USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 554 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 26 THR OG1 : rot 180:sc= -0.0526 USER MOD Set 1.2: A 67 SER OG : rot -53:sc= 1.2 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.45 X(o=-1.4,f=-1.1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.246 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -108:sc= 0.569 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -85:sc= 0.463 USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= 1.02 (180deg=0.778) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0185 X(o=-0.018,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -164:sc= -6.01! (180deg=-6.16!) USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.279) USER MOD Single : A 83 GLN : amide:sc=-0.00346 X(o=-0.0035,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.343 USER MOD Single : A 86 ASN : amide:sc= 0.357 K(o=0.36,f=-4.7!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0722 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 149 N CYS A 11 -8.371 3.589 -9.830 1.00 0.00 N ATOM 150 CA CYS A 11 -8.903 2.403 -10.481 1.00 0.00 C ATOM 151 C CYS A 11 -10.256 2.762 -11.100 1.00 0.00 C ATOM 152 O CYS A 11 -10.660 3.924 -11.088 1.00 0.00 O ATOM 153 CB CYS A 11 -9.016 1.227 -9.508 1.00 0.00 C ATOM 154 SG CYS A 11 -10.502 1.253 -8.441 1.00 0.00 S ATOM 0 HA CYS A 11 -8.220 2.077 -11.265 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.013 0.299 -10.080 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.130 1.213 -8.873 1.00 0.00 H new ATOM 159 N VAL A 12 -10.917 1.743 -11.630 1.00 0.00 N ATOM 160 CA VAL A 12 -12.215 1.937 -12.254 1.00 0.00 C ATOM 161 C VAL A 12 -13.316 1.649 -11.231 1.00 0.00 C ATOM 162 O VAL A 12 -13.921 2.573 -10.689 1.00 0.00 O ATOM 163 CB VAL A 12 -12.325 1.071 -13.510 1.00 0.00 C ATOM 164 CG1 VAL A 12 -13.697 1.233 -14.168 1.00 0.00 C ATOM 165 CG2 VAL A 12 -11.203 1.392 -14.499 1.00 0.00 C ATOM 0 H VAL A 12 -10.578 0.781 -11.640 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.334 2.971 -12.576 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.217 0.029 -13.208 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.750 0.607 -15.059 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.475 0.932 -13.466 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.845 2.276 -14.448 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.305 0.762 -15.383 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.265 2.440 -14.792 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.238 1.203 -14.029 1.00 0.00 H new ATOM 175 N SER A 13 -13.541 0.365 -10.997 1.00 0.00 N ATOM 176 CA SER A 13 -14.558 -0.056 -10.048 1.00 0.00 C ATOM 177 C SER A 13 -13.907 -0.784 -8.871 1.00 0.00 C ATOM 178 O SER A 13 -12.698 -0.681 -8.665 1.00 0.00 O ATOM 179 CB SER A 13 -15.599 -0.955 -10.719 1.00 0.00 C ATOM 180 OG SER A 13 -16.930 -0.542 -10.423 1.00 0.00 O ATOM 0 H SER A 13 -13.037 -0.398 -11.448 1.00 0.00 H new ATOM 0 HA SER A 13 -15.069 0.833 -9.678 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.447 -0.943 -11.798 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.457 -1.984 -10.389 1.00 0.00 H new ATOM 0 HG SER A 13 -17.565 -1.139 -10.871 1.00 0.00 H new ATOM 186 N LEU A 14 -14.736 -1.505 -8.130 1.00 0.00 N ATOM 187 CA LEU A 14 -14.256 -2.250 -6.979 1.00 0.00 C ATOM 188 C LEU A 14 -14.237 -3.742 -7.315 1.00 0.00 C ATOM 189 O LEU A 14 -15.278 -4.397 -7.312 1.00 0.00 O ATOM 190 CB LEU A 14 -15.082 -1.910 -5.737 1.00 0.00 C ATOM 191 CG LEU A 14 -14.486 -0.856 -4.802 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.512 -0.403 -3.762 1.00 0.00 C ATOM 193 CD2 LEU A 14 -13.198 -1.366 -4.152 1.00 0.00 C ATOM 0 H LEU A 14 -15.737 -1.589 -8.305 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.232 -1.963 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -16.064 -1.565 -6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.238 -2.826 -5.167 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.223 0.019 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.063 0.346 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.377 0.027 -4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.829 -1.259 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.795 -0.598 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.413 -2.265 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.467 -1.599 -4.926 1.00 0.00 H new ATOM 205 N THR A 15 -13.040 -4.237 -7.599 1.00 0.00 N ATOM 206 CA THR A 15 -12.872 -5.641 -7.937 1.00 0.00 C ATOM 207 C THR A 15 -13.466 -5.931 -9.316 1.00 0.00 C ATOM 208 O THR A 15 -13.273 -5.160 -10.254 1.00 0.00 O ATOM 209 CB THR A 15 -13.497 -6.475 -6.818 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.172 -5.760 -5.628 1.00 0.00 O ATOM 211 CG2 THR A 15 -12.807 -7.828 -6.640 1.00 0.00 C ATOM 0 H THR A 15 -12.178 -3.691 -7.602 1.00 0.00 H new ATOM 0 HA THR A 15 -11.818 -5.908 -8.009 1.00 0.00 H new ATOM 0 HB THR A 15 -14.554 -6.633 -7.031 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.541 -6.231 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.290 -8.379 -5.833 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.882 -8.399 -7.565 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.757 -7.671 -6.394 1.00 0.00 H new ATOM 219 N THR A 16 -14.176 -7.047 -9.396 1.00 0.00 N ATOM 220 CA THR A 16 -14.799 -7.450 -10.645 1.00 0.00 C ATOM 221 C THR A 16 -13.775 -8.128 -11.557 1.00 0.00 C ATOM 222 O THR A 16 -14.122 -8.613 -12.633 1.00 0.00 O ATOM 223 CB THR A 16 -15.446 -6.213 -11.271 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.673 -6.698 -11.810 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.678 -5.705 -12.494 1.00 0.00 C ATOM 0 H THR A 16 -14.334 -7.685 -8.616 1.00 0.00 H new ATOM 0 HA THR A 16 -15.579 -8.192 -10.477 1.00 0.00 H new ATOM 0 HB THR A 16 -15.508 -5.420 -10.526 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.158 -5.960 -12.234 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.180 -4.826 -12.899 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.662 -5.440 -12.201 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.645 -6.486 -13.253 1.00 0.00 H new ATOM 233 N GLN A 17 -12.534 -8.139 -11.095 1.00 0.00 N ATOM 234 CA GLN A 17 -11.457 -8.750 -11.856 1.00 0.00 C ATOM 235 C GLN A 17 -10.512 -9.510 -10.923 1.00 0.00 C ATOM 236 O GLN A 17 -9.502 -8.966 -10.479 1.00 0.00 O ATOM 237 CB GLN A 17 -10.697 -7.701 -12.669 1.00 0.00 C ATOM 238 CG GLN A 17 -10.239 -6.544 -11.780 1.00 0.00 C ATOM 239 CD GLN A 17 -9.957 -5.291 -12.612 1.00 0.00 C ATOM 240 OE1 GLN A 17 -10.852 -4.561 -13.006 1.00 0.00 O ATOM 241 NE2 GLN A 17 -8.666 -5.083 -12.857 1.00 0.00 N ATOM 0 H GLN A 17 -12.250 -7.735 -10.203 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.893 -9.461 -12.558 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.832 -8.162 -13.146 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -11.336 -7.321 -13.466 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.006 -6.326 -11.037 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.340 -6.833 -11.235 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.967 -5.733 -12.497 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.375 -4.273 -13.404 1.00 0.00 H new ATOM 250 N ARG A 18 -10.873 -10.755 -10.652 1.00 0.00 N ATOM 251 CA ARG A 18 -10.071 -11.595 -9.779 1.00 0.00 C ATOM 252 C ARG A 18 -8.702 -11.859 -10.410 1.00 0.00 C ATOM 253 O ARG A 18 -8.511 -12.869 -11.086 1.00 0.00 O ATOM 254 CB ARG A 18 -10.766 -12.930 -9.508 1.00 0.00 C ATOM 255 CG ARG A 18 -10.736 -13.270 -8.016 1.00 0.00 C ATOM 256 CD ARG A 18 -10.493 -14.766 -7.800 1.00 0.00 C ATOM 257 NE ARG A 18 -9.173 -14.978 -7.163 1.00 0.00 N ATOM 258 CZ ARG A 18 -8.762 -16.149 -6.659 1.00 0.00 C ATOM 259 NH1 ARG A 18 -9.562 -17.221 -6.717 1.00 0.00 N ATOM 260 NH2 ARG A 18 -7.548 -16.248 -6.100 1.00 0.00 N ATOM 0 H ARG A 18 -11.711 -11.203 -11.022 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.945 -11.067 -8.834 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.799 -12.883 -9.853 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.276 -13.721 -10.075 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.951 -12.696 -7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.680 -12.981 -7.554 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.280 -15.184 -7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.534 -15.291 -8.754 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.537 -14.183 -7.104 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.485 -17.146 -7.145 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.249 -18.113 -6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.938 -15.432 -6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.235 -17.139 -5.716 1.00 0.00 H new ATOM 274 N LEU A 19 -7.785 -10.935 -10.166 1.00 0.00 N ATOM 275 CA LEU A 19 -6.440 -11.054 -10.702 1.00 0.00 C ATOM 276 C LEU A 19 -5.618 -11.977 -9.801 1.00 0.00 C ATOM 277 O LEU A 19 -5.744 -11.930 -8.578 1.00 0.00 O ATOM 278 CB LEU A 19 -5.816 -9.672 -10.900 1.00 0.00 C ATOM 279 CG LEU A 19 -6.035 -9.026 -12.270 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.426 -8.395 -12.363 1.00 0.00 C ATOM 281 CD2 LEU A 19 -4.927 -8.021 -12.586 1.00 0.00 C ATOM 0 H LEU A 19 -7.947 -10.100 -9.604 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.463 -11.510 -11.692 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.214 -9.003 -10.137 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.743 -9.751 -10.725 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.985 -9.808 -13.028 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.556 -7.943 -13.346 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.185 -9.163 -12.214 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.530 -7.629 -11.595 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.107 -7.577 -13.565 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.919 -7.238 -11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.964 -8.531 -12.591 1.00 0.00 H new ATOM 293 N PRO A 20 -4.771 -12.817 -10.456 1.00 0.00 N ATOM 294 CA PRO A 20 -3.928 -13.748 -9.726 1.00 0.00 C ATOM 295 C PRO A 20 -2.754 -13.024 -9.066 1.00 0.00 C ATOM 296 O PRO A 20 -2.062 -12.238 -9.712 1.00 0.00 O ATOM 297 CB PRO A 20 -3.489 -14.773 -10.759 1.00 0.00 C ATOM 298 CG PRO A 20 -3.718 -14.123 -12.114 1.00 0.00 C ATOM 299 CD PRO A 20 -4.595 -12.900 -11.902 1.00 0.00 C ATOM 0 HA PRO A 20 -4.451 -14.232 -8.901 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.440 -15.038 -10.625 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.065 -15.694 -10.665 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.768 -13.838 -12.566 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.198 -14.823 -12.797 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.122 -12.000 -12.296 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.552 -13.006 -12.412 1.00 0.00 H new ATOM 307 N VAL A 21 -2.564 -13.315 -7.787 1.00 0.00 N ATOM 308 CA VAL A 21 -1.485 -12.700 -7.032 1.00 0.00 C ATOM 309 C VAL A 21 -0.167 -12.892 -7.786 1.00 0.00 C ATOM 310 O VAL A 21 0.763 -12.103 -7.627 1.00 0.00 O ATOM 311 CB VAL A 21 -1.450 -13.269 -5.612 1.00 0.00 C ATOM 312 CG1 VAL A 21 -0.129 -13.994 -5.344 1.00 0.00 C ATOM 313 CG2 VAL A 21 -1.693 -12.171 -4.575 1.00 0.00 C ATOM 0 H VAL A 21 -3.139 -13.968 -7.255 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.650 -11.627 -6.934 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.256 -13.998 -5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.130 -14.389 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.014 -14.815 -6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.700 -13.296 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.663 -12.602 -3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.920 -11.408 -4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.670 -11.719 -4.746 1.00 0.00 H new ATOM 323 N SER A 22 -0.131 -13.944 -8.590 1.00 0.00 N ATOM 324 CA SER A 22 1.057 -14.250 -9.369 1.00 0.00 C ATOM 325 C SER A 22 1.316 -13.137 -10.388 1.00 0.00 C ATOM 326 O SER A 22 2.462 -12.879 -10.752 1.00 0.00 O ATOM 327 CB SER A 22 0.918 -15.597 -10.080 1.00 0.00 C ATOM 328 OG SER A 22 1.978 -15.825 -11.005 1.00 0.00 O ATOM 0 H SER A 22 -0.905 -14.595 -8.719 1.00 0.00 H new ATOM 0 HA SER A 22 1.905 -14.315 -8.687 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.904 -16.397 -9.340 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.036 -15.632 -10.606 1.00 0.00 H new ATOM 0 HG SER A 22 1.854 -16.696 -11.437 1.00 0.00 H new ATOM 334 N ARG A 23 0.232 -12.508 -10.817 1.00 0.00 N ATOM 335 CA ARG A 23 0.327 -11.429 -11.785 1.00 0.00 C ATOM 336 C ARG A 23 0.456 -10.083 -11.069 1.00 0.00 C ATOM 337 O ARG A 23 1.003 -9.131 -11.625 1.00 0.00 O ATOM 338 CB ARG A 23 -0.901 -11.399 -12.698 1.00 0.00 C ATOM 339 CG ARG A 23 -0.514 -11.695 -14.148 1.00 0.00 C ATOM 340 CD ARG A 23 -0.565 -13.198 -14.432 1.00 0.00 C ATOM 341 NE ARG A 23 -1.368 -13.456 -15.649 1.00 0.00 N ATOM 342 CZ ARG A 23 -1.678 -14.680 -16.098 1.00 0.00 C ATOM 343 NH1 ARG A 23 -1.256 -15.764 -15.435 1.00 0.00 N ATOM 344 NH2 ARG A 23 -2.411 -14.818 -17.212 1.00 0.00 N ATOM 0 H ARG A 23 -0.717 -12.725 -10.512 1.00 0.00 H new ATOM 0 HA ARG A 23 1.214 -11.606 -12.394 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.631 -12.133 -12.356 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.379 -10.421 -12.638 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.190 -11.170 -14.823 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.489 -11.318 -14.345 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.445 -13.586 -14.564 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.000 -13.723 -13.581 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.706 -12.652 -16.178 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.698 -15.658 -14.588 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.492 -16.695 -15.777 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.732 -13.992 -17.717 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.648 -15.749 -17.555 1.00 0.00 H new ATOM 358 N ILE A 24 -0.057 -10.046 -9.849 1.00 0.00 N ATOM 359 CA ILE A 24 -0.006 -8.833 -9.052 1.00 0.00 C ATOM 360 C ILE A 24 1.360 -8.732 -8.370 1.00 0.00 C ATOM 361 O ILE A 24 1.941 -9.746 -7.984 1.00 0.00 O ATOM 362 CB ILE A 24 -1.185 -8.782 -8.078 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.487 -9.193 -8.770 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.295 -7.404 -7.423 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.581 -9.492 -7.745 1.00 0.00 C ATOM 0 H ILE A 24 -0.511 -10.837 -9.392 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.110 -7.955 -9.689 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.002 -9.504 -7.282 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.816 -8.396 -9.437 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.312 -10.074 -9.388 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.141 -7.394 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.379 -7.188 -6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.444 -6.646 -8.192 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.495 -9.782 -8.263 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.259 -10.306 -7.096 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.770 -8.602 -7.145 1.00 0.00 H new ATOM 377 N LYS A 25 1.833 -7.502 -8.241 1.00 0.00 N ATOM 378 CA LYS A 25 3.120 -7.256 -7.612 1.00 0.00 C ATOM 379 C LYS A 25 2.902 -6.891 -6.142 1.00 0.00 C ATOM 380 O LYS A 25 3.107 -7.719 -5.256 1.00 0.00 O ATOM 381 CB LYS A 25 3.908 -6.206 -8.397 1.00 0.00 C ATOM 382 CG LYS A 25 5.414 -6.422 -8.241 1.00 0.00 C ATOM 383 CD LYS A 25 5.840 -6.281 -6.779 1.00 0.00 C ATOM 384 CE LYS A 25 6.080 -7.651 -6.142 1.00 0.00 C ATOM 385 NZ LYS A 25 7.382 -7.675 -5.440 1.00 0.00 N ATOM 0 H LYS A 25 1.348 -6.664 -8.561 1.00 0.00 H new ATOM 0 HA LYS A 25 3.732 -8.158 -7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.637 -6.256 -9.452 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.642 -5.209 -8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.683 -7.413 -8.608 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.954 -5.699 -8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.750 -5.683 -6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.070 -5.747 -6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.278 -7.878 -5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.060 -8.424 -6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.529 -8.612 -5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.146 -7.480 -6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.388 -6.950 -4.694 1.00 0.00 H new ATOM 399 N THR A 26 2.490 -5.650 -5.929 1.00 0.00 N ATOM 400 CA THR A 26 2.243 -5.165 -4.582 1.00 0.00 C ATOM 401 C THR A 26 0.809 -4.646 -4.457 1.00 0.00 C ATOM 402 O THR A 26 0.067 -4.618 -5.437 1.00 0.00 O ATOM 403 CB THR A 26 3.301 -4.109 -4.258 1.00 0.00 C ATOM 404 OG1 THR A 26 3.221 -3.959 -2.843 1.00 0.00 O ATOM 405 CG2 THR A 26 2.934 -2.726 -4.800 1.00 0.00 C ATOM 0 H THR A 26 2.321 -4.966 -6.667 1.00 0.00 H new ATOM 0 HA THR A 26 2.330 -5.968 -3.850 1.00 0.00 H new ATOM 0 HB THR A 26 4.260 -4.419 -4.673 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.876 -3.293 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.718 -2.014 -4.542 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.831 -2.776 -5.884 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.991 -2.401 -4.360 1.00 0.00 H new ATOM 413 N TYR A 27 0.461 -4.248 -3.241 1.00 0.00 N ATOM 414 CA TYR A 27 -0.871 -3.732 -2.975 1.00 0.00 C ATOM 415 C TYR A 27 -0.822 -2.586 -1.962 1.00 0.00 C ATOM 416 O TYR A 27 0.159 -2.436 -1.236 1.00 0.00 O ATOM 417 CB TYR A 27 -1.661 -4.896 -2.373 1.00 0.00 C ATOM 418 CG TYR A 27 -1.252 -5.253 -0.944 1.00 0.00 C ATOM 419 CD1 TYR A 27 -0.059 -5.907 -0.710 1.00 0.00 C ATOM 420 CD2 TYR A 27 -2.076 -4.921 0.113 1.00 0.00 C ATOM 421 CE1 TYR A 27 0.326 -6.243 0.636 1.00 0.00 C ATOM 422 CE2 TYR A 27 -1.691 -5.257 1.459 1.00 0.00 C ATOM 423 CZ TYR A 27 -0.508 -5.902 1.654 1.00 0.00 C ATOM 424 OH TYR A 27 -0.145 -6.220 2.925 1.00 0.00 O ATOM 0 H TYR A 27 1.079 -4.273 -2.430 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.324 -3.348 -3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.722 -4.646 -2.384 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.534 -5.774 -3.006 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.586 -6.167 -1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.009 -4.409 -0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.257 -6.755 0.833 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.326 -5.003 2.295 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.836 -5.914 3.549 1.00 0.00 H new ATOM 434 N THR A 28 -1.894 -1.808 -1.945 1.00 0.00 N ATOM 435 CA THR A 28 -1.986 -0.681 -1.034 1.00 0.00 C ATOM 436 C THR A 28 -3.406 -0.561 -0.475 1.00 0.00 C ATOM 437 O THR A 28 -4.369 -0.473 -1.234 1.00 0.00 O ATOM 438 CB THR A 28 -1.520 0.571 -1.780 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.217 0.820 -1.260 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.321 1.816 -1.393 1.00 0.00 C ATOM 0 H THR A 28 -2.707 -1.936 -2.548 1.00 0.00 H new ATOM 0 HA THR A 28 -1.339 -0.820 -0.168 1.00 0.00 H new ATOM 0 HB THR A 28 -1.604 0.406 -2.854 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.161 1.615 -1.691 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.950 2.676 -1.951 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.374 1.659 -1.627 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.211 2.002 -0.325 1.00 0.00 H new ATOM 448 N ILE A 29 -3.489 -0.563 0.847 1.00 0.00 N ATOM 449 CA ILE A 29 -4.774 -0.455 1.516 1.00 0.00 C ATOM 450 C ILE A 29 -4.871 0.904 2.212 1.00 0.00 C ATOM 451 O ILE A 29 -3.912 1.355 2.838 1.00 0.00 O ATOM 452 CB ILE A 29 -4.990 -1.643 2.455 1.00 0.00 C ATOM 453 CG1 ILE A 29 -4.857 -2.969 1.703 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.330 -1.530 3.185 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.167 -4.154 2.619 1.00 0.00 C ATOM 0 H ILE A 29 -2.687 -0.638 1.473 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.586 -0.499 0.790 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.208 -1.624 3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.536 -2.977 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.846 -3.066 1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.458 -2.387 3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.348 -0.613 3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.141 -1.509 2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.065 -5.083 2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.471 -4.157 3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.187 -4.067 2.994 1.00 0.00 H new ATOM 467 N THR A 30 -6.036 1.519 2.080 1.00 0.00 N ATOM 468 CA THR A 30 -6.270 2.819 2.687 1.00 0.00 C ATOM 469 C THR A 30 -7.092 2.667 3.970 1.00 0.00 C ATOM 470 O THR A 30 -7.672 1.611 4.217 1.00 0.00 O ATOM 471 CB THR A 30 -6.934 3.717 1.643 1.00 0.00 C ATOM 472 OG1 THR A 30 -8.057 2.960 1.197 1.00 0.00 O ATOM 473 CG2 THR A 30 -6.078 3.888 0.387 1.00 0.00 C ATOM 0 H THR A 30 -6.829 1.142 1.561 1.00 0.00 H new ATOM 0 HA THR A 30 -5.334 3.288 2.990 1.00 0.00 H new ATOM 0 HB THR A 30 -7.134 4.695 2.081 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.892 2.634 0.288 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.596 4.534 -0.321 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.122 4.338 0.656 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.905 2.914 -0.071 1.00 0.00 H new ATOM 481 N GLU A 31 -7.113 3.737 4.750 1.00 0.00 N ATOM 482 CA GLU A 31 -7.854 3.736 6.001 1.00 0.00 C ATOM 483 C GLU A 31 -8.956 4.797 5.966 1.00 0.00 C ATOM 484 O GLU A 31 -9.915 4.726 6.732 1.00 0.00 O ATOM 485 CB GLU A 31 -6.919 3.956 7.192 1.00 0.00 C ATOM 486 CG GLU A 31 -6.857 2.710 8.078 1.00 0.00 C ATOM 487 CD GLU A 31 -5.643 1.847 7.728 1.00 0.00 C ATOM 488 OE1 GLU A 31 -5.396 1.682 6.515 1.00 0.00 O ATOM 489 OE2 GLU A 31 -4.990 1.374 8.683 1.00 0.00 O ATOM 0 H GLU A 31 -6.629 4.610 4.541 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.321 2.759 6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.919 4.202 6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.265 4.807 7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.807 3.007 9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.770 2.127 7.955 1.00 0.00 H new ATOM 496 N GLY A 32 -8.781 5.756 5.069 1.00 0.00 N ATOM 497 CA GLY A 32 -9.748 6.831 4.923 1.00 0.00 C ATOM 498 C GLY A 32 -11.152 6.275 4.674 1.00 0.00 C ATOM 499 O GLY A 32 -11.394 5.084 4.863 1.00 0.00 O ATOM 0 H GLY A 32 -7.983 5.811 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.751 7.447 5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.457 7.477 4.095 1.00 0.00 H new ATOM 503 N SER A 33 -12.039 7.164 4.253 1.00 0.00 N ATOM 504 CA SER A 33 -13.413 6.777 3.976 1.00 0.00 C ATOM 505 C SER A 33 -13.452 5.791 2.808 1.00 0.00 C ATOM 506 O SER A 33 -14.489 5.189 2.533 1.00 0.00 O ATOM 507 CB SER A 33 -14.278 8.000 3.668 1.00 0.00 C ATOM 508 OG SER A 33 -15.200 8.280 4.717 1.00 0.00 O ATOM 0 H SER A 33 -11.834 8.151 4.097 1.00 0.00 H new ATOM 0 HA SER A 33 -13.819 6.294 4.865 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.637 8.867 3.508 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.825 7.833 2.740 1.00 0.00 H new ATOM 0 HG SER A 33 -15.732 9.069 4.483 1.00 0.00 H new ATOM 514 N LEU A 34 -12.309 5.655 2.150 1.00 0.00 N ATOM 515 CA LEU A 34 -12.201 4.751 1.017 1.00 0.00 C ATOM 516 C LEU A 34 -11.964 3.328 1.526 1.00 0.00 C ATOM 517 O LEU A 34 -12.680 2.402 1.147 1.00 0.00 O ATOM 518 CB LEU A 34 -11.129 5.242 0.042 1.00 0.00 C ATOM 519 CG LEU A 34 -10.371 4.156 -0.724 1.00 0.00 C ATOM 520 CD1 LEU A 34 -11.189 3.653 -1.915 1.00 0.00 C ATOM 521 CD2 LEU A 34 -8.985 4.648 -1.147 1.00 0.00 C ATOM 0 H LEU A 34 -11.450 6.155 2.380 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.132 4.736 0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.601 5.907 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.406 5.838 0.598 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.221 3.308 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.627 2.882 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.131 3.236 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.392 4.482 -2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.468 3.857 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.090 5.521 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.409 4.917 -0.262 1.00 0.00 H new ATOM 533 N ARG A 35 -10.957 3.198 2.377 1.00 0.00 N ATOM 534 CA ARG A 35 -10.616 1.904 2.941 1.00 0.00 C ATOM 535 C ARG A 35 -10.788 0.805 1.891 1.00 0.00 C ATOM 536 O ARG A 35 -11.603 -0.101 2.063 1.00 0.00 O ATOM 537 CB ARG A 35 -11.494 1.584 4.153 1.00 0.00 C ATOM 538 CG ARG A 35 -10.877 