.828 1.00 0.00 O ATOM 0 H SER A 24 8.528 -10.207 7.513 1.00 0.00 H new ATOM 0 HA SER A 24 10.104 -11.069 9.846 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.274 -12.844 7.550 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.535 -13.266 9.230 1.00 0.00 H new ATOM 0 HG SER A 24 7.242 -13.052 8.373 1.00 0.00 H new ATOM 333 N PHE A 25 12.262 -11.613 8.684 1.00 0.00 N ATOM 334 CA PHE A 25 13.578 -11.679 8.060 1.00 0.00 C ATOM 335 C PHE A 25 13.578 -12.659 6.891 1.00 0.00 C ATOM 336 O PHE A 25 14.478 -12.641 6.051 1.00 0.00 O ATOM 337 CB PHE A 25 14.633 -12.093 9.088 1.00 0.00 C ATOM 338 CG PHE A 25 14.803 -11.104 10.205 1.00 0.00 C ATOM 339 CD1 PHE A 25 15.280 -9.828 9.952 1.00 0.00 C ATOM 340 CD2 PHE A 25 14.485 -11.449 11.508 1.00 0.00 C ATOM 341 CE1 PHE A 25 15.438 -8.916 10.978 1.00 0.00 C ATOM 342 CE2 PHE A 25 14.641 -10.541 12.539 1.00 0.00 C ATOM 343 CZ PHE A 25 15.117 -9.273 12.273 1.00 0.00 C ATOM 0 H PHE A 25 12.244 -11.904 9.662 1.00 0.00 H new ATOM 0 HA PHE A 25 13.822 -10.687 7.679 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.359 -13.060 9.509 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.589 -12.225 8.582 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.531 -9.543 8.941 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.111 -12.439 11.721 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.812 -7.925 10.767 1.00 0.00 H new ATOM 0 HE2 PHE A 25 14.391 -10.823 13.551 1.00 0.00 H new ATOM 0 HZ PHE A 25 15.238 -8.561 13.076 1.00 0.00 H new ATOM 353 N ASP A 26 12.562 -13.514 6.844 1.00 0.00 N ATOM 354 CA ASP A 26 12.443 -14.502 5.778 1.00 0.00 C ATOM 355 C ASP A 26 11.660 -13.936 4.598 1.00 0.00 C ATOM 356 O ASP A 26 11.833 -14.372 3.459 1.00 0.00 O ATOM 357 CB ASP A 26 11.759 -15.767 6.301 1.00 0.00 C ATOM 358 CG ASP A 26 11.575 -16.814 5.220 1.00 0.00 C ATOM 359 OD1 ASP A 26 10.912 -16.510 4.207 1.00 0.00 O ATOM 360 OD2 ASP A 26 12.094 -17.938 5.388 1.00 0.00 O ATOM 0 H ASP A 26 11.809 -13.543 7.532 1.00 0.00 H new ATOM 0 HA ASP A 26 13.447 -14.755 5.437 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.352 -16.188 7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.787 -15.505 6.718 1.00 0.00 H new ATOM 365 N SER A 27 10.798 -12.964 4.877 1.00 0.00 N ATOM 366 CA SER A 27 9.984 -12.342 3.839 1.00 0.00 C ATOM 367 C SER A 27 10.864 -11.661 2.795 1.00 0.00 C ATOM 368 O SER A 27 11.971 -11.217 3.096 1.00 0.00 O ATOM 369 CB SER A 27 9.024 -11.324 4.456 1.00 0.00 C ATOM 370 OG SER A 27 8.290 -11.897 5.524 1.00 0.00 O ATOM 0 H SER A 27 10.645 -12.590 5.813 1.00 0.00 H new ATOM 0 HA SER A 27 9.405 -13.124 3.347 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.586 -10.463 4.818 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.337 -10.959 3.693 1.00 0.00 H new ATOM 0 HG SER A 27 8.228 -12.866 5.395 1.00 0.00 H new ATOM 376 N GLU A 28 10.361 -11.582 1.567 1.00 0.00 N ATOM 377 CA GLU A 28 11.101 -10.956 0.478 1.00 0.00 C ATOM 378 C GLU A 28 10.167 -10.158 -0.427 1.00 0.00 C ATOM 379 O GLU A 28 9.006 -10.521 -0.611 1.00 0.00 O ATOM 380 CB GLU A 28 11.841 -12.015 -0.342 1.00 0.00 C ATOM 381 CG GLU A 28 12.678 -12.962 0.502 1.00 0.00 C ATOM 382 CD GLU A 28 13.879 -13.505 -0.249 1.00 0.00 C ATOM 383 OE1 GLU A 28 13.719 -14.506 -0.978 1.00 0.00 O ATOM 384 OE2 GLU A 28 14.978 -12.929 -0.106 1.00 0.00 O ATOM 0 H GLU A 28 9.445 -11.943 1.302 1.00 0.00 H new ATOM 0 HA GLU A 28 11.828 -10.272 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.115 -12.595 -0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.488 -11.517 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.019 -12.441 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.056 -13.793 0.835 1.00 0.00 H new ATOM 391 N GLU A 29 10.683 -9.069 -0.989 1.00 0.00 N ATOM 392 CA GLU A 29 9.894 -8.219 -1.873 1.00 0.00 C ATOM 393 C GLU A 29 8.911 -9.051 -2.691 1.00 0.00 C ATOM 394 O GLU A 29 7.768 -8.647 -2.903 1.00 0.00 O ATOM 395 CB GLU A 29 10.811 -7.428 -2.808 1.00 0.00 C ATOM 396 CG GLU A 29 10.196 -6.132 -3.310 1.00 0.00 C ATOM 397 CD GLU A 29 11.202 -5.246 -4.020 1.00 0.00 C ATOM 398 OE1 GLU A 29 12.010 -4.593 -3.328 1.00 0.00 O ATOM 399 OE2 GLU A 29 11.179 -5.207 -5.268 1.00 0.00 O ATOM 0 H GLU A 29 11.643 -8.755 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 29 9.328 -7.522 -1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.740 -7.201 -2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.070 -8.052 -3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.376 -6.363 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.768 -5.587 -2.468 1.00 0.00 H new ATOM 406 N GLU A 30 9.365 -10.213 -3.149 1.00 0.00 N ATOM 407 CA GLU A 30 8.525 -11.101 -3.945 1.00 0.00 C ATOM 408 C GLU A 30 7.359 -11.634 -3.118 1.00 0.00 C ATOM 409 O GLU A 30 6.197 -11.355 -3.411 1.00 0.00 O ATOM 410 CB GLU A 30 9.351 -12.266 -4.493 1.00 0.00 C ATOM 411 CG GLU A 30 8.737 -12.926 -5.716 1.00 0.00 C ATOM 412 CD GLU A 30 9.379 -14.261 -6.042 1.00 0.00 C ATOM 413 OE1 GLU A 30 10.445 -14.265 -6.692 1.00 0.00 O ATOM 414 OE2 GLU A 30 8.814 -15.302 -5.647 1.00 0.00 O ATOM 0 H GLU A 30 10.309 -10.562 -2.983 1.00 0.00 H new ATOM 0 HA GLU A 30 8.123 -10.527 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.348 -11.906 -4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.473 -13.014 -3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.670 -13.071 -5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.837 -12.260 -6.573 1.00 0.00 H new ATOM 421 N ALA A 31 7.679 -12.404 -2.083 1.00 0.00 N ATOM 422 CA ALA A 31 6.660 -12.976 -1.212 1.00 0.00 C ATOM 423 C ALA A 31 5.719 -11.897 -0.686 1.00 0.00 C ATOM 424 O ALA A 31 4.498 -12.052 -0.723 1.00 0.00 O ATOM 425 CB ALA A 31 7.311 -13.720 -0.056 1.00 0.00 C ATOM 0 H ALA A 31 8.636 -12.646 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 31 6.071 -13.681 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.538 -14.142 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.937 -14.523 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.925 -13.029 0.521 1.00 0.00 H new ATOM 431 N LEU A 32 6.294 -10.805 -0.196 1.00 0.00 N ATOM 432 CA LEU A 32 5.506 -9.699 0.339 1.00 0.00 C ATOM 433 C LEU A 32 4.403 -9.296 -0.634 1.00 0.00 C ATOM 434 O LEU A 32 3.227 -9.265 -0.276 1.00 0.00 O ATOM 435 CB LEU A 32 6.408 -8.499 0.631 1.00 0.00 C ATOM 436 CG LEU A 32 5.739 -7.307 1.316 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.773 -6.259 1.695 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.671 -6.704 0.415 1.00 0.00 C ATOM 0 H LEU A 32 7.303 -10.661 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 32 5.042 -10.031 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.235 -8.835 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.839 -8.157 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 32 5.259 -7.660 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.278 -5.418 2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.501 -6.696 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.283 -5.910 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.206 -5.857 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.128 -6.366 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.913 -7.456 0.195 1.00 0.00 H new ATOM 450 N GLY A 33 4.792 -8.991 -1.869 1.00 0.00 N ATOM 451 CA GLY A 33 3.824 -8.596 -2.875 1.00 0.00 C ATOM 452 C GLY A 33 2.828 -9.696 -3.184 1.00 0.00 C ATOM 453 O GLY A 33 1.618 -9.490 -3.093 1.00 0.00 O ATOM 0 H GLY A 33 5.760 -9.011 -2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.288 -7.711 -2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.348 -8.317 -3.789 1.00 0.00 H new ATOM 457 N GLU A 34 3.337 -10.868 -3.553 1.00 0.00 N ATOM 458 CA GLU A 34 2.483 -12.003 -3.879 1.00 0.00 C ATOM 459 C GLU A 34 1.336 -12.126 -2.879 1.00 0.00 C ATOM 460 O GLU A 34 0.283 -12.683 -3.190 1.00 0.00 O ATOM 461 CB GLU A 34 3.300 -13.297 -3.896 1.00 0.00 C ATOM 462 CG GLU A 34 4.017 -13.546 -5.212 1.00 0.00 C ATOM 463 CD GLU A 34 3.065 -13.907 -6.336 1.00 0.00 C ATOM 464 OE1 GLU A 34 2.114 -14.676 -6.085 1.00 0.00 O ATOM 465 OE2 GLU A 34 3.272 -13.420 -7.467 1.00 0.00 O ATOM 0 H GLU A 34 4.336 -11.055 -3.633 1.00 0.00 H new ATOM 0 HA GLU A 34 2.062 -11.835 -4.870 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.035 -13.263 -3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.638 -14.138 -3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.579 -12.654 -5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.740 -14.351 -5.081 1.00 0.00 H new ATOM 472 N VAL A 35 1.549 -11.601 -1.676 1.00 0.00 N ATOM 473 CA VAL A 35 0.534 -11.651 -0.630 1.00 0.00 C ATOM 474 C VAL A 35 -0.539 -10.592 -0.855 1.00 0.00 C ATOM 475 O VAL A 35 -1.724 -10.907 -0.968 1.00 0.00 O ATOM 476 CB VAL A 35 1.156 -11.449 0.764 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.069 -11.323 1.820 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.103 -12.592 1.096 1.00 0.00 C ATOM 0 H VAL A 35 2.415 -11.137 -1.402 1.00 0.00 H new ATOM 0 HA VAL A 35 0.079 -12.640 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 35 1.731 -10.523 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.527 -11.181 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.566 -10.467 1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.535 -12.230 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.533 -12.432 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.554 -13.534 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.901 -12.630 0.355 1.00 0.00 H new ATOM 488 N LEU A 36 -0.117 -9.334 -0.918 1.00 0.00 N ATOM 489 CA LEU A 36 -1.042 -8.226 -1.130 1.00 0.00 C ATOM 490 C LEU A 36 -1.760 -8.365 -2.469 1.00 0.00 C ATOM 491 O LEU A 36 -2.911 -7.955 -2.610 1.00 0.00 O ATOM 492 CB LEU A 36 -0.293 -6.893 -1.076 1.00 0.00 C ATOM 493 CG LEU A 36 0.589 -6.669 0.153 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.336 -5.348 0.039 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.247 -6.704 1.423 1.00 0.00 C ATOM 0 H LEU A 36 0.860 -9.056 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.787 -8.250 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.331 -6.813 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.024 -6.086 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 36 1.322 -7.474 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.959 -5.205 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.966 -5.362 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.619 -4.530 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.397 -6.543 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.003 -5.920 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.735 -7.675 1.511 1.00 0.00 H new ATOM 507 N GLN A 37 -1.072 -8.947 -3.446 1.00 0.00 N ATOM 508 CA GLN A 37 -1.646 -9.141 -4.772 1.00 0.00 C ATOM 509 C GLN A 37 -2.963 -9.906 -4.689 1.00 0.00 C ATOM 510 O GLN A 37 -3.731 -9.942 -5.650 1.00 0.00 O ATOM 511 CB GLN A 37 -0.663 -9.892 -5.671 1.00 0.00 C ATOM 512 CG GLN A 37 0.499 -9.037 -6.150 1.00 0.00 C ATOM 513 CD GLN A 37 1.055 -9.500 -7.482 1.00 0.00 C ATOM 514 OE1 GLN A 37 0.979 -8.786 -8.482 1.00 0.00 O ATOM 515 NE2 GLN A 37 1.620 -10.702 -7.502 1.00 0.00 N ATOM 0 H GLN A 37 -0.118 -9.292 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.844 -8.159 -5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.271 -10.752 -5.128 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.199 -10.280 -6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.171 -8.001 -6.238 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.292 -9.058 -5.403 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.661 -11.260 -6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.013 -11.067 -8.370 1.00 0.00 H new ATOM 524 N GLN A 38 -3.216 -10.515 -3.535 1.00 0.00 N ATOM 525 CA GLN A 38 -4.440 -11.280 -3.328 1.00 0.00 C ATOM 526 C GLN A 38 -5.666 -10.375 -3.400 1.00 0.00 C ATOM 527 O GLN A 38 -6.665 -10.715 -4.034 1.00 0.00 O ATOM 528 CB GLN A 38 -4.398 -11.994 -1.976 1.00 0.00 C ATOM 529 CG GLN A 38 -4.620 -11.068 -0.791 1.00 0.00 C ATOM 530 CD GLN A 38 -4.611 -11.804 0.534 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.609 -11.822 1.254 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.480 -12.417 0.863 1.00 0.00 N ATOM 0 H GLN A 38 -2.590 -10.494 -2.730 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.512 -12.024 -4.122 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.158 -12.775 -1.963 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.432 -12.487 -1.865 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.844 -10.303 -0.782 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.574 -10.554 -0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.677 -12.376 0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.415 -12.929 1.743 1.00 0.00 H new ATOM 541 N PHE A 39 -5.583 -9.221 -2.746 1.00 0.00 N ATOM 542 CA PHE A 39 -6.686 -8.268 -2.735 1.00 0.00 C ATOM 543 C PHE A 39 -6.787 -7.536 -4.070 1.00 0.00 C ATOM 544 O PHE A 39 -7.882 -7.261 -4.558 1.00 0.00 O ATOM 545 CB PHE A 39 -6.504 -7.258 -1.600 1.00 0.00 C ATOM 546 CG PHE A 39 -6.394 -7.894 -0.243 1.00 0.00 C ATOM 547 CD1 PHE A 39 -5.162 -8.285 0.256 1.00 0.00 C ATOM 548 CD2 PHE A 39 -7.523 -8.100 0.533 1.00 0.00 C ATOM 549 CE1 PHE A 39 -5.059 -8.871 1.503 1.00 0.00 C ATOM 550 CE2 PHE A 39 -7.426 -8.685 1.782 1.00 0.00 C ATOM 551 CZ PHE A 39 -6.192 -9.070 2.267 1.00 0.00 C ATOM 0 H PHE A 39 -4.763 -8.924 -2.217 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.610 -8.823 -2.574 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.607 -6.668 -1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.347 -6.567 -1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.272 -8.130 -0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.490 -7.800 0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.093 -9.173 1.880 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.314 -8.840 2.377 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.113 -9.526 3.243 1.00 0.00 H new ATOM 561 N GLY A 40 -5.635 -7.224 -4.655 1.00 0.00 N ATOM 562 CA GLY A 40 -5.614 -6.527 -5.928 1.00 0.00 C ATOM 563 C GLY A 40 -4.207 -6.323 -6.455 1.00 0.00 C ATOM 564 O GLY A 40 -3.248 -6.281 -5.683 1.00 0.00 O ATOM 0 H GLY A 40 -4.716 -7.441 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.193 -7.092 -6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.101 -5.558 -5.816 1.00 0.00 H new ATOM 568 N ASP A 41 -4.083 -6.198 -7.771 1.00 0.00 N ATOM 569 CA ASP A 41 -2.782 -5.998 -8.401 1.00 0.00 C ATOM 570 C ASP A 41 -1.933 -5.020 -7.595 1.00 0.00 C ATOM 571 O ASP A 41 -2.457 -4.223 -6.815 1.00 0.00 O ATOM 572 CB ASP A 41 -2.958 -5.483 -9.830 1.00 0.00 C ATOM 573 CG ASP A 41 -3.924 -6.329 -10.636 1.00 0.00 C ATOM 574 OD1 ASP A 41 -3.831 -7.572 -10.557 1.00 0.00 O ATOM 575 OD2 ASP A 41 -4.772 -5.749 -11.346 1.00 0.00 O ATOM 0 H ASP A 41 -4.867 -6.231 -8.423 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.268 -6.959 -8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.318 -4.455 -9.801 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.989 -5.468 -10.329 1.00 0.00 H new ATOM 580 N LEU A 42 -0.621 -5.086 -7.788 1.00 0.00 N ATOM 581 CA LEU A 42 0.302 -4.206 -7.078 1.00 0.00 C ATOM 582 C LEU A 42 1.154 -3.406 -8.059 1.00 0.00 C ATOM 583 O LEU A 42 1.975 -3.966 -8.785 1.00 0.00 O ATOM 584 CB LEU A 42 1.204 -5.022 -6.150 1.00 0.00 C ATOM 585 CG LEU A 42 0.621 -5.364 -4.779 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.345 -6.556 -4.173 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.701 -4.161 -3.850 1.00 0.00 C ATOM 0 H LEU A 42 -0.172 -5.739 -8.430 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.286 -3.508 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.464 -5.953 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.132 -4.470 -6.001 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.428 -5.629 -4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.916 -6.785 -3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.236 -7.420 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.403 -6.319 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.281 -4.423 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.743 -3.865 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.136 -3.333 -4.278 1.00 0.00 H new ATOM 599 N LYS A 43 0.954 -2.092 -8.072 1.00 0.00 N ATOM 600 CA LYS A 43 1.705 -1.213 -8.960 1.00 0.00 C ATOM 601 C LYS A 43 3.206 -1.427 -8.795 1.00 0.00 C ATOM 602 O LYS A 43 3.928 -1.616 -9.775 1.00 0.00 O ATOM 603 CB LYS A 43 1.354 0.250 -8.679 1.00 0.00 C ATOM 604 CG LYS A 43 2.236 1.240 -9.420 1.00 0.00 C ATOM 605 CD LYS A 43 1.674 1.569 -10.793 1.00 0.00 C ATOM 606 CE LYS A 43 0.736 2.765 -10.740 1.00 0.00 C ATOM 607 NZ LYS A 43 -0.640 2.374 -10.326 1.00 0.00 N ATOM 0 H LYS A 43 0.278 -1.613 -7.477 1.00 0.00 H new ATOM 0 HA LYS A 43 1.432 -1.455 -9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.314 0.425 -8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.435 0.435 -7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.328 2.155 -8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.239 0.827 -9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.493 1.778 -11.482 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.140 0.704 -11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.129 3.504 -10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.699 3.241 -11.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.335 2.929 -10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.784 1.361 -10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.762 2.559 -9.310 1.00 0.00 H new ATOM 621 N TYR A 44 3.670 -1.397 -7.551 1.00 0.00 N ATOM 622 CA TYR A 44 5.086 -1.586 -7.258 1.00 0.00 C ATOM 623 C TYR A 44 5.289 -2.028 -5.812 1.00 0.00 C ATOM 624 O TYR A 44 4.607 -1.553 -4.904 1.00 0.00 O ATOM 625 CB TYR A 44 5.861 -0.294 -7.522 1.00 0.00 C ATOM 626 CG TYR A 44 5.960 0.610 -6.313 1.00 0.00 C ATOM 627 CD1 TYR A 44 6.765 0.271 -5.232 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.248 1.801 -6.252 1.00 0.00 C ATOM 629 CE1 TYR A 44 6.858 1.092 -4.126 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.337 2.630 -5.150 1.00 0.00 C ATOM 631 CZ TYR A 44 6.143 2.271 -4.089 1.00 0.00 C ATOM 632 OH TYR A 44 6.232 3.093 -2.990 1.00 0.00 O ATOM 0 H TYR A 44 3.086 -1.244 -6.729 1.00 0.00 H new ATOM 0 HA TYR A 44 5.465 -2.369 -7.915 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.866 -0.546 -7.860 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.378 0.250 -8.334 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.328 -0.651 -5.258 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.614 2.084 -7.080 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.487 0.813 -3.294 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.779 3.554 -5.119 1.00 0.00 H new ATOM 0 HH TYR A 44 5.667 3.882 -3.125 1.00 0.00 H new ATOM 642 N VAL A 45 6.233 -2.942 -5.606 1.00 0.00 N ATOM 643 CA VAL A 45 6.529 -3.448 -4.271 1.00 0.00 C ATOM 644 C VAL A 45 8.011 -3.306 -3.946 1.00 0.00 C ATOM 645 O VAL A 45 8.844 -4.057 -4.455 1.00 0.00 O ATOM 646 CB VAL A 45 6.122 -4.927 -4.129 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.552 -5.719 -5.355 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.718 -5.523 -2.863 1.00 0.00 C ATOM 0 H VAL A 45 6.805 -3.347 -6.347 1.00 0.00 H new ATOM 0 HA VAL A 45 5.948 -2.850 -3.569 1.00 0.00 H new ATOM 0 HB VAL A 45 5.036 -4.982 -4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.256 -6.761 -5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.074 -5.304 -6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.635 -5.659 -5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.421 -6.568 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.805 -5.457 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.356 -4.971 -1.996 1.00 0.00 H new ATOM 658 N ARG A 46 8.335 -2.338 -3.094 1.00 0.00 N ATOM 659 CA ARG A 46 9.718 -2.097 -2.701 1.00 0.00 C ATOM 660 C ARG A 46 9.898 -2.296 -1.199 1.00 0.00 C ATOM 661 O ARG A 46 9.073 -1.852 -0.399 1.00 0.00 O ATOM 662 CB ARG A 46 10.142 -0.681 -3.093 1.00 0.00 C ATOM 663 CG ARG A 46 11.640 -0.530 -3.302 1.00 0.00 C ATOM 664 CD ARG A 46 12.081 0.917 -3.151 1.00 0.00 C ATOM 665 NE ARG A 46 13.517 1.078 -3.366 1.00 0.00 N ATOM 666 CZ ARG A 46 14.133 2.254 -3.366 1.00 0.00 C ATOM 667 NH1 ARG A 46 13.442 3.368 -3.162 1.00 0.00 N ATOM 668 NH2 ARG A 46 15.442 2.319 -3.569 1.00 0.00 N ATOM 0 H ARG A 46 7.658 -1.708 -2.663 1.00 0.00 H new ATOM 0 HA ARG A 46 10.349 -2.816 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.625 -0.397 -4.010 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.820 0.014 -2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.173 -1.151 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.908 -0.891 -4.295 