USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=20 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 26 THR OG1 : rot 180:sc= 0.0116 USER MOD Set 1.3: A 67 SER OG : rot -60:sc= 0.271 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0209 K(o=-0.021,f=-1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.507 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -117:sc= -0.467 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -104:sc= 0.842 USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 0.112 (180deg=0.0684) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -3.04! C(o=-3!,f=-3!) 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 167:sc= -3.42! (180deg=-4.02!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0439 X(o=-0.044,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.7!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 149 N CYS A 11 -7.981 3.919 -9.247 1.00 0.00 N ATOM 150 CA CYS A 11 -8.617 2.809 -9.936 1.00 0.00 C ATOM 151 C CYS A 11 -10.042 3.226 -10.307 1.00 0.00 C ATOM 152 O CYS A 11 -10.539 4.243 -9.825 1.00 0.00 O ATOM 153 CB CYS A 11 -8.597 1.533 -9.093 1.00 0.00 C ATOM 154 SG CYS A 11 -10.082 0.477 -9.262 1.00 0.00 S ATOM 0 HA CYS A 11 -8.060 2.575 -10.843 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.719 0.948 -9.367 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.482 1.809 -8.045 1.00 0.00 H new ATOM 159 N VAL A 12 -10.658 2.420 -11.158 1.00 0.00 N ATOM 160 CA VAL A 12 -12.015 2.692 -11.599 1.00 0.00 C ATOM 161 C VAL A 12 -12.992 2.345 -10.473 1.00 0.00 C ATOM 162 O VAL A 12 -13.328 3.198 -9.653 1.00 0.00 O ATOM 163 CB VAL A 12 -12.306 1.936 -12.897 1.00 0.00 C ATOM 164 CG1 VAL A 12 -13.773 2.091 -13.304 1.00 0.00 C ATOM 165 CG2 VAL A 12 -11.374 2.396 -14.020 1.00 0.00 C ATOM 0 H VAL A 12 -10.242 1.577 -11.554 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.138 3.752 -11.822 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.118 0.877 -12.718 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.954 1.544 -14.230 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.413 1.693 -12.517 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.999 3.146 -13.456 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.602 1.843 -14.931 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.516 3.462 -14.197 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.339 2.211 -13.733 1.00 0.00 H new ATOM 175 N SER A 13 -13.419 1.090 -10.470 1.00 0.00 N ATOM 176 CA SER A 13 -14.350 0.620 -9.459 1.00 0.00 C ATOM 177 C SER A 13 -13.696 -0.479 -8.617 1.00 0.00 C ATOM 178 O SER A 13 -12.483 -0.677 -8.681 1.00 0.00 O ATOM 179 CB SER A 13 -15.640 0.102 -10.097 1.00 0.00 C ATOM 180 OG SER A 13 -16.745 0.965 -9.841 1.00 0.00 O ATOM 0 H SER A 13 -13.137 0.385 -11.151 1.00 0.00 H new ATOM 0 HA SER A 13 -14.607 1.460 -8.814 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.498 0.004 -11.173 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.861 -0.894 -9.712 1.00 0.00 H new ATOM 0 HG SER A 13 -17.550 0.601 -10.266 1.00 0.00 H new ATOM 186 N LEU A 14 -14.529 -1.164 -7.847 1.00 0.00 N ATOM 187 CA LEU A 14 -14.047 -2.237 -6.994 1.00 0.00 C ATOM 188 C LEU A 14 -14.126 -3.562 -7.755 1.00 0.00 C ATOM 189 O LEU A 14 -14.984 -3.736 -8.619 1.00 0.00 O ATOM 190 CB LEU A 14 -14.804 -2.245 -5.664 1.00 0.00 C ATOM 191 CG LEU A 14 -14.549 -1.053 -4.740 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.449 -1.114 -3.504 1.00 0.00 C ATOM 193 CD2 LEU A 14 -13.068 -0.954 -4.367 1.00 0.00 C ATOM 0 H LEU A 14 -15.534 -0.997 -7.796 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.000 -2.079 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.872 -2.292 -5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.545 -3.158 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.806 -0.142 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.247 -0.255 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.494 -1.098 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.248 -2.032 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.915 -0.098 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.760 -1.865 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.473 -0.828 -5.271 1.00 0.00 H new ATOM 205 N THR