0.466 4.997 1.00 0.00 C ATOM 539 CD ARG A 35 -11.207 0.652 6.479 1.00 0.00 C ATOM 540 NE ARG A 35 -10.638 -0.463 7.268 1.00 0.00 N ATOM 541 CZ ARG A 35 -10.646 -0.517 8.607 1.00 0.00 C ATOM 542 NH1 ARG A 35 -11.192 0.482 9.315 1.00 0.00 N ATOM 543 NH2 ARG A 35 -10.107 -1.568 9.239 1.00 0.00 N ATOM 0 H ARG A 35 -10.366 3.968 2.690 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.575 1.945 3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.618 2.479 4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.488 1.286 3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.250 -0.500 4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.796 0.457 4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.805 1.601 6.833 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.287 0.692 6.617 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.213 -1.239 6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.601 1.283 8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.198 0.441 10.334 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.690 -2.328 8.701 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.113 -1.608 10.258 1.00 0.00 H new ATOM 557 N ALA A 36 -10.009 0.920 0.826 1.00 0.00 N ATOM 558 CA ALA A 36 -10.064 -0.052 -0.252 1.00 0.00 C ATOM 559 C ALA A 36 -8.683 -0.680 -0.439 1.00 0.00 C ATOM 560 O ALA A 36 -7.671 -0.084 -0.071 1.00 0.00 O ATOM 561 CB ALA A 36 -10.574 0.626 -1.525 1.00 0.00 C ATOM 0 H ALA A 36 -9.335 1.673 0.687 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.760 -0.855 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.615 -0.103 -2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.571 1.029 -1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.899 1.436 -1.801 1.00 0.00 H new ATOM 567 N VAL A 37 -8.683 -1.875 -1.011 1.00 0.00 N ATOM 568 CA VAL A 37 -7.441 -2.591 -1.251 1.00 0.00 C ATOM 569 C VAL A 37 -6.989 -2.347 -2.692 1.00 0.00 C ATOM 570 O VAL A 37 -7.702 -2.684 -3.636 1.00 0.00 O ATOM 571 CB VAL A 37 -7.620 -4.074 -0.922 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.574 -4.263 0.258 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.102 -4.853 -2.148 1.00 0.00 C ATOM 0 H VAL A 37 -9.524 -2.366 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.653 -2.221 -0.596 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.648 -4.473 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.683 -5.326 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.172 -3.757 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.548 -3.841 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.221 -5.905 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.059 -4.451 -2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.370 -4.759 -2.950 1.00 0.00 H new ATOM 583 N ILE A 38 -5.805 -1.765 -2.817 1.00 0.00 N ATOM 584 CA ILE A 38 -5.249 -1.474 -4.128 1.00 0.00 C ATOM 585 C ILE A 38 -4.251 -2.569 -4.509 1.00 0.00 C ATOM 586 O ILE A 38 -3.395 -2.941 -3.707 1.00 0.00 O ATOM 587 CB ILE A 38 -4.654 -0.064 -4.155 1.00 0.00 C ATOM 588 CG1 ILE A 38 -5.709 0.982 -3.788 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.003 0.230 -5.508 1.00 0.00 C ATOM 590 CD1 ILE A 38 -6.685 1.207 -4.945 1.00 0.00 C ATOM 0 H ILE A 38 -5.216 -1.487 -2.032 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.033 -1.480 -4.885 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.869 -0.009 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.257 0.656 -2.904 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.220 1.922 -3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.588 1.238 -5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.205 -0.490 -5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.751 0.151 -6.297 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.424 1.955 -4.657 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.137 1.556 -5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.190 0.271 -5.182 1.00 0.00 H new ATOM 602 N PHE A 39 -4.394 -3.056 -5.733 1.00 0.00 N ATOM 603 CA PHE A 39 -3.516 -4.102 -6.230 1.00 0.00 C ATOM 604 C PHE A 39 -2.701 -3.609 -7.427 1.00 0.00 C ATOM 605 O PHE A 39 -3.264 -3.257 -8.463 1.00 0.00 O ATOM 606 CB PHE A 39 -4.410 -5.260 -6.678 1.00 0.00 C ATOM 607 CG PHE A 39 -4.936 -6.120 -5.527 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.085 -6.555 -4.560 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.253 -6.450 -5.472 1.00 0.00 C ATOM 610 CE1 PHE A 39 -4.574 -7.354 -3.492 1.00 0.00 C ATOM 611 CE2 PHE A 39 -6.742 -7.248 -4.405 1.00 0.00 C ATOM 612 CZ PHE A 39 -5.892 -7.684 -3.437 1.00 0.00 C ATOM 0 H PHE A 39 -5.105 -2.746 -6.395 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.818 -4.405 -5.450 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.257 -4.858 -7.234 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.849 -5.894 -7.365 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.038 -6.293 -4.604 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.928 -6.105 -6.241 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.899 -7.700 -2.723 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.789 -7.509 -4.362 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.264 -8.292 -2.625 1.00 0.00 H new ATOM 622 N ILE A 40 -1.389 -3.600 -7.246 1.00 0.00 N ATOM 623 CA ILE A 40 -0.490 -3.156 -8.298 1.00 0.00 C ATOM 624 C ILE A 40 0.097 -4.377 -9.009 1.00 0.00 C ATOM 625 O ILE A 40 0.611 -5.289 -8.363 1.00 0.00 O ATOM 626 CB ILE A 40 0.568 -2.206 -7.734 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.051 -1.230 -6.730 1.00 0.00 C ATOM 628 CG2 ILE A 40 1.306 -1.479 -8.860 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.992 -0.234 -6.220 1.00 0.00 C ATOM 0 H ILE A 40 -0.926 -3.893 -6.386 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.035 -2.581 -9.047 1.00 0.00 H new ATOM 0 HB ILE A 40 1.307 -2.798 -7.194 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.874 -0.692 -7.201 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.471 -1.784 -5.891 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.053 -0.810 -8.433 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.798 -2.209 -9.503 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.594 -0.900 -9.448 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.526 0.448 -5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.801 -0.774 -5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.392 0.335 -7.059 1.00 0.00 H new ATOM 641 N THR A 41 0.000 -4.356 -10.331 1.00 0.00 N ATOM 642 CA THR A 41 0.515 -5.450 -11.136 1.00 0.00 C ATOM 643 C THR A 41 1.887 -5.090 -11.708 1.00 0.00 C ATOM 644 O THR A 41 2.294 -3.930 -11.673 1.00 0.00 O ATOM 645 CB THR A 41 -0.525 -5.775 -12.211 1.00 0.00 C ATOM 646 OG1 THR A 41 -1.091 -4.509 -12.541 1.00 0.00 O ATOM 647 CG2 THR A 41 -1.704 -6.580 -11.661 1.00 0.00 C ATOM 0 H THR A 41 -0.428 -3.599 -10.864 1.00 0.00 H new ATOM 0 HA THR A 41 0.673 -6.345 -10.534 1.00 0.00 H new ATOM 0 HB THR A 41 -0.050 -6.333 -13.018 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.814 -4.300 -11.913 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.412 -6.784 -12.464 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.341 -7.522 -11.250 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.200 -6.009 -10.876 1.00 0.00 H new ATOM 655 N LYS A 42 2.564 -6.108 -12.220 1.00 0.00 N ATOM 656 CA LYS A 42 3.882 -5.914 -12.799 1.00 0.00 C ATOM 657 C LYS A 42 3.778 -4.960 -13.990 1.00 0.00 C ATOM 658 O LYS A 42 4.750 -4.295 -14.345 1.00 0.00 O ATOM 659 CB LYS A 42 4.519 -7.262 -13.146 1.00 0.00 C ATOM 660 CG LYS A 42 5.044 -7.959 -11.889 1.00 0.00 C ATOM 661 CD LYS A 42 4.391 -9.332 -11.710 1.00 0.00 C ATOM 662 CE LYS A 42 4.031 -9.582 -10.245 1.00 0.00 C ATOM 663 NZ LYS A 42 4.404 -10.957 -9.847 1.00 0.00 N ATOM 0 H LYS A 42 2.224 -7.069 -12.246 1.00 0.00 H new ATOM 0 HA LYS A 42 4.550 -5.448 -12.074 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.785 -7.899 -13.640 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.336 -7.111 -13.851 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.126 -8.073 -11.957 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.843 -7.340 -11.015 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.493 -9.394 -12.324 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.070 -10.110 -12.059 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.546 -8.861 -9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.962 -9.432 -10.