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.536 1.538 -3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.822 1.273 -2.154 1.00 0.00 H new ATOM 0 HE ARG A 46 14.077 0.241 -3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.435 3.322 -3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.918 4.270 -3.162 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.977 1.465 -3.725 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.914 3.223 -3.569 1.00 0.00 H new ATOM 682 N VAL A 47 10.982 -2.966 -0.822 1.00 0.00 N ATOM 683 CA VAL A 47 11.272 -3.223 0.584 1.00 0.00 C ATOM 684 C VAL A 47 12.572 -2.551 1.009 1.00 0.00 C ATOM 685 O VAL A 47 13.637 -2.831 0.460 1.00 0.00 O ATOM 686 CB VAL A 47 11.371 -4.733 0.870 1.00 0.00 C ATOM 687 CG1 VAL A 47 12.415 -5.379 -0.028 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.691 -4.978 2.336 1.00 0.00 C ATOM 0 H VAL A 47 11.674 -3.341 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 47 10.445 -2.805 1.159 1.00 0.00 H new ATOM 0 HB VAL A 47 10.406 -5.190 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.471 -6.446 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 47 12.137 -5.235 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.387 -4.920 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.757 -6.050 2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.643 -4.508 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.903 -4.552 2.957 1.00 0.00 H new ATOM 698 N VAL A 48 12.478 -1.661 1.993 1.00 0.00 N ATOM 699 CA VAL A 48 13.647 -0.948 2.494 1.00 0.00 C ATOM 700 C VAL A 48 14.663 -1.914 3.093 1.00 0.00 C ATOM 701 O VAL A 48 14.379 -2.602 4.074 1.00 0.00 O ATOM 702 CB VAL A 48 13.255 0.094 3.558 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.600 -0.583 4.753 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.473 0.896 3.991 1.00 0.00 C ATOM 0 H VAL A 48 11.604 -1.417 2.459 1.00 0.00 H new ATOM 0 HA VAL A 48 14.095 -0.435 1.643 1.00 0.00 H new ATOM 0 HB VAL A 48 12.532 0.782 3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.330 0.169 5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.703 -1.109 4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.297 -1.295 5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.178 1.628 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.220 0.224 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 48 14.894 1.412 3.128 1.00 0.00 H new ATOM 857 N GLY A 58 12.467 -4.575 8.324 1.00 0.00 N ATOM 858 CA GLY A 58 11.261 -4.957 9.035 1.00 0.00 C ATOM 859 C GLY A 58 10.035 -4.219 8.535 1.00 0.00 C ATOM 860 O GLY A 58 8.992 -4.218 9.191 1.00 0.00 O ATOM 0 HA2 GLY A 58 11.104 -6.030 8.928 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.392 -4.759 10.099 1.00 0.00 H new ATOM 864 N CYS A 59 10.159 -3.588 7.373 1.00 0.00 N ATOM 865 CA CYS A 59 9.052 -2.840 6.787 1.00 0.00 C ATOM 866 C CYS A 59 9.236 -2.689 5.280 1.00 0.00 C ATOM 867 O CYS A 59 10.346 -2.815 4.765 1.00 0.00 O ATOM 868 CB CYS A 59 8.938 -1.462 7.440 1.00 0.00 C ATOM 869 SG CYS A 59 10.524 -0.740 7.921 1.00 0.00 S ATOM 0 H CYS A 59 11.015 -3.579 6.818 1.00 0.00 H new ATOM 0 HA CYS A 59 8.133 -3.397 6.969 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.437 -0.784 6.748 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.304 -1.542 8.323 1.00 0.00 H new ATOM 0 HG CYS A 59 10.324 0.425 8.462 1.00 0.00 H new ATOM 875 N ALA A 60 8.139 -2.420 4.580 1.00 0.00 N ATOM 876 CA ALA A 60 8.179 -2.251 3.133 1.00 0.00 C ATOM 877 C ALA A 60 7.023 -1.382 2.649 1.00 0.00 C ATOM 878 O ALA A 60 5.983 -1.294 3.302 1.00 0.00 O ATOM 879 CB ALA A 60 8.147 -3.606 2.442 1.00 0.00 C ATOM 0 H ALA A 60 7.212 -2.314 4.992 1.00 0.00 H new ATOM 0 HA ALA A 60 9.111 -1.746 2.877 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.177 -3.464 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.009 -4.195 2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.231 -4.131 2.713 1.00 0.00 H new ATOM 885 N PHE A 61 7.212 -0.740 1.501 1.00 0.00 N ATOM 886 CA PHE A 61 6.185 0.125 0.931 1.00 0.00 C ATOM 887 C PHE A 61 5.668 -0.442 -0.389 1.00 0.00 C ATOM 888 O PHE A 61 6.447 -0.861 -1.244 1.00 0.00 O ATOM 889 CB PHE A 61 6.739 1.534 0.711 1.00 0.00 C ATOM 890 CG PHE A 61 7.473 2.081 1.902 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.832 1.860 2.056 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.805 2.818 2.866 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.510 2.362 3.151 1.00 0.00 C ATOM 894 CE2 PHE A 61 7.477 3.323 3.963 1.00 0.00 C ATOM 895 CZ PHE A 61 8.832 3.095 4.105 1.00 0.00 C ATOM 0 H PHE A 61 8.066 -0.802 0.947 1.00 0.00 H new ATOM 0 HA PHE A 61 5.355 0.174 1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.412 1.522 -0.146 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.917 2.204 0.461 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.368 1.289 1.312 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.746 3.000 2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.569 2.181 3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.944 3.895 4.708 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.360 3.489 4.961 1.00 0.00 H new ATOM 905 N ALA A 62 4.348 -0.451 -0.545 1.00 0.00 N ATOM 906 CA ALA A 62 3.727 -0.964 -1.760 1.00 0.00 C ATOM 907 C ALA A 62 2.686 0.011 -2.298 1.00 0.00 C ATOM 908 O ALA A 62 2.280 0.944 -1.605 1.00 0.00 O ATOM 909 CB ALA A 62 3.093 -2.322 -1.495 1.00 0.00 C ATOM 0 H ALA A 62 3.689 -0.109 0.154 1.00 0.00 H new ATOM 0 HA ALA A 62 4.504 -1.079 -2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.633 -2.694 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.859 -3.023 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.332 -2.223 -0.721 1.00 0.00 H new ATOM 915 N GLN A 63 2.259 -0.210 -3.537 1.00 0.00 N ATOM 916 CA GLN A 63 1.266 0.651 -4.168 1.00 0.00 C ATOM 917 C GLN A 63 0.269 -0.170 -4.978 1.00 0.00 C ATOM 918 O GLN A 63 0.646 -0.884 -5.908 1.00 0.00 O ATOM 919 CB GLN A 63 1.952 1.678 -5.071 1.00 0.00 C ATOM 920 CG GLN A 63 1.049 2.833 -5.473 1.00 0.00 C ATOM 921 CD GLN A 63 1.399 3.401 -6.834 1.00 0.00 C ATOM 922 OE1 GLN A 63 0.570 3.421 -7.744 1.00 0.00 O ATOM 923 NE2 GLN A 63 2.634 3.868 -6.981 1.00 0.00 N ATOM 0 H GLN A 63 2.585 -0.978 -4.124 1.00 0.00 H new ATOM 0 HA GLN A 63 0.723 1.174 -3.381 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.828 2.074 -4.557 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.310 1.177 -5.971 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.013 2.494 -5.481 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.120 3.622 -4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.289 3.832 -6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.927 4.263 -7.875 1.00 0.00 H new ATOM 932 N PHE A 64 -1.007 -0.065 -4.619 1.00 0.00 N ATOM 933 CA PHE A 64 -2.059 -0.800 -5.311 1.00 0.00 C ATOM 934 C PHE A 64 -2.445 -0.100 -6.611 1.00 0.00 C ATOM 935 O PHE A 64 -2.124 1.070 -6.817 1.00 0.00 