A 15 -13.219 -4.463 -7.405 1.00 0.00 N ATOM 206 CA THR A 15 -13.176 -5.768 -8.044 1.00 0.00 C ATOM 207 C THR A 15 -13.514 -5.644 -9.531 1.00 0.00 C ATOM 208 O THR A 15 -13.050 -4.725 -10.204 1.00 0.00 O ATOM 209 CB THR A 15 -14.119 -6.700 -7.282 1.00 0.00 C ATOM 210 OG1 THR A 15 -14.051 -6.237 -5.936 1.00 0.00 O ATOM 211 CG2 THR A 15 -13.593 -8.134 -7.210 1.00 0.00 C ATOM 0 H THR A 15 -12.509 -4.315 -6.688 1.00 0.00 H new ATOM 0 HA THR A 15 -12.174 -6.195 -8.005 1.00 0.00 H new ATOM 0 HB THR A 15 -15.098 -6.697 -7.761 1.00 0.00 H new ATOM 0 HG1 THR A 15 -14.635 -6.785 -5.372 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.300 -8.754 -6.659 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.474 -8.529 -8.219 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.629 -8.143 -6.701 1.00 0.00 H new ATOM 219 N THR A 16 -14.321 -6.584 -10.001 1.00 0.00 N ATOM 220 CA THR A 16 -14.728 -6.592 -11.397 1.00 0.00 C ATOM 221 C THR A 16 -13.694 -7.331 -12.249 1.00 0.00 C ATOM 222 O THR A 16 -13.762 -7.304 -13.477 1.00 0.00 O ATOM 223 CB THR A 16 -14.950 -5.143 -11.832 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.077 -5.211 -12.704 1.00 0.00 O ATOM 225 CG2 THR A 16 -13.822 -4.619 -12.724 1.00 0.00 C ATOM 0 H THR A 16 -14.704 -7.345 -9.441 1.00 0.00 H new ATOM 0 HA THR A 16 -15.663 -7.135 -11.534 1.00 0.00 H new ATOM 0 HB THR A 16 -15.039 -4.510 -10.950 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.292 -4.313 -13.032 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.030 -3.586 -13.004 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.878 -4.665 -12.181 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.754 -5.232 -13.623 1.00 0.00 H new ATOM 233 N GLN A 17 -12.759 -7.973 -11.563 1.00 0.00 N ATOM 234 CA GLN A 17 -11.711 -8.718 -12.242 1.00 0.00 C ATOM 235 C GLN A 17 -10.769 -9.358 -11.220 1.00 0.00 C ATOM 236 O GLN A 17 -9.962 -8.670 -10.597 1.00 0.00 O ATOM 237 CB GLN A 17 -10.941 -7.821 -13.212 1.00 0.00 C ATOM 238 CG GLN A 17 -10.412 -8.624 -14.401 1.00 0.00 C ATOM 239 CD GLN A 17 -9.968 -7.699 -15.535 1.00 0.00 C ATOM 240 OE1 GLN A 17 -10.516 -6.630 -15.751 1.00 0.00 O ATOM 241 NE2 GLN A 17 -8.945 -8.167 -16.246 1.00 0.00 N ATOM 0 H GLN A 17 -12.705 -7.993 -10.545 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.176 -9.512 -12.826 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.592 -7.023 -13.569 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.110 -7.346 -12.691 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.573 -9.242 -14.082 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.187 -9.300 -14.761 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.532 -9.070 -16.012 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.574 -7.623 -17.025 1.00 0.00 H new ATOM 250 N ARG A 18 -10.902 -10.669 -11.082 1.00 0.00 N ATOM 251 CA ARG A 18 -10.073 -11.410 -10.146 1.00 0.00 C ATOM 252 C ARG A 18 -8.699 -11.686 -10.760 1.00 0.00 C ATOM 253 O ARG A 18 -8.561 -12.559 -11.615 1.00 0.00 O ATOM 254 CB ARG A 18 -10.728 -12.738 -9.762 1.00 0.00 C ATOM 255 CG ARG A 18 -10.757 -12.915 -8.243 1.00 0.00 C ATOM 256 CD ARG A 18 -10.678 -14.395 -7.861 1.00 0.00 C ATOM 257 NE ARG A 18 -9.346 -14.701 -7.294 1.00 0.00 N ATOM 258 CZ ARG A 18 -8.799 -15.924 -7.279 1.00 0.00 C ATOM 259 NH1 ARG A 18 -9.467 -16.964 -7.799 1.00 0.00 N ATOM 260 NH2 ARG A 18 -7.584 -16.110 -6.743 1.00 0.00 N ATOM 0 H ARG A 18 -11.571 -11.237 -11.602 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.959 -10.802 -9.249 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.744 -12.774 -10.155 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.180 -13.563 -10.218 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.923 -12.375 -7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.672 -12.480 -7.840 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.455 -14.634 -7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.860 -15.016 -8.738 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.811 -13.933 -6.889 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.392 -16.824 -8.206 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.050 -17.895 -7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.075 -15.320 -6.346 