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.427 -11.024 -8.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.704 -11.629 -10.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.344 -11.186 -10.229 1.00 0.00 H new ATOM 677 N ARG A 43 2.589 -4.922 -14.574 1.00 0.00 N ATOM 678 CA ARG A 43 2.344 -4.060 -15.718 1.00 0.00 C ATOM 679 C ARG A 43 2.277 -2.597 -15.275 1.00 0.00 C ATOM 680 O ARG A 43 2.442 -1.690 -16.089 1.00 0.00 O ATOM 681 CB ARG A 43 1.037 -4.434 -16.419 1.00 0.00 C ATOM 682 CG ARG A 43 1.286 -4.795 -17.886 1.00 0.00 C ATOM 683 CD ARG A 43 0.690 -6.164 -18.221 1.00 0.00 C ATOM 684 NE ARG A 43 0.811 -6.427 -19.672 1.00 0.00 N ATOM 685 CZ ARG A 43 0.623 -7.628 -20.236 1.00 0.00 C ATOM 686 NH1 ARG A 43 0.303 -8.683 -19.475 1.00 0.00 N ATOM 687 NH2 ARG A 43 0.753 -7.773 -21.562 1.00 0.00 N ATOM 0 H ARG A 43 1.785 -5.474 -14.276 1.00 0.00 H new ATOM 0 HA ARG A 43 3.169 -4.194 -16.417 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.574 -5.277 -15.907 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.337 -3.601 -16.359 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.846 -4.035 -18.531 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.357 -4.802 -18.086 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.205 -6.942 -17.658 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.358 -6.196 -17.923 1.00 0.00 H new ATOM 0 HE ARG A 43 1.053 -5.645 -20.281 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.202 -8.572 -18.466 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.160 -9.597 -19.905 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.995 -6.969 -22.142 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.610 -8.687 -21.992 1.00 0.00 H new ATOM 701 N GLY A 44 2.035 -2.413 -13.985 1.00 0.00 N ATOM 702 CA GLY A 44 1.943 -1.075 -13.424 1.00 0.00 C ATOM 703 C GLY A 44 0.483 -0.643 -13.273 1.00 0.00 C ATOM 704 O GLY A 44 0.205 0.460 -12.805 1.00 0.00 O ATOM 0 H GLY A 44 1.900 -3.168 -13.312 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.436 -1.050 -12.452 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.470 -0.370 -14.067 1.00 0.00 H new ATOM 708 N LEU A 45 -0.410 -1.534 -13.676 1.00 0.00 N ATOM 709 CA LEU A 45 -1.834 -1.259 -13.591 1.00 0.00 C ATOM 710 C LEU A 45 -2.316 -1.526 -12.163 1.00 0.00 C ATOM 711 O LEU A 45 -2.359 -2.673 -11.724 1.00 0.00 O ATOM 712 CB LEU A 45 -2.597 -2.049 -14.656 1.00 0.00 C ATOM 713 CG LEU A 45 -3.071 -1.250 -15.872 1.00 0.00 C ATOM 714 CD1 LEU A 45 -2.380 -1.732 -17.148 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.596 -1.293 -15.994 1.00 0.00 C ATOM 0 H LEU A 45 -0.175 -2.448 -14.063 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.033 -0.209 -13.804 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.958 -2.860 -15.006 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.467 -2.508 -14.186 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.788 -0.207 -15.728 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.735 -1.148 -17.997 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.302 -1.608 -17.047 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.610 -2.785 -17.311 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.908 -0.718 -16.866 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.923 -2.327 -16.105 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.045 -0.865 -15.098 1.00 0.00 H new ATOM 727 N LYS A 46 -2.667 -0.446 -11.480 1.00 0.00 N ATOM 728 CA LYS A 46 -3.144 -0.549 -10.112 1.00 0.00 C ATOM 729 C LYS A 46 -4.672 -0.491 -10.104 1.00 0.00 C ATOM 730 O LYS A 46 -5.267 0.394 -10.717 1.00 0.00 O ATOM 731 CB LYS A 46 -2.484 0.515 -9.233 1.00 0.00 C ATOM 732 CG LYS A 46 -2.727 1.918 -9.793 1.00 0.00 C ATOM 733 CD LYS A 46 -2.252 2.991 -8.811 1.00 0.00 C ATOM 734 CE LYS A 46 -0.781 2.782 -8.442 1.00 0.00 C ATOM 735 NZ LYS A 46 -0.034 4.055 -8.552 1.00 0.00 N ATOM 0 H LYS A 46 -2.630 0.504 -11.849 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.858 -1.508 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.880 0.451 -8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.412 0.326 -9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.202 2.031 -10.742 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.789 2.052 -9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.383 3.978 -9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.865 2.962 -7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.706 2.396 -7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.337 2.035 -9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.962 3.896 -8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.091 4.407 -9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.448 4.757 -7.906 1.00 0.00 H new ATOM 749 N VAL A 47 -5.266 -1.447 -9.403 1.00 0.00 N ATOM 750 CA VAL A 47 -6.714 -1.516 -9.309 1.00 0.00 C ATOM 751 C VAL A 47 -7.124 -1.520 -7.834 1.00 0.00 C ATOM 752 O VAL A 47 -6.336 -1.900 -6.968 1.00 0.00 O ATOM 753 CB VAL A 47 -7.231 -2.735 -10.076 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.374 -3.945 -9.152 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.554 -2.419 -10.776 1.00 0.00 C ATOM 0 H VAL A 47 -4.770 -2.180 -8.895 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.169 -0.641 -9.772 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.497 -2.986 -10.842 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.743 -4.797 -9.723 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.403 -4.190 -8.721 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.078 -3.711 -8.353 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.901 -3.301 -11.314 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.299 -2.131 -10.034 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.407 -1.599 -11.479 1.00 0.00 H new ATOM 765 N CYS A 48 -8.355 -1.094 -7.594 1.00 0.00 N ATOM 766 CA CYS A 48 -8.879 -1.044 -6.239 1.00 0.00 C ATOM 767 C CYS A 48 -9.857 -2.207 -6.059 1.00 0.00 C ATOM 768 O CYS A 48 -10.482 -2.651 -7.021 1.00 0.00 O ATOM 769 CB CYS A 48 -9.534 0.305 -5.936 1.00 0.00 C ATOM 770 SG CYS A 48 -11.222 0.508 -6.614 1.00 0.00 S ATOM 0 H CYS A 48 -9.005 -0.780 -8.315 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.061 -1.145 -5.526 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.573 0.439 -4.855 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.900 1.098 -6.333 1.00 0.00 H new ATOM 775 N ALA A 49 -9.958 -2.667 -4.821 1.00 0.00 N ATOM 776 CA ALA A 49 -10.848 -3.770 -4.503 1.00 0.00 C ATOM 777 C ALA A 49 -11.368 -3.603 -3.073 1.00 0.00 C ATOM 778 O ALA A 49 -10.718 -2.972 -2.242 1.00 0.00 O ATOM 779 CB ALA A 49 -10.112 -5.095 -4.705 1.00 0.00 C ATOM 0 H ALA A 49 -9.438 -2.296 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.710 -3.772 -5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.780 -5.922 -4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.789 -5.177 -5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.241 -5.131 -4.050 1.00 0.00 H new ATOM 785 N ASP A 50 -12.536 -4.180 -2.832 1.00 0.00 N ATOM 786 CA ASP A 50 -13.151 -4.104 -1.517 1.00 0.00 C ATOM 787 C ASP A 50 -12.534 -5.168 -0.608 1.00 0.00 C ATOM 788 O ASP A 50 -12.432 -6.333 -0.990 1.00 0.00 O ATOM 789 CB ASP A 50 -14.657 -4.364 -1.598 1.00 0.00 C ATOM 790 CG ASP A 50 -15.529 -3.108 -1.644 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.010 -2.042 -1.248 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.694 -3.242 -2.075 1.00 0.00 O ATOM 0 H ASP A 50 -13.073 -4.702 -3.525 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.979 -3.103 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.860 -4.961 -2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.954 -4.963 -0.737 1.00 0.00 H new ATOM 797 N PRO A 51 -12.129 -4.720 0.610 1.00 0.00 N ATOM 798 CA PRO A 51 -11.526 -5.621 1.577 1.00 0.00 C ATOM 799 C PRO A 51 -12.581 -6.521 2.222 1.00 0.00 C ATOM 800 O PRO A 51 -12.263 -7.341 3.080 1.00 0.00 O ATOM 801 CB PRO A 51 -10.827 -4.715 2.577 1.00 0.00 C ATOM 802 CG PRO A 51 -11.449 -3.339 2.400 1.00 0.00 C ATOM 803 CD PRO A 51 -12.234 -3.347 1.097 1.00 0.00 C ATOM 0 HA PRO A 51 -10.817 -6.312 1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.965 -5.078 