O ATOM 936 CB PHE A 64 -3.288 -0.943 -4.411 1.00 0.00 C ATOM 937 CG PHE A 64 -3.272 -2.186 -3.568 1.00 0.00 C ATOM 938 CD1 PHE A 64 -2.690 -2.179 -2.310 1.00 0.00 C ATOM 939 CD2 PHE A 64 -3.839 -3.361 -4.032 1.00 0.00 C ATOM 940 CE1 PHE A 64 -2.673 -3.321 -1.533 1.00 0.00 C ATOM 941 CE2 PHE A 64 -3.826 -4.507 -3.260 1.00 0.00 C ATOM 942 CZ PHE A 64 -3.243 -4.487 -2.008 1.00 0.00 C ATOM 0 H PHE A 64 -1.337 0.522 -3.853 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.677 -1.792 -5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.354 -0.072 -3.759 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.184 -0.946 -5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.245 -1.270 -1.933 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.297 -3.382 -5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.215 -3.303 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.271 -5.417 -3.635 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.233 -5.381 -1.402 1.00 0.00 H new ATOM 952 N MET A 65 -3.137 -0.826 -7.484 1.00 0.00 N ATOM 953 CA MET A 65 -3.568 -0.275 -8.763 1.00 0.00 C ATOM 954 C MET A 65 -4.870 0.503 -8.609 1.00 0.00 C ATOM 955 O MET A 65 -5.231 1.309 -9.468 1.00 0.00 O ATOM 956 CB MET A 65 -3.748 -1.395 -9.790 1.00 0.00 C ATOM 957 CG MET A 65 -2.469 -2.163 -10.083 1.00 0.00 C ATOM 958 SD MET A 65 -1.135 -1.095 -10.660 1.00 0.00 S ATOM 959 CE MET A 65 -1.643 -0.805 -12.353 1.00 0.00 C ATOM 0 H MET A 65 -3.411 -1.796 -7.329 1.00 0.00 H new ATOM 0 HA MET A 65 -2.796 0.410 -9.114 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.505 -2.091 -9.428 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.126 -0.968 -10.719 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.148 -2.684 -9.181 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.671 -2.924 -10.836 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.777 -0.880 -13.011 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.384 -1.549 -12.643 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.077 0.191 -12.437 1.00 0.00 H new ATOM 969 N THR A 66 -5.575 0.258 -7.508 1.00 0.00 N ATOM 970 CA THR A 66 -6.838 0.934 -7.242 1.00 0.00 C ATOM 971 C THR A 66 -6.980 1.272 -5.763 1.00 0.00 C ATOM 972 O THR A 66 -6.461 0.561 -4.902 1.00 0.00 O ATOM 973 CB THR A 66 -8.039 0.073 -7.678 1.00 0.00 C ATOM 974 OG1 THR A 66 -7.887 -1.263 -7.186 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.166 0.050 -9.194 1.00 0.00 C ATOM 0 H THR A 66 -5.292 -0.404 -6.786 1.00 0.00 H new ATOM 0 HA THR A 66 -6.831 1.856 -7.823 1.00 0.00 H new ATOM 0 HB THR A 66 -8.945 0.513 -7.260 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.655 -1.804 -7.466 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.021 -0.564 -9.478 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.310 1.066 -9.562 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.258 -0.368 -9.629 1.00 0.00 H new ATOM 983 N GLN A 67 -7.685 2.361 -5.474 1.00 0.00 N ATOM 984 CA GLN A 67 -7.895 2.792 -4.097 1.00 0.00 C ATOM 985 C GLN A 67 -8.592 1.705 -3.286 1.00 0.00 C ATOM 986 O GLN A 67 -8.196 1.408 -2.160 1.00 0.00 O ATOM 987 CB GLN A 67 -8.720 4.080 -4.063 1.00 0.00 C ATOM 988 CG GLN A 67 -7.876 5.344 -4.077 1.00 0.00 C ATOM 989 CD GLN A 67 -7.564 5.851 -2.683 1.00 0.00 C ATOM 990 OE1 GLN A 67 -7.658 7.048 -2.409 1.00 0.00 O ATOM 991 NE2 GLN A 67 -7.188 4.941 -1.791 1.00 0.00 N ATOM 0 H GLN A 67 -8.120 2.961 -6.175 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.919 2.983 -3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.393 4.093 -4.920 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.343 4.079 -3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.943 5.148 -4.606 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.401 6.121 -4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.123 3.959 -2.060 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.964 5.224 -0.837 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.633 1.117 -3.867 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.387 0.063 -3.197 1.00 0.00 C ATOM 1002 C GLU A 68 -9.466 -1.078 -2.772 1.00 0.00 C ATOM 1003 O GLU A 68 -9.610 -1.632 -1.683 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.488 -0.470 -4.115 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.709 -0.980 -3.369 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.842 -1.369 -4.299 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -13.638 -2.274 -5.135 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -14.931 -0.769 -4.191 1.00 0.00 O ATOM 0 H GLU A 68 -9.973 1.352 -4.799 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.844 0.490 -2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.795 0.322 -4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.082 -1.277 -4.725 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.427 -1.843 -2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.057 -0.210 -2.681 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.522 -1.423 -3.641 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.578 -2.496 -3.357 1.00 0.00 C ATOM 1017 C ALA A 69 -6.831 -2.239 -2.052 1.00 0.00 C ATOM 1018 O ALA A 69 -6.958 -3.000 -1.094 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.595 -2.653 -4.508 1.00 0.00 C ATOM 0 H ALA A 69 -8.391 -0.975 -4.548 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.142 -3.422 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.896 -3.458 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.140 -2.891 -5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.045 -1.722 -4.646 1.00 0.00 H new ATOM 1025 N ALA A 70 -6.053 -1.162 -2.024 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.287 -0.805 -0.836 1.00 0.00 C ATOM 1027 C ALA A 70 -6.127 -0.963 0.427 1.00 0.00 C ATOM 1028 O ALA A 70 -5.686 -1.568 1.404 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.768 0.621 -0.952 1.00 0.00 C ATOM 0 H ALA A 70 -5.937 -0.522 -2.810 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.438 -1.485 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.198 0.875 -0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.125 0.704 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.609 1.307 -1.053 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.337 -0.414 0.399 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.237 -0.494 1.544 1.00 0.00 C ATOM 1037 C GLN A 71 -8.490 -1.945 1.938 1.00 0.00 C ATOM 1038 O GLN A 71 -8.394 -2.307 3.110 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.563 0.199 1.225 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.408 1.661 0.838 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.313 2.359 1.620 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -8.587 3.193 2.484 1.00 0.00 O ATOM 1043 NE2 GLN A 71 -7.064 2.021 1.322 1.00 0.00 N ATOM 0 H GLN A 71 -7.716 0.090 -0.402 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.762 0.013 2.384 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.055 -0.333 0.411 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.218 0.129 2.093 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.188 1.729 -0.227 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.353 2.179 1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.883 1.325 0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.286 2.457 1.816 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.815 -2.773 0.950 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.081 -4.186 1.192 1.00 0.00 C ATOM 1054 C LYS A 72 -7.883 -4.860 1.853 1.00 0.00 C ATOM 1055 O LYS A 72 -8.021 -5.904 2.492 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.417 -4.895 -0.122 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.756 -4.484 -0.710 1.00 0.00 C ATOM 1058 CD LYS A 72 -11.008 -5.158 -2.048 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.366 -4.778 -2.617 1.00 0.00 C ATOM 1060 NZ LYS A 72 -12.875 -5.803 -3.570 1.00 0.00 N ATOM 0 H LYS A 72 -8.900 -2.489 -0.026 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.934 -4.259 1.866 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.631 -4.687 -0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.419 -5.972 0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.555 -4.743 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.782 -3.402 -0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.225 -4.875 -2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.953 -6.240 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.079 -4.654 -1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.291 -3.816 -3.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.803 -5.507 -3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.207 -5.904 -4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.971 -6.715 -3.080 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.710 -4.256 1.698 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.488 -4.798 2.282 1.00 0.00 C ATOM 1076 C CYS A 73 -5.308 -4.310 3.716 1.00 0.00 C ATOM 1077 O CYS A 73 -4.640 -4.957 4.524 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.276 -4.401 1.438 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.693 -4.567 2.297 1.00 0.00 S ATOM 0 H CYS A 73 -6.579 -3.391 1.173 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.571 -5.885 2.296 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.256 -5.016 0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.395 -3.367 1.114 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.905 -4.876 3.542 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.904 -3.164 4.024 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.808 -2.587 5.361 1.00 0.00 C ATOM 1087 C LEU A 74 -6.750 -3.296 6.329 1.00 0.00 C ATOM 1088 O LEU A 74 -6.311 -3.911 7.300 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.132 -1.093 5.317 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.283 -0.249 4.366 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -5.856 1.154 4.241 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -3.839 -0.197 4.845 1.00 0.00 C ATOM 0 H LEU A 74 -6.459 -2.616 3.367 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.786 -2.720 5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.179 -0.977 5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.025 -0.689 6.324 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.302 -0.716 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.238 1.740 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.873 1.098 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.868 1.631 5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.249 0.408 4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.802 0.246 5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.431 -1.207 4.882 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.048 -3.206 6.056 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.052 -3.842 6.900 1.00 0.00 C ATOM 1106 C ALA A 75 -8.700 -5.301 7.167 1.00 0.00 C ATOM 1107 O ALA A 75 -9.072 -5.860 8.198 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.426 -3.738 6.254 1.00 0.00 C ATOM 0 H ALA A 75 -8.429 -2.699 5.257 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.071 -3.320 7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.166 -4.217 6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.687 -2.688 6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.410 -4.234 5.284 1.00 0.00 H new ATOM 1114 N ALA A 76 -7.981 -5.913 6.231 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.578 -7.307 6.368 1.00 0.00 C ATOM 1116 C ALA A 76 -6.272 -7.427 7.144 1.00 0.00 C ATOM 1117 O ALA A 76 -5.968 -8.479 7.707 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.441 -7.953 4.997 1.00 0.00 C ATOM 0 H ALA A 76 -7.666 -5.465 5.370 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.352 -7.830 6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.140 -8.994 5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.398 -7.908 4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.687 -7.420 4.417 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.502 -6.344 7.170 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.228 -6.329 7.879 1.00 0.00 C ATOM 1126 C ALA A 77 -4.428 -6.022 9.359 1.00 0.00 C ATOM 1127 O ALA A 77 -3.739 -6.576 10.216 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.286 -5.313 7.250 1.00 0.00 C ATOM 0 H ALA A 77 -5.738 -5.466 6.708 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.783 -7.320 7.797 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.339 -5.312 7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.110 -5.577 6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.734 -4.321 7.302 1.00 0.00 H new ATOM 1134 N SER A 78 -5.374 -5.135 9.653 1.00 0.00 N ATOM 1135 CA SER A 78 -5.661 -4.751 11.030 1.00 0.00 C ATOM 1136 C SER A 78 -6.529 -5.800 11.717 1.00 0.00 C ATOM 1137 O SER A 78 -7.715 -5.937 11.413 1.00 0.00 O ATOM 1138 CB SER A 78 -6.359 -3.390 11.067 1.00 0.00 C ATOM 1139 OG SER A 78 -6.051 -2.691 12.261 1.00 0.00 O ATOM 0 H SER A 78 -5.955 -4.669 8.956 1.00 0.00 H new ATOM 0 HA SER A 78 -4.715 -4.681 11.566 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.052 -2.797 10.205 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.437 -3.529 10.991 1.00 0.00 H new ATOM 0 HG SER A 78 -6.508 -1.824 12.260 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.407 -9.973 8.613 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.516 -10.722 7.733 1.00 0.00 C ATOM 1227 C LEU A 86 -1.240 -11.125 8.466 1.00 0.00 C ATOM 1228 O LEU A 86 -0.808 -10.451 9.401 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.168 -9.889 6.499 1.00 0.00 C ATOM 1230 CG LEU A 86 -3.103 -10.044 5.299 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.540 -9.749 5.701 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.667 -9.132 4.162 1.00 0.00 C ATOM 0 HA LEU A 86 -3.033 -11.628 