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.169 -17.041 -6.732 1.00 0.00 H new ATOM 274 N LEU A 19 -7.717 -10.926 -10.300 1.00 0.00 N ATOM 275 CA LEU A 19 -6.358 -11.077 -10.793 1.00 0.00 C ATOM 276 C LEU A 19 -5.563 -11.953 -9.822 1.00 0.00 C ATOM 277 O LEU A 19 -5.706 -11.828 -8.607 1.00 0.00 O ATOM 278 CB LEU A 19 -5.724 -9.709 -11.046 1.00 0.00 C ATOM 279 CG LEU A 19 -5.881 -9.149 -12.462 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.324 -8.714 -12.722 1.00 0.00 C ATOM 281 CD2 LEU A 19 -4.885 -8.015 -12.717 1.00 0.00 C ATOM 0 H LEU A 19 -7.835 -10.203 -9.590 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.357 -11.586 -11.757 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.155 -8.995 -10.344 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.660 -9.776 -10.819 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.652 -9.944 -13.171 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.408 -8.320 -13.735 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.988 -9.571 -12.609 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.605 -7.941 -12.007 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.018 -7.635 -13.730 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.059 -7.211 -12.002 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.868 -8.391 -12.601 1.00 0.00 H new ATOM 293 N PRO A 20 -4.720 -12.844 -10.410 1.00 0.00 N ATOM 294 CA PRO A 20 -3.901 -13.740 -9.611 1.00 0.00 C ATOM 295 C PRO A 20 -2.725 -12.992 -8.979 1.00 0.00 C ATOM 296 O PRO A 20 -2.037 -12.227 -9.653 1.00 0.00 O ATOM 297 CB PRO A 20 -3.463 -14.833 -10.570 1.00 0.00 C ATOM 298 CG PRO A 20 -3.661 -14.267 -11.967 1.00 0.00 C ATOM 299 CD PRO A 20 -4.524 -13.021 -11.846 1.00 0.00 C ATOM 0 HA PRO A 20 -4.444 -14.164 -8.766 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.421 -15.104 -10.403 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.055 -15.737 -10.428 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.700 -14.023 -12.420 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.141 -15.003 -12.613 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.033 -12.154 -12.288 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.475 -13.146 -12.363 1.00 0.00 H new ATOM 307 N VAL A 21 -2.532 -13.238 -7.691 1.00 0.00 N ATOM 308 CA VAL A 21 -1.453 -12.598 -6.961 1.00 0.00 C ATOM 309 C VAL A 21 -0.141 -12.792 -7.724 1.00 0.00 C ATOM 310 O VAL A 21 0.743 -11.938 -7.676 1.00 0.00 O ATOM 311 CB VAL A 21 -1.397 -13.135 -5.529 1.00 0.00 C ATOM 312 CG1 VAL A 21 -0.040 -12.843 -4.885 1.00 0.00 C ATOM 313 CG2 VAL A 21 -2.538 -12.566 -4.685 1.00 0.00 C ATOM 0 H VAL A 21 -3.106 -13.872 -7.135 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.629 -11.525 -6.884 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.520 -14.217 -5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.028 -13.235 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.749 -13.319 -5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.127 -11.766 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.475 -12.964 -3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.460 -11.479 -4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.493 -12.849 -5.127 1.00 0.00 H new ATOM 323 N SER A 22 -0.055 -13.922 -8.410 1.00 0.00 N ATOM 324 CA SER A 22 1.134 -14.240 -9.183 1.00 0.00 C ATOM 325 C SER A 22 1.348 -13.187 -10.271 1.00 0.00 C ATOM 326 O SER A 22 2.472 -12.978 -10.726 1.00 0.00 O ATOM 327 CB SER A 22 1.031 -15.634 -9.805 1.00 0.00 C ATOM 328 OG SER A 22 1.716 -15.715 -11.052 1.00 0.00 O ATOM 0 H SER A 22 -0.789 -14.629 -8.447 1.00 0.00 H new ATOM 0 HA SER A 22 1.991 -14.236 -8.509 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.445 -16.370 -9.116 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.019 -15.889 -9.951 1.00 0.00 H new ATOM 0 HG SER A 22 1.628 -16.621 -11.415 1.00 0.00 H new ATOM 334 N ARG A 23 0.251 -12.552 -10.660 1.00 0.00 N ATOM 335 CA ARG A 23 0.305 -11.526 -11.687 1.00 0.00 C ATOM 336 C ARG A 23 0.423 -10.141 -11.048 1.00 0.00 C ATOM 337 O ARG A 23 0.964 -9.218 -11.654 1.00 0.00 O ATOM 338 CB ARG A 23 -0.942 -11.567 -12.572 1.00 0.00 C ATOM 339 CG ARG A 23 -0.568 -11.789 -14.038 1.00 0.00 C ATOM 340 CD ARG A 23 -0.569 -13.278 -14.386 1.00 0.00 C ATOM 341 NE ARG