3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.753 -4.685 2.392 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.104 -3.105 3.239 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.676 -2.571 2.376 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.274 -3.063 1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.818 -2.639 0.380 1.00 0.00 H new ATOM 811 N GLN A 52 -13.818 -6.335 1.783 1.00 0.00 N ATOM 812 CA GLN A 52 -14.923 -7.120 2.307 1.00 0.00 C ATOM 813 C GLN A 52 -14.981 -8.483 1.615 1.00 0.00 C ATOM 814 O GLN A 52 -15.756 -9.353 2.012 1.00 0.00 O ATOM 815 CB GLN A 52 -16.249 -6.371 2.154 1.00 0.00 C ATOM 816 CG GLN A 52 -17.260 -6.826 3.208 1.00 0.00 C ATOM 817 CD GLN A 52 -17.493 -5.732 4.253 1.00 0.00 C ATOM 818 OE1 GLN A 52 -16.597 -5.325 4.972 1.00 0.00 O ATOM 819 NE2 GLN A 52 -18.744 -5.282 4.295 1.00 0.00 N ATOM 0 H GLN A 52 -14.079 -5.653 1.071 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.755 -7.282 3.372 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.078 -5.299 2.248 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.655 -6.543 1.157 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.204 -7.080 2.726 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.898 -7.730 3.697 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -19.446 -5.667 3.663 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -19.001 -4.552 4.959 1.00 0.00 H new ATOM 828 N ALA A 53 -14.152 -8.628 0.591 1.00 0.00 N ATOM 829 CA ALA A 53 -14.099 -9.871 -0.159 1.00 0.00 C ATOM 830 C ALA A 53 -13.114 -10.827 0.515 1.00 0.00 C ATOM 831 O ALA A 53 -11.966 -10.466 0.766 1.00 0.00 O ATOM 832 CB ALA A 53 -13.722 -9.574 -1.612 1.00 0.00 C ATOM 0 H ALA A 53 -13.512 -7.905 0.263 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.075 -10.356 -0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.682 -10.506 -2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.469 -8.915 -2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.746 -9.089 -1.643 1.00 0.00 H new ATOM 838 N THR A 54 -13.599 -12.030 0.788 1.00 0.00 N ATOM 839 CA THR A 54 -12.776 -13.041 1.428 1.00 0.00 C ATOM 840 C THR A 54 -11.652 -13.487 0.489 1.00 0.00 C ATOM 841 O THR A 54 -10.525 -13.709 0.926 1.00 0.00 O ATOM 842 CB THR A 54 -13.690 -14.186 1.869 1.00 0.00 C ATOM 843 OG1 THR A 54 -14.247 -13.731 3.098 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.908 -15.443 2.256 1.00 0.00 C ATOM 0 H THR A 54 -14.552 -12.327 0.577 1.00 0.00 H new ATOM 0 HA THR A 54 -12.279 -12.644 2.313 1.00 0.00 H new ATOM 0 HB THR A 54 -14.386 -14.425 1.065 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.855 -14.413 3.454 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.604 -16.225 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.327 -15.788 1.401 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.236 -15.213 3.082 1.00 0.00 H new ATOM 852 N TRP A 55 -12.001 -13.605 -0.784 1.00 0.00 N ATOM 853 CA TRP A 55 -11.037 -14.020 -1.788 1.00 0.00 C ATOM 854 C TRP A 55 -9.924 -12.971 -1.838 1.00 0.00 C ATOM 855 O TRP A 55 -8.759 -13.306 -2.044 1.00 0.00 O ATOM 856 CB TRP A 55 -11.715 -14.238 -3.142 1.00 0.00 C ATOM 857 CG TRP A 55 -11.822 -12.973 -3.995 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.904 -12.214 -4.212 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.757 -12.346 -4.742 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.617 -11.148 -5.041 1.00 0.00 N ATOM 861 CE2 TRP A 55 -11.270 -11.231 -5.373 1.00 0.00 C ATOM 862 CE3 TRP A 55 -9.406 -12.710 -4.879 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.501 -10.388 -6.185 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.651 -11.858 -5.693 1.00 0.00 C ATOM 865 CH2 TRP A 55 -9.151 -10.731 -6.335 1.00 0.00 C ATOM 0 H TRP A 55 -12.938 -13.420 -1.143 1.00 0.00 H new ATOM 0 HA TRP A 55 -10.597 -14.982 -1.525 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -11.159 -14.993 -3.698 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.715 -14.637 -2.976 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.879 -12.411 -3.791 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -13.273 -10.431 -5.352 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.984 -13.578 -4.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.925 -9.521 -6.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.606 -12.093 -5.832 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.502 -10.122 -6.947 1.00 0.00 H new ATOM 876 N VAL A 56 -10.324 -11.723 -1.647 1.00 0.00 N ATOM 877 CA VAL A 56 -9.376 -10.622 -1.669 1.00 0.00 C ATOM 878 C VAL A 56 -8.454 -10.725 -0.452 1.00 0.00 C ATOM 879 O VAL A 56 -7.234 -10.622 -0.583 1.00 0.00 O ATOM 880 CB VAL A 56 -10.123 -9.288 -1.740 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.231 -8.135 -1.276 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.658 -9.035 -3.151 1.00 0.00 C ATOM 0 H VAL A 56 -11.292 -11.449 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.749 -10.676 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.976 -9.344 -1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.786 -7.199 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.921 -8.307 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.350 -8.076 -1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.185 -8.081 -3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.827 -9.008 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.344 -9.835 -3.429 1.00 0.00 H new ATOM 892 N ARG A 57 -9.070 -10.928 0.703 1.00 0.00 N ATOM 893 CA ARG A 57 -8.320 -11.047 1.941 1.00 0.00 C ATOM 894 C ARG A 57 -7.303 -12.185 1.839 1.00 0.00 C ATOM 895 O ARG A 57 -6.199 -12.087 2.373 1.00 0.00 O ATOM 896 CB ARG A 57 -9.251 -11.308 3.127 1.00 0.00 C ATOM 897 CG ARG A 57 -9.133 -10.197 4.172 1.00 0.00 C ATOM 898 CD ARG A 57 -10.465 -9.981 4.893 1.00 0.00 C ATOM 899 NE ARG A 57 -10.299 -10.216 6.345 1.00 0.00 N ATOM 900 CZ ARG A 57 -10.133 -11.426 6.896 1.00 0.00 C ATOM 901 NH1 ARG A 57 -10.112 -12.518 6.120 1.00 0.00 N ATOM 902 NH2 ARG A 57 -9.989 -11.544 8.224 1.00 0.00 N ATOM 0 H ARG A 57 -10.081 -11.013 0.807 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.799 -10.104 2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.281 -11.375 2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.006 -12.268 3.582 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.360 -10.455 4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.822 -9.270 3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.822 -8.966 4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.219 -10.657 4.491 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.312 -9.406 6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.222 -12.428 5.110 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.986 -13.439 6.539 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.006 -10.713 8.815 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.863 -12.465 8.643 1.00 0.00 H new ATOM 916 N ASP A 58 -7.712 -13.240 1.149 1.00 0.00 N ATOM 917 CA ASP A 58 -6.850 -14.397 0.970 1.00 0.00 C ATOM 918 C ASP A 58 -5.698 -14.028 0.033 1.00 0.00 C ATOM 919 O ASP A 58 -4.546 -14.371 0.296 1.00 0.00 O ATOM 920 CB ASP A 58 -7.616 -15.562 0.340 1.00 0.00 C ATOM 921 CG ASP A 58 -7.077 -16.951 0.684 1.00 0.00 C ATOM 922 OD1 ASP A 58 -5.939 -17.007 1.200 1.00 0.00 O ATOM 923 OD2 ASP A 58 -7.813 -17.927 0.424 1.00 0.00 O ATOM 0 H ASP A 58 -8.628 -13.318 0.707 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.479 -14.697 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.658 -15.505 0.655 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.604 -15.442 -0.743 1.00 0.00 H new ATOM 928 N VAL A 59 -6.048 -13.336 -1.041 1.00 0.00 N ATOM 929 CA VAL A 59 -5.058 -12.917 -2.018 1.00 0.00 C ATOM 930 C VAL A 59 -4.031 -12.007 -1.339 1.00 0.00 C ATOM 931 O VAL A 59 -2.846 -12.052 -1.663 1.00 0.00 O ATOM 932 CB VAL A 59 -5.747 -12.255 -3.212 1.00 0.00 C ATOM 933 CG1 VAL A 59 -5.507 -10.744 -3.214 1.00 0.00 C ATOM 934 CG2 VAL A 59 -5.289 -12.885 -4.529 1.00 0.00 C ATOM 0 H VAL A 59 -7.005 -13.055 -1.256 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.519 -13.780 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.820 -12.424 -3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.007 -10.297 -4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.905 -10.311 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.437 -10.546 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.794 -12.396 -5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.211 -12.762 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.535 -13.947 -4.529 1.00 0.00 H new ATOM 944 N VAL A 60 -4.525 -11.202 -0.410 1.00 0.00 N ATOM 945 CA VAL A 60 -3.666 -10.283 0.317 1.00 0.00 C ATOM 946 C VAL A 60 -2.574 -11.075 1.039 1.00 0.00 C ATOM 947 O VAL A 60 -1.416 -10.658 1.069 1.00 0.00 O ATOM 948 CB VAL A 60 -4.504 -9.421 1.264 1.00 0.00 C ATOM 949 CG1 VAL A 60 -3.611 -8.521 2.121 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.532 -8.595 0.488 1.00 0.00 C ATOM 0 H VAL A 60 -5.509 -11.167 -0.144 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.170 -9.599 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.047 -10.089 1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.231 -7.919 2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.936 -9.137 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.029 -7.865 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.114 -7.992 1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.017 -7.941 -0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.198 -9.263 -0.058 1.00 0.00 H new ATOM 960 N ARG A 61 -2.979 -12.203 1.603 1.00 0.00 N ATOM 961 CA ARG A 61 -2.051 -13.057 2.323 1.00 0.00 C ATOM 962 C ARG A 61 -0.919 -13.509 1.397 1.00 0.00 C ATOM 963 O ARG A 61 0.252 -13.448 1.767 1.00 0.00 O ATOM 964 CB ARG A 61 -2.760 -14.289 2.889 1.00 0.00 C ATOM 965 CG ARG A 61 -2.082 -14.770 4.173 1.00 0.00 C ATOM 966 CD ARG A 61 -1.233 -16.015 3.912 1.00 0.00 C ATOM 967 NE ARG A 61 -0.963 -16.721 5.185 1.00 0.00 N ATOM 968 CZ ARG A 61 -0.002 -16.367 6.049 1.00 0.00 C ATOM 969 NH1 ARG A 61 0.786 -15.317 5.784 1.00 0.00 N ATOM 970 NH2 ARG A 61 0.171 -17.066 7.181 1.00 0.00 N ATOM 0 H ARG A 61 -3.939 -12.546 1.576 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.640 -12.477 3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.804 -14.051 3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.754 -15.089 2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.454 -13.976 4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.838 -14.992 4.926 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.751 -16.680 3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.293 -15.731 3.438 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.544 -17.526 5.419 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.655 -14.785 4.923 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.517 -15.049 6.443 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.429 -17.866 7.383 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.902 -16.797 7.839 1.00 0.00 H new ATOM 984 N SER A 62 -1.309 -13.953 0.211 1.00 0.00 N ATOM 985 CA SER A 62 -0.342 -14.414 -0.771 1.00 0.00 C ATOM 986 C SER A 62 0.426 -13.224 -1.349 1.00 0.00 C ATOM 987 O SER A 62 1.605 -13.344 -1.679 1.00 0.00 O ATOM 988 CB SER A 62 -1.028 -15.199 -1.892 1.00 0.00 C ATOM 989 OG SER A 62 -0.209 -16.258 -2.378 1.00 0.00 O ATOM 0 H SER A 62 -2.282 -14.003 -0.092 1.00 0.00 H new ATOM 0 HA SER A 62 0.360 -15.082 -0.272 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.970 -15.608 -1.525 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.272 -14.523 -2.712 1.00 0.00 H new ATOM 0 HG SER A 62 -0.682 -16.736 -3.091 1.00 0.00 H new ATOM 995 N MET A 63 -0.273 -12.104 -1.453 1.00 0.00 N ATOM 996 CA MET A 63 0.329 -10.893 -1.985 1.00 0.00 C ATOM 997 C MET A 63 1.494 -10.429 -1.109 1.00 0.00 C ATOM 998 O MET A 63 2.645 -10.441 -1.542 1.00 0.00 O ATOM 999 CB MET A 63 -0.727 -9.787 -2.058 1.00 0.00 C ATOM 1000 CG MET A 63 -0.072 -8.405 -2.076 1.00 0.00 C ATOM 1001 SD MET A 63 1.004 -8.256 -3.493 1.00 0.00 S ATOM 1002 CE MET A 63 -0.195 -8.397 -4.808 1.00 0.00 C ATOM 0 H MET A 63 -1.251 -12.009 -1.178 1.00 0.00 H new ATOM 0 HA MET A 63 0.712 -11.108 -2.982 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.334 -9.917 -2.954 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.399 -9.864 -1.203 1.00 0.00 H new ATOM 0 HG2 MET A 63 -0.839 -7.631 -2.108 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.497 -8.252 -1.159 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.317 -8.609 -5.746 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.889 -9.207 -4.582 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.746 -7.461 -4.899 1.00 0.00 H new ATOM 1012 N ASP A 64 1.155 -10.031 0.109 1.00 0.00 N ATOM 1013 CA ASP A 64 2.159 -9.564 1.050 1.00 0.00 C ATOM 1014 C ASP A 64 3.220 -10.651 1.238 1.00 0.00 C ATOM 1015 O ASP A 64 4.388 -10.348 1.477 1.00 0.00 O ATOM 1016 CB ASP A 64 1.538 -9.268 2.416 1.00 0.00 C ATOM 1017 CG ASP A 64 2.141 -8.072 3.155 1.00 0.00 C ATOM 1018 OD1 ASP A 64 2.687 -7.191 2.458 1.00 0.00 O ATOM 1019 OD2 ASP A 64 2.042 -8.066 4.402 1.00 0.00 O ATOM 0 H ASP A 64 0.199 -10.022 0.466 1.00 0.00 H new ATOM 0 HA ASP A 64 2.599 -8.651 0.649 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.470 -9.093 2.283 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.640 -10.153 3.044 1.00 0.00 H new ATOM 1024 N ARG A 65 2.775 -11.893 1.122 1.00 0.00 N ATOM 1025 CA ARG A 65 3.672 -13.026 1.278 1.00 0.00 C ATOM 1026 C ARG A 65 4.651 -13.093 0.103 1.00 0.00 C ATOM 1027 O ARG A 65 5.756 -13.615 0.241 1.00 0.00 O ATOM 1028 CB ARG A 65 2.891 -14.340 1.356 1.00 0.00 C ATOM 1029 CG ARG A 65 3.785 -15.531 1.004 1.00 0.00 C ATOM 1030 CD ARG A 65 3.325 -16.795 1.734 1.00 0.00 C ATOM 1031 NE ARG A 65 4.442 -17.356 2.525 1.00 0.00 N ATOM 1032 CZ ARG A 65 4.415 -18.559 3.114 1.00 0.00 C ATOM 1033 NH1 ARG A 65 3.328 -19.335 3.005 1.00 0.00 N ATOM 1034 NH2 ARG A 65 5.476 -18.988 3.814 1.00 0.00 N ATOM 0 H ARG A 65 1.806 -12.140 0.922 1.00 0.00 H new ATOM 0 HA ARG A 65 4.223 -12.887 2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.487 -14.468 2.360 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.042 -14.304 0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.764 -15.700 -0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.818 -15.307 1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.486 -16.562 2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.972 -17.533 1.014 1.00 0.00 H new ATOM 0 HE ARG A 65 5.285 -16.792 2.628 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.521 -19.010 2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.308 -20.251 3.454 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.304 -18.398 3.898 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.455 -19.904 4.262 1.00 0.00 H new ATOM 1048 N LYS A 66 4.209 -12.556 -1.025 1.00 0.00 N ATOM 1049 CA LYS A 66 5.033 -12.547 -2.222 1.00 0.00 C ATOM 1050 C LYS A 66 5.917 -11.299 -2.219 1.00 0.00 C ATOM 1051 O LYS A 66 7.065 -11.346 -2.657 1.00 0.00 O ATOM 1052 CB LYS A 66 4.161 -12.681 -3.472 1.00 0.00 C ATOM 1053 CG LYS A 66 4.985 -12.459 -4.742 1.00 0.00 C ATOM 1054 CD LYS A 66 5.150 -13.764 -5.524 1.00 0.00 C ATOM 1055 CE LYS A 66 4.074 -13.895 -6.604 1.00 0.00 C ATOM 1056 NZ LYS A 66 4.503 -14.852 -7.649 1.00 0.00 N ATOM 0 H LYS A 66 3.291 -12.124 -1.135 1.00 0.00 H new ATOM 0 HA LYS A 66 5.700 -13.409 -2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.706 -13.671 -3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.347 -11.957 -3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.498 -11.714 -5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.965 -12.062 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.138 -13.794 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.090 -14.612 -4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.139 -14.232 -6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.880 -12.921 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.082 -14.582 -8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.540 -14.837 -7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.189 -15.810 -7.392 1.00 0.00 H new ATOM 1070 N SER A 67 5.348 -10.211 -1.721 1.00 0.00 N ATOM 1071 CA SER A 67 6.070 -8.953 -1.655 1.00 0.00 C ATOM 1072 C SER A 67 6.308 -8.561 -0.195 1.00 0.00 C ATOM 1073 O SER A 67 6.175 -7.393 0.167 1.00 0.00 O ATOM 1074 CB SER A 67 5.310 -7.843 -2.385 1.00 0.00 C ATOM 1075 OG SER A 67 5.861 -6.556 -2.120 1.00 0.00 O ATOM 0 H SER A 67 