7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.151 -8.838 6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.158 -10.149 6.183 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.049 -11.076 4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.191 -9.864 4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.849 -10.443 6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.611 -8.728 6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.344 -9.256 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.691 -8.095 4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.653 -9.391 3.856 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.639 -12.228 8.033 1.00 0.00 N ATOM 1245 CA LYS A 87 0.590 -12.721 8.644 1.00 0.00 C ATOM 1246 C LYS A 87 1.479 -13.399 7.606 1.00 0.00 C ATOM 1247 O LYS A 87 1.033 -14.285 6.876 1.00 0.00 O ATOM 1248 CB LYS A 87 0.265 -13.701 9.773 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.582 -13.097 10.878 1.00 0.00 C ATOM 1250 CD LYS A 87 -0.286 -13.739 12.223 1.00 0.00 C ATOM 1251 CE LYS A 87 -1.185 -14.939 12.478 1.00 0.00 C ATOM 1252 NZ LYS A 87 -2.627 -14.570 12.438 1.00 0.00 N ATOM 0 H LYS A 87 -0.983 -12.798 7.260 1.00 0.00 H new ATOM 0 HA LYS A 87 1.129 -11.868 9.057 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.257 -14.562 9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.197 -14.070 10.202 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.394 -12.025 10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.638 -13.223 10.638 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.758 -14.051 12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.424 -13.004 13.016 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.986 -15.707 11.731 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.947 -15.371 13.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.110 -14.967 13.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.721 -13.534 12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.059 -14.951 11.572 1.00 0.00 H new ATOM 1266 N LEU A 88 2.738 -12.980 7.548 1.00 0.00 N ATOM 1267 CA LEU A 88 3.691 -13.549 6.601 1.00 0.00 C ATOM 1268 C LEU A 88 4.705 -14.436 7.315 1.00 0.00 C ATOM 1269 O LEU A 88 5.669 -13.946 7.903 1.00 0.00 O ATOM 1270 CB LEU A 88 4.416 -12.434 5.845 1.00 0.00 C ATOM 1271 CG LEU A 88 5.117 -12.847 4.550 1.00 0.00 C ATOM 1272 CD1 LEU A 88 4.160 -13.604 3.643 1.00 0.00 C ATOM 1273 CD2 LEU A 88 5.679 -11.627 3.835 1.00 0.00 C ATOM 0 H LEU A 88 3.123 -12.248 8.145 1.00 0.00 H new ATOM 0 HA LEU A 88 3.137 -14.162 5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.694 -11.652 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.157 -11.993 6.511 1.00 0.00 H new ATOM 0 HG LEU A 88 5.945 -13.509 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.676 -13.890 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.806 -14.499 4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.311 -12.967 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.174 -11.940 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.867 -10.940 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.399 -11.125 4.482 1.00 0.00 H new ATOM 1285 N ASP A 89 4.482 -15.745 7.259 1.00 0.00 N ATOM 1286 CA ASP A 89 5.378 -16.702 7.897 1.00 0.00 C ATOM 1287 C ASP A 89 5.184 -16.701 9.410 1.00 0.00 C ATOM 1288 O ASP A 89 6.150 -16.649 10.170 1.00 0.00 O ATOM 1289 CB ASP A 89 6.833 -16.376 7.557 1.00 0.00 C ATOM 1290 CG ASP A 89 7.001 -15.907 6.125 1.00 0.00 C ATOM 1291 OD1 ASP A 89 6.510 -16.601 5.212 1.00 0.00 O ATOM 1292 OD2 ASP A 89 7.626 -14.845 5.918 1.00 0.00 O ATOM 0 H ASP A 89 3.688 -16.167 6.778 1.00 0.00 H new ATOM 0 HA ASP A 89 5.139 -17.696 7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.197 -15.604 8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.449 -17.260 7.721 1.00 0.00 H new ATOM 1297 N GLY A 90 3.927 -16.759 9.841 1.00 0.00 N ATOM 1298 CA GLY A 90 3.629 -16.763 11.261 1.00 0.00 C ATOM 1299 C GLY A 90 3.984 -15.451 11.932 1.00 0.00 C ATOM 1300 O GLY A 90 4.061 -15.373 13.158 1.00 0.00 O ATOM 0 H GLY A 90 3.110 -16.803 9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.568 -16.966 11.406 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.177 -17.573 11.742 1.00 0.00 H new ATOM 1304 N ARG A 91 4.204 -14.417 11.126 1.00 0.00 N ATOM 1305 CA ARG A 91 4.557 -13.102 11.649 1.00 0.00 C ATOM 1306 C ARG A 91 3.470 -12.080 11.329 1.00 0.00 C ATOM 1307 O ARG A 91 3.109 -11.888 10.168 1.00 0.00 O ATOM 1308 CB ARG A 91 5.893 -12.640 11.067 1.00 0.00 C ATOM 1309 CG ARG A 91 7.084 -13.446 11.560 1.00 0.00 C ATOM 1310 CD ARG A 91 7.680 -12.844 12.823 1.00 0.00 C ATOM 1311 NE ARG A 91 8.526 -13.796 13.536 1.00 0.00 N ATOM 1312 CZ ARG A 91 9.490 -13.437 14.377 1.00 0.00 C ATOM 1313 NH1 ARG A 91 9.728 -12.154 14.609 1.00 0.00 N ATOM 1314 NH2 ARG A 91 10.217 -14.363 14.989 1.00 0.00 N ATOM 0 H ARG A 91 4.144 -14.464 10.109 1.00 0.00 H new ATOM 0 HA ARG A 91 4.649 -13.182 12.732 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.847 -12.703 9.980 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.046 -11.591 11.319 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.774 -14.472 11.756 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.845 -13.486 10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.266 -11.962 12.563 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.877 -12.510 13.480 1.00 0.00 H new ATOM 0 HE ARG A 91 8.369 -14.792 13.380 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.170 -11.439 14.141 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.469 -11.881 15.255 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.036 -15.351 14.814 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.957 -14.086 15.634 1.00 0.00 H new ATOM 1328 N GLN A 92 2.952 -11.429 12.366 1.00 0.00 N ATOM 1329 CA GLN A 92 1.906 -10.429 12.194 1.00 0.00 C ATOM 1330 C GLN A 92 2.422 -9.231 11.404 1.00 0.00 C ATOM 1331 O GLN A 92 3.510 -8.719 11.673 1.00 0.00 O ATOM 1332 CB GLN A 92 1.382 -9.969 13.556 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.079 -9.550 13.536 1.00 0.00 C ATOM 1334 CD GLN A 92 -0.273 -8.134 13.029 1.00 0.00 C ATOM 1335 OE1 GLN A 92 0.476 -7.226 13.387 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.283 -7.940 12.189 1.00 0.00 N ATOM 0 H GLN A 92 3.240 -11.577 13.333 1.00 0.00 H new ATOM 0 HA GLN A 92 1.090 -10.886 11.634 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.510 -10.777 14.277 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.987 -9.132 13.905 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.642 -10.238 12.905 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.490 -9.631 14.542 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.879 -8.722 11.919 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.463 -7.009 11.814 1.00 0.00 H new ATOM 1345 N LEU A 93 1.637 -8.789 10.428 1.00 0.00 N ATOM 1346 CA LEU A 93 2.015 -7.650 9.598 1.00 0.00 