A 23 -1.181 -13.488 -15.717 1.00 0.00 N ATOM 342 CZ ARG A 23 -2.494 -13.385 -15.964 1.00 0.00 C ATOM 343 NH1 ARG A 23 -3.340 -13.077 -14.973 1.00 0.00 N ATOM 344 NH2 ARG A 23 -2.959 -13.592 -17.204 1.00 0.00 N ATOM 0 H ARG A 23 -0.680 -12.729 -10.282 1.00 0.00 H new ATOM 0 HA ARG A 23 1.182 -11.721 -12.305 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.604 -12.366 -12.237 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.494 -10.633 -12.472 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.273 -11.262 -14.680 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.418 -11.367 -14.233 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.451 -13.661 -14.382 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.122 -13.836 -13.630 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.565 -13.726 -16.495 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.985 -12.921 -14.030 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.339 -12.999 -15.161 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.314 -13.828 -17.958 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.958 -13.514 -17.394 1.00 0.00 H new ATOM 358 N ILE A 24 -0.092 -10.039 -9.832 1.00 0.00 N ATOM 359 CA ILE A 24 -0.052 -8.783 -9.104 1.00 0.00 C ATOM 360 C ILE A 24 1.310 -8.639 -8.419 1.00 0.00 C ATOM 361 O ILE A 24 1.865 -9.617 -7.923 1.00 0.00 O ATOM 362 CB ILE A 24 -1.238 -8.681 -8.143 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.526 -9.165 -8.810 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.375 -7.261 -7.590 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.616 -9.429 -7.768 1.00 0.00 C ATOM 0 H ILE A 24 -0.540 -10.807 -9.332 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.155 -7.942 -9.790 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.049 -9.339 -7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.873 -8.418 -9.524 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.328 -10.077 -9.374 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.225 -7.216 -6.910 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.466 -6.990 -7.053 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.531 -6.564 -8.413 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.522 -9.772 -8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.275 -10.194 -7.070 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.829 -8.509 -7.223 1.00 0.00 H new ATOM 377 N LYS A 25 1.806 -7.411 -8.414 1.00 0.00 N ATOM 378 CA LYS A 25 3.091 -7.126 -7.798 1.00 0.00 C ATOM 379 C LYS A 25 2.881 -6.785 -6.322 1.00 0.00 C ATOM 380 O LYS A 25 3.124 -7.615 -5.448 1.00 0.00 O ATOM 381 CB LYS A 25 3.832 -6.039 -8.581 1.00 0.00 C ATOM 382 CG LYS A 25 5.346 -6.179 -8.415 1.00 0.00 C ATOM 383 CD LYS A 25 5.749 -6.075 -6.943 1.00 0.00 C ATOM 384 CE LYS A 25 6.005 -7.460 -6.345 1.00 0.00 C ATOM 385 NZ LYS A 25 7.407 -7.575 -5.887 1.00 0.00 N ATOM 0 H LYS A 25 1.342 -6.602 -8.826 1.00 0.00 H new ATOM 0 HA LYS A 25 3.733 -8.006 -7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.571 -6.105 -9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.514 -5.056 -8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.672 -7.138 -8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.852 -5.403 -8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.647 -5.464 -6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.962 -5.572 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.328 -7.632 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.795 -8.228 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.564 -8.521 -5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.048 -7.431 -6.