4.395 -10.175 -1.359 1.00 0.00 H new ATOM 0 HA SER A 67 7.032 -9.085 -2.150 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.333 -8.033 -3.458 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.264 -7.859 -2.080 1.00 0.00 H new ATOM 0 HG SER A 67 5.928 -6.422 -1.152 1.00 0.00 H new ATOM 1316 N GLN A 83 32.761 -2.376 -5.024 1.00 0.00 N ATOM 1317 CA GLN A 83 32.844 -1.596 -6.247 1.00 0.00 C ATOM 1318 C GLN A 83 34.306 -1.411 -6.660 1.00 0.00 C ATOM 1319 O GLN A 83 35.200 -1.422 -5.814 1.00 0.00 O ATOM 1320 CB GLN A 83 32.145 -0.245 -6.085 1.00 0.00 C ATOM 1321 CG GLN A 83 31.630 0.271 -7.431 1.00 0.00 C ATOM 1322 CD GLN A 83 30.678 1.452 -7.237 1.00 0.00 C ATOM 1323 OE1 GLN A 83 29.546 1.306 -6.806 1.00 0.00 O ATOM 1324 NE2 GLN A 83 31.198 2.628 -7.579 1.00 0.00 N ATOM 0 HA GLN A 83 32.329 -2.141 -7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 83 31.314 -0.343 -5.387 1.00 0.00 H new ATOM 0 HB3 GLN A 83 32.838 0.478 -5.655 1.00 0.00 H new ATOM 0 HG2 GLN A 83 32.471 0.576 -8.054 1.00 0.00 H new ATOM 0 HG3 GLN A 83 31.116 -0.532 -7.960 1.00 0.00 H new ATOM 0 HE21 GLN A 83 32.153 2.680 -7.933 1.00 0.00 H new ATOM 0 HE22 GLN A 83 30.642 3.478 -7.487 1.00 0.00 H new ATOM 1333 N SER A 84 34.505 -1.246 -7.959 1.00 0.00 N ATOM 1334 CA SER A 84 35.843 -1.059 -8.494 1.00 0.00 C ATOM 1335 C SER A 84 35.766 -0.646 -9.965 1.00 0.00 C ATOM 1336 O SER A 84 34.697 -0.693 -10.571 1.00 0.00 O ATOM 1337 CB SER A 84 36.679 -2.331 -8.342 1.00 0.00 C ATOM 1338 OG SER A 84 36.458 -3.245 -9.413 1.00 0.00 O ATOM 0 H SER A 84 33.762 -1.238 -8.657 1.00 0.00 H new ATOM 0 HA SER A 84 36.331 -0.266 -7.927 1.00 0.00 H new ATOM 0 HB2 SER A 84 37.736 -2.068 -8.302 1.00 0.00 H new ATOM 0 HB3 SER A 84 36.435 -2.815 -7.396 1.00 0.00 H new ATOM 0 HG SER A 84 37.011 -4.044 -9.281 1.00 0.00 H new ATOM 1344 N THR A 85 36.914 -0.250 -10.497 1.00 0.00 N ATOM 1345 CA THR A 85 36.989 0.170 -11.885 1.00 0.00 C ATOM 1346 C THR A 85 38.447 0.380 -12.300 1.00 0.00 C ATOM 1347 O THR A 85 39.361 -0.094 -11.629 1.00 0.00 O ATOM 1348 CB THR A 85 36.125 1.421 -12.048 1.00 0.00 C ATOM 1349 OG1 THR A 85 35.999 1.575 -13.459 1.00 0.00 O ATOM 1350 CG2 THR A 85 36.844 2.693 -11.596 1.00 0.00 C ATOM 0 H THR A 85 37.799 -0.212 -9.991 1.00 0.00 H new ATOM 0 HA THR A 85 36.601 -0.599 -12.553 1.00 0.00 H new ATOM 0 HB THR A 85 35.205 1.303 -11.476 1.00 0.00 H new ATOM 0 HG1 THR A 85 35.451 2.364 -13.654 1.00 0.00 H new ATOM 0 HG21 THR A 85 36.186 3.551 -11.733 1.00 0.00 H new ATOM 0 HG22 THR A 85 37.111 2.605 -10.543 1.00 0.00 H new ATOM 0 HG23 THR A 85 37.748 2.830 -12.189 1.00 0.00 H new ATOM 1358 N ASN A 86 38.618 1.093 -13.404 1.00 0.00 N ATOM 1359 CA ASN A 86 39.948 1.373 -13.916 1.00 0.00 C ATOM 1360 C ASN A 86 39.831 2.090 -15.262 1.00 0.00 C ATOM 1361 O ASN A 86 38.754 2.134 -15.855 1.00 0.00 O ATOM 1362 CB ASN A 86 40.737 0.080 -14.135 1.00 0.00 C ATOM 1363 CG ASN A 86 42.210 0.266 -13.765 1.00 0.00 C ATOM 1364 OD1 ASN A 86 42.773 1.343 -13.877 1.00 0.00 O ATOM 1365 ND2 ASN A 86 42.800 -0.839 -13.319 1.00 0.00 N ATOM 0 H ASN A 86 37.857 1.485 -13.958 1.00 0.00 H new ATOM 0 HA ASN A 86 40.467 1.993 -13.185 1.00 0.00 H new ATOM 0 HB2 ASN A 86 40.306 -0.720 -13.533 1.00 0.00 H new ATOM 0 HB3 ASN A 86 40.656 -0.227 -15.178 1.00 0.00 H new ATOM 0 HD21 ASN A 86 43.782 -0.818 -13.046 1.00 0.00 H new ATOM 0 HD22 ASN A 86 42.270 -1.708 -13.250 1.00 0.00 H new ATOM 1372 N THR A 87 40.955 2.633 -15.707 1.00 0.00 N ATOM 1373 CA THR A 87 40.993 3.346 -16.972 1.00 0.00 C ATOM 1374 C THR A 87 42.404 3.312 -17.562 1.00 0.00 C ATOM 1375 O THR A 87 43.316 2.742 -16.965 1.00 0.00 O ATOM 1376 CB THR A 87 40.469 4.763 -16.732 1.00 0.00 C ATOM 1377 OG1 THR A 87 41.166 5.199 -15.568 1.00 0.00 O ATOM 1378 CG2 THR A 87 38.998 4.781 -16.312 1.00 0.00 C ATOM 0 H THR A 87 41.847 2.593 -15.213 1.00 0.00 H new ATOM 0 HA THR A 87 40.353 2.868 -17.714 1.00 0.00 H new ATOM 0 HB THR A 87 40.595 5.354 -17.639 1.00 0.00 H new ATOM 0 HG1 THR A 87 40.887 6.111 -15.342 1.00 0.00 H new ATOM 0 HG21 THR A 87 38.677 5.811 -16.155 1.00 0.00 H new ATOM 0 HG22 THR A 87 38.390 4.327 -17.095 1.00 0.00 H new ATOM 0 HG23 THR A 87 38.877 4.218 -15.387 1.00 0.00 H new ATOM 1386 N ALA A 88 42.539 3.929 -18.727 1.00 0.00 N ATOM 1387 CA ALA A 88 43.823 3.976 -19.404 1.00 0.00 C ATOM 1388 C ALA A 88 43.691 4.804 -20.683 1.00 0.00 C ATOM 1389 O ALA A 88 43.515 4.252 -21.769 1.00 0.00 O ATOM 1390 CB ALA A 88 44.309 2.551 -19.679 1.00 0.00 C ATOM 0 H ALA A 88 41.780 4.400 -19.219 1.00 0.00 H new ATOM 0 HA ALA A 88 44.570 4.459 -18.775 1.00 0.00 H new ATOM 0 HB1 ALA A 88 45.273 2.587 -20.187 1.00 0.00 H new ATOM 0 HB2 ALA A 88 44.416 2.015 -18.736 1.00 0.00 H new ATOM 0 HB3 ALA A 88 43.585 2.035 -20.310 1.00 0.00 H new ATOM 1396 N VAL A 89 43.780 6.115 -20.514 1.00 0.00 N ATOM 1397 CA VAL A 89 43.671 7.024 -21.642 1.00 0.00 C ATOM 1398 C VAL A 89 44.595 8.223 -21.417 1.00 0.00 C ATOM 1399 O VAL A 89 44.337 9.055 -20.548 1.00 0.00 O ATOM 1400 CB VAL A 89 42.210 7.427 -21.851 1.00 0.00 C ATOM 1401 CG1 VAL A 89 41.701 8.271 -20.681 1.00 0.00 C ATOM 1402 CG2 VAL A 89 42.029 8.165 -23.179 1.00 0.00 C ATOM 0 H VAL A 89 43.926 6.569 -19.613 1.00 0.00 H new ATOM 0 HA VAL A 89 43.993 6.533 -22.560 1.00 0.00 H new ATOM 0 HB VAL A 89 41.614 6.515 -21.891 1.00 0.00 H new ATOM 0 HG11 VAL A 89 40.660 8.544 -20.855 1.00 0.00 H new ATOM 0 HG12 VAL A 89 41.776 7.696 -19.758 1.00 0.00 H new ATOM 0 HG13 VAL A 89 42.304 9.175 -20.595 1.00 0.00 H new ATOM 0 HG21 VAL A 89 40.982 8.440 -23.303 1.00 0.00 H new ATOM 0 HG22 VAL A 89 42.643 9.065 -23.182 1.00 0.00 H new ATOM 0 HG23 VAL A 89 42.333 7.516 -24.000 1.00 0.00 H new ATOM 1412 N THR A 90 45.652 8.273 -22.213 1.00 0.00 N ATOM 1413 CA THR A 90 46.616 9.355 -22.111 1.00 0.00 C ATOM 1414 C THR A 90 47.196 9.685 -23.489 1.00 0.00 C ATOM 1415 O THR A 90 47.191 8.843 -24.386 1.00 0.00 O ATOM 1416 CB THR A 90 47.677 8.949 -21.087 1.00 0.00 C ATOM 1417 OG1 THR A 90 47.011 9.063 -19.833 1.00 0.00 O ATOM 1418 CG2 THR A 90 48.820 9.961 -20.994 1.00 0.00 C ATOM 0 H THR A 90 45.862 7.581 -22.932 1.00 0.00 H new ATOM 0 HA THR A 90 46.143 10.274 -21.763 1.00 0.00 H new ATOM 0 HB THR A 90 48.079 7.971 -21.351 1.00 0.00 H new ATOM 0 HG1 THR A 90 47.627 8.816 -19.112 1.00 0.00 H new ATOM 0 HG21 THR A 90 49.545 9.624 -20.253 1.00 0.00 H new ATOM 0 HG22 THR A 90 49.308 10.049 -21.965 1.00 0.00 H new ATOM 0 HG23 THR A 90 48.423 10.932 -20.698 1.00 0.00 H new ATOM 1426 N LEU A 91 47.681 10.911 -23.612 1.00 0.00 N ATOM 1427 CA LEU A 91 48.263 11.362 -24.866 1.00 0.00 C ATOM 1428 C LEU A 91 49.765 11.585 -24.674 1.00 0.00 C ATOM 1429 O LEU A 91 50.187 12.179 -23.682 1.00 0.00 O ATOM 1430 CB LEU A 91 47.521 12.593 -25.388 1.00 0.00 C ATOM 1431 CG LEU A 91 48.373 13.627 -26.130 1.00 0.00 C ATOM 1432 CD1 LEU A 91 48.887 13.062 -27.456 1.00 0.00 C ATOM 1433 CD2 LEU A 91 47.604 14.935 -26.322 1.00 0.00 C ATOM 0 H LEU A 91 47.683 11.606 -22.866 1.00 0.00 H new ATOM 0 HA LEU A 91 48.149 10.599 -25.636 1.00 0.00 H new ATOM 0 HB2 LEU A 91 46.728 12.258 -26.057 1.00 0.00 H new ATOM 0 HB3 LEU A 91 47.039 13.087 -24.544 1.00 0.00 H new ATOM 0 HG LEU A 91 49.245 13.855 -25.518 1.00 0.00 H new ATOM 0 HD11 LEU A 91 49.489 13.816 -27.964 1.00 0.00 H new ATOM 0 HD12 LEU A 91 49.497 12.179 -27.263 1.00 0.00 H new ATOM 0 HD13 LEU A 91 48.041 12.788 -28.087 1.00 0.00 H new ATOM 0 HD21 LEU A 91 48.232 15.652 -26.851 1.00 0.00 H new ATOM 0 HD22 LEU A 91 46.702 14.745 -26.903 1.00 0.00 H new ATOM 0 HD23 LEU A 91 47.330 15.342 -25.349 1.00 0.00 H new ATOM 1445 N THR A 92 50.531 11.098 -25.638 1.00 0.00 N ATOM 1446 CA THR A 92 51.976 11.237 -25.589 1.00 0.00 C ATOM 1447 C THR A 92 52.365 12.705 -25.407 1.00 0.00 C ATOM 1448 O THR A 92 51.670 13.599 -25.885 1.00 0.00 O ATOM 1449 CB THR A 92 52.556 10.607 -26.857 1.00 0.00 C ATOM 1450 OG1 THR A 92 52.102 11.459 -27.905 1.00 0.00 O ATOM 1451 CG2 THR A 92 51.925 9.251 -27.179 1.00 0.00 C ATOM 0 H THR A 92 50.178 10.606 -26.459 1.00 0.00 H new ATOM 0 HA THR A 92 52.394 10.714 -24.729 1.00 0.00 H new ATOM 0 HB THR A 92 53.633 10.487 -26.743 1.00 0.00 H new ATOM 0 HG1 THR A 92 52.434 11.125 -28.765 1.00 0.00 H new ATOM 0 HG21 THR A 92 52.372 8.848 -28.088 1.00 0.00 H new ATOM 0 HG22 THR A 92 52.100 8.563 -26.352 1.00 0.00 H new ATOM 0 HG23 THR A 92 50.852 9.375 -27.327 1.00 0.00 H new