C ATOM 1347 C LEU A 93 1.064 -6.478 9.815 1.00 0.00 C ATOM 1348 O LEU A 93 -0.140 -6.666 9.997 1.00 0.00 O ATOM 1349 CB LEU A 93 2.020 -8.051 8.122 1.00 0.00 C ATOM 1350 CG LEU A 93 2.633 -9.414 7.798 1.00 0.00 C ATOM 1351 CD1 LEU A 93 2.289 -9.829 6.376 1.00 0.00 C ATOM 1352 CD2 LEU A 93 4.141 -9.381 7.996 1.00 0.00 C ATOM 0 H LEU A 93 0.735 -9.202 10.192 1.00 0.00 H new ATOM 0 HA LEU A 93 3.018 -7.337 9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.992 -8.042 7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.561 -7.289 7.561 1.00 0.00 H new ATOM 0 HG LEU A 93 2.213 -10.152 8.482 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.734 -10.801 6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.206 -9.893 6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.680 -9.090 5.677 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.560 -10.359 7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.578 -8.631 7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.366 -9.129 9.032 1.00 0.00 H new ATOM 1364 N LYS A 94 1.611 -5.267 9.794 1.00 0.00 N ATOM 1365 CA LYS A 94 0.812 -4.063 9.985 1.00 0.00 C ATOM 1366 C LYS A 94 0.784 -3.221 8.713 1.00 0.00 C ATOM 1367 O LYS A 94 1.746 -2.519 8.401 1.00 0.00 O ATOM 1368 CB LYS A 94 1.369 -3.235 11.145 1.00 0.00 C ATOM 1369 CG LYS A 94 0.811 -3.635 12.500 1.00 0.00 C ATOM 1370 CD LYS A 94 0.870 -2.483 13.490 1.00 0.00 C ATOM 1371 CE LYS A 94 0.164 -2.830 14.791 1.00 0.00 C ATOM 1372 NZ LYS A 94 -1.310 -2.645 14.689 1.00 0.00 N ATOM 0 H LYS A 94 2.605 -5.094 9.646 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.208 -4.368 10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.454 -3.336 11.164 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.150 -2.182 10.967 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.221 -3.965 12.386 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.375 -4.481 12.891 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.910 -2.231 13.695 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.409 -1.599 13.049 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.383 -3.864 15.058 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.554 -2.204 15.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.754 -2.892 15.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.520 -1.653 14.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.686 -3.261 13.940 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.324 -3.295 7.983 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.478 -2.537 6.747 1.00 0.00 C ATOM 1388 C VAL A 95 -1.288 -1.267 6.978 1.00 0.00 C ATOM 1389 O VAL A 95 -2.388 -1.311 7.529 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.164 -3.379 5.655 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.183 -2.625 4.333 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.467 -4.722 5.502 1.00 0.00 C ATOM 0 H VAL A 95 -1.129 -3.873 8.226 1.00 0.00 H new ATOM 0 HA VAL A 95 0.524 -2.269 6.413 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.195 -3.563 5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.671 -3.235 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.730 -1.690 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.161 -2.409 4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.965 -5.304 4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.575 -4.562 5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.511 -5.264 6.447 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.738 -0.135 6.553 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.410 1.149 6.711 1.00 0.00 C ATOM 1404 C ASP A 96 -1.176 2.039 5.494 1.00 0.00 C ATOM 1405 O ASP A 96 -0.101 2.018 4.894 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.917 1.854 7.976 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.725 3.095 8.300 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.933 2.959 8.586 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -1.149 4.203 8.267 1.00 0.00 O ATOM 0 H ASP A 96 0.172 -0.081 6.096 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.480 0.962 6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.967 1.162 8.817 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.130 2.129 7.851 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.190 2.819 5.135 1.00 0.00 N ATOM 1415 CA LEU A 97 -2.096 3.716 3.988 1.00 0.00 C ATOM 1416 C LEU A 97 -0.996 4.752 4.196 1.00 0.00 C ATOM 1417 O LEU A 97 -1.193 5.749 4.889 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.435 4.417 3.753 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.588 5.141 2.415 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.249 5.695 1.952 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -4.171 4.206 1.366 1.00 0.00 C ATOM 0 H LEU A 97 -3.086 2.849 5.621 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.846 3.119 3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.230 3.676 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.589 5.140 4.554 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.276 5.975 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.377 6.207 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.870 6.399 2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.539 4.877 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.273 4.738 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.508 3.351 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.151 3.857 1.693 1.00 0.00 H new ATOM 1433 N ALA A 98 0.161 4.509 3.589 1.00 0.00 N ATOM 1434 CA ALA A 98 1.291 5.423 3.704 1.00 0.00 C ATOM 1435 C ALA A 98 1.183 6.559 2.693 1.00 0.00 C ATOM 1436 O ALA A 98 0.238 6.615 1.905 1.00 0.00 O ATOM 1437 CB ALA A 98 2.600 4.670 3.518 1.00 0.00 C ATOM 0 H ALA A 98 0.340 3.687 3.013 1.00 0.00 H new ATOM 0 HA ALA A 98 1.274 5.858 4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.435 5.365 3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.688 3.898 4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.616 4.207 2.531 1.00 0.00 H new ATOM 1443 N VAL A 99 2.156 7.464 2.720 1.00 0.00 N ATOM 1444 CA VAL A 99 2.171 8.599 1.805 1.00 0.00 C ATOM 1445 C VAL A 99 3.559 9.224 1.728 1.00 0.00 C ATOM 1446 O VAL A 99 4.241 9.378 2.742 1.00 0.00 O ATOM 1447 CB VAL A 99 1.157 9.677 2.232 1.00 0.00 C ATOM 1448 CG1 VAL A 99 1.422 10.124 3.661 1.00 0.00 C ATOM 1449 CG2 VAL A 99 1.204 10.860 1.277 1.00 0.00 C ATOM 0 H VAL A 99 2.945 7.433 3.366 1.00 0.00 H new ATOM 0 HA VAL A 99 1.893 8.218 0.823 1.00 0.00 H new ATOM 0 HB VAL A 99 0.157 9.246 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.696 10.886 3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.333 9.270 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.428 10.538 3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.481 11.612 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.204 11.293 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.960 10.524 0.269 1.00 0.00 H new