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.596 -6.854 -5.162 1.00 0.00 H new ATOM 399 N THR A 26 2.428 -5.561 -6.089 1.00 0.00 N ATOM 400 CA THR A 26 2.182 -5.100 -4.733 1.00 0.00 C ATOM 401 C THR A 26 0.747 -4.584 -4.598 1.00 0.00 C ATOM 402 O THR A 26 0.014 -4.513 -5.583 1.00 0.00 O ATOM 403 CB THR A 26 3.239 -4.049 -4.391 1.00 0.00 C ATOM 404 OG1 THR A 26 3.292 -4.060 -2.967 1.00 0.00 O ATOM 405 CG2 THR A 26 2.788 -2.629 -4.736 1.00 0.00 C ATOM 0 H THR A 26 2.225 -4.875 -6.816 1.00 0.00 H new ATOM 0 HA THR A 26 2.271 -5.916 -4.016 1.00 0.00 H new ATOM 0 HB THR A 26 4.161 -4.276 -4.926 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.955 -3.407 -2.659 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.576 -1.923 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.583 -2.562 -5.804 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.884 -2.389 -4.177 1.00 0.00 H new ATOM 413 N TYR A 27 0.390 -4.238 -3.370 1.00 0.00 N ATOM 414 CA TYR A 27 -0.944 -3.731 -3.093 1.00 0.00 C ATOM 415 C TYR A 27 -0.906 -2.656 -2.005 1.00 0.00 C ATOM 416 O TYR A 27 0.057 -2.571 -1.244 1.00 0.00 O ATOM 417 CB TYR A 27 -1.752 -4.927 -2.585 1.00 0.00 C ATOM 418 CG TYR A 27 -1.504 -5.264 -1.113 1.00 0.00 C ATOM 419 CD1 TYR A 27 -0.318 -5.859 -0.732 1.00 0.00 C ATOM 420 CD2 TYR A 27 -2.466 -4.975 -0.167 1.00 0.00 C ATOM 421 CE1 TYR A 27 -0.085 -6.177 0.653 1.00 0.00 C ATOM 422 CE2 TYR A 27 -2.233 -5.292 1.217 1.00 0.00 C ATOM 423 CZ TYR A 27 -1.053 -5.878 1.559 1.00 0.00 C ATOM 424 OH TYR A 27 -0.833 -6.178 2.868 1.00 0.00 O ATOM 0 H TYR A 27 1.001 -4.299 -2.555 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.378 -3.283 -3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.813 -4.722 -2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.512 -5.799 -3.193 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.435 -6.086 -1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.394 -4.511 -0.466 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.838 -6.643 0.965 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.977 -5.070 1.967 1.00 0.00 H new ATOM 0 HH TYR A 27 -1.610 -5.907 3.401 1.00 0.00 H new ATOM 434 N THR A 28 -1.966 -1.862 -1.967 1.00 0.00 N ATOM 435 CA THR A 28 -2.067 -0.796 -0.985 1.00 0.00 C ATOM 436 C THR A 28 -3.492 -0.710 -0.435 1.00 0.00 C ATOM 437 O THR A 28 -4.451 -0.610 -1.199 1.00 0.00 O ATOM 438 CB THR A 28 -1.591 0.501 -1.645 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.309 0.734 -1.067 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.420 1.713 -1.216 1.00 0.00 C ATOM 0 H THR A 28 -2.762 -1.936 -2.600 1.00 0.00 H new ATOM 0 HA THR A 28 -1.431 -0.992 -0.122 1.00 0.00 H new ATOM 0 HB THR A 28 -1.636 0.396 -2.729 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.074 1.555 -1.440 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.042 2.607 -1.712 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.462 1.558 -1.494 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.347 1.840 -0.136 1.00 0.00 H new ATOM 448 N ILE A 29 -3.586 -0.752 0.885 1.00 0.00 N ATOM 449 CA ILE A 29 -4.877 -0.681 1.546 1.00 0.00 C ATOM 450 C ILE A 29 -5.021 0.681 2.231 1.00 0.00 C ATOM 451 O ILE A 29 -4.082 1.165 2.860 1.00 0.00 O ATOM 452 CB ILE A 29 -5.061 -1.868 2.495 1.00 0.00 C ATOM 453 CG1 ILE A 29 -5.168 -3.180 1.715 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.260 -1.651 3.419 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.414 -4.359 2.658 1.00 0.00 C ATOM 0 H ILE A 29 -2.788 -0.834 1.515 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.682 -0.759 0.816 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.177 -1.940 3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.981 -3.112 0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.251 -3.347 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.368 -2.509 4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.103 -0.750 4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.164 -1.539 2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.486 -5.279 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.588 -4.439 3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.344 -4.200 3.204 1.00 0.00 H new ATOM 467 N THR A 30 -6.204 1.259 2.085 1.00 0.00 N ATOM 468 CA THR A 30 -6.483 2.554 2.681 1.00 0.00 C ATOM 469 C THR A 30 -7.425 2.400 3.876 1.00 0.00 C ATOM 470 O THR A 30 -8.065 1.362 4.037 1.00 0.00 O ATOM 471 CB THR A 30 -7.035 3.470 1.586 1.00 0.00 C ATOM 472 OG1 THR A 30 -8.245 2.836 1.182 1.00 0.00 O ATOM 473 CG2 THR A 30 -6.169 3.460 0.324 1.00 0.00 C ATOM 0 H THR A 30 -6.981 0.854 1.562 1.00 0.00 H new ATOM 0 HA THR A 30 -5.576 3.009 3.079 1.00 0.00 H new ATOM 0 HB THR A 30 -7.110 4.489 1.967 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.176 2.568 0.242 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.604 4.126 -0.421 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.163 3.800 0.570 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.122 2.448 -0.077 1.00 0.00 H new ATOM 481 N GLU A 31 -7.480 3.448 4.685 1.00 0.00 N ATOM 482 CA GLU A 31 -8.333 3.443 5.861 1.00 0.00 C ATOM 483 C GLU A 31 -9.379 4.556 5.763 1.00 0.00 C ATOM 484 O GLU A 31 -10.403 4.511 6.443 1.00 0.00 O ATOM 485 CB GLU A 31 -7.505 3.579 7.140 1.00 0.00 C ATOM 486 CG GLU A 31 -7.593 2.309 7.988 1.00 0.00 C ATOM 487 CD GLU A 31 -6.404 1.385 7.717 1.00 0.00 C ATOM 488 OE1 GLU A 31 -6.303 0.916 6.563 1.00 0.00 O ATOM 489 OE2 GLU A 31 -5.625 1.169 8.670 1.00 0.00 O ATOM 0 H GLU A 31 -6.947 4.307 4.549 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.853 2.486 5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.464 3.778 6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.860 4.432 7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.618 2.574 9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.523 1.785 7.768 1.00 0.00 H new ATOM 496 N GLY A 32 -9.085 5.527 4.911 1.00 0.00 N ATOM 497 CA GLY A 32 -9.988 6.650 4.716 1.00 0.00 C ATOM 498 C GLY A 32 -11.279 6.201 4.031 1.00 0.00 C ATOM 499 O GLY A 32 -11.515 5.005 3.863 1.00 0.00 O ATOM 0 H GLY A 32 -8.235 5.560 4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.222 7.105 5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.499 7.415 4.113 1.00 0.00 H new ATOM 503 N SER A 33 -12.083 7.184 3.652 1.00 0.00 N ATOM 504 CA SER A 33 -13.345 6.906 2.989 1.00 0.00 C ATOM 505 C SER A 33 -13.160 5.790 1.958 1.00 0.00 C ATOM 506 O SER A 33 -14.099 5.054 1.659 1.00 0.00 O ATOM 507 CB SER A 33 -13.903 8.162 2.317 1.00 0.00 C ATOM 508 OG SER A 33 -14.917 8.783 3.101 1.00 0.00 O ATOM 0 H SER A 33 -11.884 8.175 3.792 1.00 0.00 H new ATOM 0 HA SER A 33 -14.062 6.581 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.093 8.871 2.145 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.310 7.900 1.340 1.00 0.00 H new ATOM 0 HG SER A 33 -15.246 9.582 2.638 1.00 0.00 H new ATOM 514 N LEU A 34 -11.943 5.700 1.443 1.00 0.00 N ATOM 515 CA LEU A 34 -11.622 4.687 0.452 1.00 0.00 C ATOM 516 C LEU A 34 -11.756 3.300 1.086 1.00 0.00 C ATOM 517 O LEU A 34 -12.500 2.457 0.588 1.00 0.00 O ATOM 518 CB LEU A 34 -10.246 4.953 -0.160 1.00 0.00 C ATOM 519 CG LEU A 34 -10.239 5.407 -1.622 1.00 0.00 C ATOM 520 CD1 LEU A 34 -8.837 5.843 -2.054 1.00 0.00 C ATOM 521 CD2 LEU A 34 -10.809 4.321 -2.536 1.00 0.00 C ATOM 0 H LEU A 34 -11.167 6.312 1.693 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.327 4.729 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.745 5.714 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.652 4.042 -0.080 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.889 6.277 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.860 6.161 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.505 6.672 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.146 5.007 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.793 4.669 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.205 3.418 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.836 4.101 -2.243 1.00 0.00 H new ATOM 533 N ARG A 35 -11.023 3.109 2.173 1.00 0.00 N ATOM 534 CA ARG A 35 -11.051 1.839 2.880 1.00 0.00 C ATOM 535 C ARG A 35 -11.153 0.681 1.885 1.00 0.00 C ATOM 536 O ARG A 35 -11.949 -0.236 2.075 1.00 0.00 O ATOM 537 CB ARG A 35 -12.233 1.774 3.849 1.00 0.00 C ATOM 538 CG ARG A 35 -11.986 0.734 4.945 1.00 0.00 C ATOM 539 CD ARG A 35 -12.700 1.124 6.241 1.00 0.00 C ATOM 540 NE ARG A 35 -13.316 -0.071 6.858 1.00 0.00 N ATOM 541 CZ ARG A 35 -14.405 -0.688 6.379 1.00 0.00 C ATOM 542 NH1 ARG A 35 -15.005 -0.224 5.274 1.00 0.00 N ATOM 543 NH2 ARG A 35 -14.895 -1.766 7.005 1.00 0.00 N ATOM 0 H ARG A 35 -10.406 3.811 2.581 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.125 1.755 3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.392 2.753 4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.142 1.523 3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.338 -0.242 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.916 0.641 5.129 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.991 1.577 6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.465 1.872 6.033 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.885 -0.449 7.701 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.633 0.598 4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.834 -0.693 4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.439 -2.118 7.847 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.724 -2.235 6.640 1.00 0.00 H new ATOM 557 N ALA A 36 -10.333 0.761 0.847 1.00 0.00 N ATOM 558 CA ALA A 36 -10.320 -0.269 -0.177 1.00 0.00 C ATOM 559 C ALA A 36 -8.884 -0.750 -0.393 1.00 0.00 C ATOM 560 O ALA A 36 -7.932 -0.031 -0.091 1.00 0.00 O ATOM 561 CB ALA A 36 -10.951 0.277 -1.460 1.00 0.00 C ATOM 0 H ALA A 36 -9.673 1.523 0.694 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.912 -1.129 0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.941 -0.496 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.980 0.577 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.382 1.140 -1.807 1.00 0.00 H new ATOM 567 N VAL A 37 -8.771 -1.963 -0.916 1.00 0.00 N ATOM 568 CA VAL A 37 -7.466 -2.548 -1.176 1.00 0.00 C ATOM 569 C VAL A 37 -7.087 -2.305 -2.638 1.00 0.00 C ATOM 570 O VAL A 37 -7.878 -2.573 -3.542 1.00 0.00 O ATOM 571 CB VAL A 37 -7.472 -4.029 -0.797 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.361 -4.280 0.424 1.00 0.00 C ATOM 573 CG2 VAL A 37 -7.910 -4.897 -1.980 1.00 0.00 C ATOM 0 H VAL A 37 -9.562 -2.556 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.703 -2.073 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.452 -4.310 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.347 -5.341 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.987 -3.705 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.383 -3.973 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.905 -5.946 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.916 -4.611 -2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.221 -4.752 -2.812 1.00 0.00 H new ATOM 583 N ILE A 38 -5.876 -1.802 -2.826 1.00 0.00 N ATOM 584 CA ILE A 38 -5.381 -1.522 -4.163 1.00 0.00 C ATOM 585 C ILE A 38 -4.369 -2.597 -4.564 1.00 0.00 C ATOM 586 O ILE A 38 -3.471 -2.927 -3.792 1.00 0.00 O ATOM 587 CB ILE A 38 -4.829 -0.097 -4.243 1.00 0.00 C ATOM 588 CG1 ILE A 38 -5.918 0.931 -3.932 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.168 0.161 -5.598 1.00 0.00 C ATOM 590 CD1 ILE A 38 -6.818 1.162 -5.148 1.00 0.00 C ATOM 0 H ILE A 38 -5.223 -1.581 -2.074 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.195 -1.565 -4.887 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.056 0.012 -3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.519 0.586 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.459 1.873 -3.631 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.785 1.181 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.346 -0.540 -5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.902 0.026 -6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.584 1.897 -4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.218 1.530 -5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.295 0.224 -5.431 1.00 0.00 H new ATOM 602 N PHE A 39 -4.548 -3.112 -5.773 1.00 0.00 N ATOM 603 CA PHE A 39 -3.662 -4.143 -6.285 1.00 0.00 C ATOM 604 C PHE A 39 -2.892 -3.644 -7.511 1.00 0.00 C ATOM 605 O PHE A 39 -3.493 -3.319 -8.533 1.00 0.00 O ATOM 606 CB PHE A 39 -4.541 -5.326 -6.696 1.00 0.00 C ATOM 607 CG PHE A 39 -5.217 -6.036 -5.520 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.511 -6.299 -4.388 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.523 -6.404 -5.610 1.00 0.00 C ATOM 610 CE1 PHE A 39 -5.138 -6.958 -3.298 1.00 0.00 C ATOM 611 CE2 PHE A 39 -7.150 -7.063 -4.518 1.00 0.00 C ATOM 612 CZ PHE A 39 -6.445 -7.326 -3.386 1.00 0.00 C ATOM 0 H PHE A 39 -5.293 -2.834 -6.412 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.936 -4.423 -5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.309 -4.973 -7.384 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.931 -6.047 -7.241 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.474 -6.007 -4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.083 -6.196 -6.510 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.578 -7.167 -2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.187 -7.355 -4.588 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.922 -7.827 -2.557 1.00 0.00 H new ATOM 622 N ILE A 40 -1.576 -3.602 -7.366 1.00 0.00 N ATOM 623 CA ILE A 40 -0.719 -3.149 -8.449 1.00 0.00 C ATOM 624 C ILE A 40 -0.146 -4.363 -9.181 1.00 0.00 C ATOM 625 O ILE A 40 0.372 -5.285 -8.553 1.00 0.00 O ATOM 626 CB ILE A 40 0.349 -2.189 -7.920 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.252 -1.193 -6.926 1.00 0.00 C ATOM 628 CG2 ILE A 40 1.071 -1.484 -9.071 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.798 -0.184 -6.459 1.00 0.00 C ATOM 0 H ILE A 40 -1.082 -3.874 -6.516 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.295 -2.579 -9.178 1.00 0.00 H new ATOM 0 HB ILE A 40 1.095 -2.772 -7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.085 -0.667 -7.392 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.654 -1.729 -6.066 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.825 -0.808 -8.668 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.553 -2.226 -9.707 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.350 -0.915 -9.659 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.345 0.512 -5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.618 -0.711 -5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.180 0.367 -7.318 1.00 0.00 H new ATOM 641 N THR A 41 -0.258 -4.325 -10.501 1.00 0.00 N ATOM 642 CA THR A 41 0.243 -5.411 -11.327 1.00 0.00 C ATOM 643 C THR A 41 1.611 -5.051 -11.910 1.00 0.00 C ATOM 644 O THR A 41 2.067 -3.917 -11.775 1.00 0.00 O ATOM 645 CB THR A 41 -0.810 -5.719 -12.392 1.00 0.00 C ATOM 646 OG1 THR A 41 -1.171 -4.439 -12.905 1.00 0.00 O ATOM 647 CG2 THR A 41 -2.110 -6.261 -11.793 1.00 0.00 C ATOM 0 H THR A 41 -0.688 -3.559 -11.019 1.00 0.00 H new ATOM 0 HA THR A 41 0.404 -6.314 -10.738 1.00 0.00 H new ATOM 0 HB THR A 41 -0.408 -6.444 -13.100 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.041 -4.174 -12.540 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.823 -6.463 -12.593 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.904 -7.183 -11.250 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.531 -5.524 -11.109 1.00 0.00 H new ATOM 655 N LYS A 42 2.226 -6.038 -12.544 1.00 0.00 N ATOM 656 CA LYS A 42 3.532 -5.839 -13.148 1.00 0.00 C ATOM 657 C LYS A 42 3.415 -4.823 -14.287 1.00 0.00 C ATOM 658 O LYS A 42 4.292 -3.980 -14.465 1.00 0.00 O ATOM 659 CB LYS A 42 4.134 -7.179 -13.579 1.00 0.00 C ATOM 660 CG LYS A 42 4.850 -7.859 -12.411 1.00 0.00 C ATOM 661 CD LYS A 42 4.140 -9.153 -12.010 1.00 0.00 C ATOM 662 CE LYS A 42 3.906 -9.204 -10.499 1.00 0.00 C ATOM 663 NZ LYS A 42 4.411 -10.479 -9.940 1.00 0.00 N ATOM 0 H LYS A 42 1.844 -6.978 -12.653 1.00 0.00 H new ATOM 0 HA LYS A 42 4.228 -5.423 -12.419 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.346 -7.831 -13.957 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.836 -7.020 -14.398 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.881 -8.077 -12.689 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.887 -7.181 -11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.186 -9.225 -12.532 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.738 -10.011 -12.318 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.409 -8.365 -10.018 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.842 -9.103 -10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.465 -10.407 -8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.765 -11.252 -10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.358 -10.675 -10.323 1.00 0.00 H new ATOM 677 N ARG A 43 2.323 -4.939 -15.029 1.00 0.00 N ATOM 678 CA ARG A 43 2.077 -4.042 -16.146 1.00 0.00 C ATOM 679 C ARG A 43 1.972 -2.597 -15.652 1.00 0.00 C ATOM 680 O ARG A 43 2.165 -1.659 -16.423 1.00 0.00 O ATOM 681 CB ARG A 43 0.790 -4.417 -16.882 1.00 0.00 C ATOM 682 CG ARG A 43 1.036 -4.538 -18.388 1.00 0.00 C ATOM 683 CD ARG A 43 0.489 -5.860 -18.929 1.00 0.00 C ATOM 684 NE ARG A 43 0.991 -6.093 -20.301 1.00 0.00 N ATOM 685 CZ ARG A 43 0.458 -5.542 -21.400 1.00 0.00 C ATOM 686 NH1 ARG A 43 -0.599 -4.725 -21.294 1.00 0.00 N ATOM 687 NH2 ARG A 43 0.980 -5.810 -22.605 1.00 0.00 N ATOM 0 H ARG A 43 1.598 -5.641 -14.878 1.00 0.00 H new ATOM 0 HA ARG A 43 2.916 -4.134 -16.836 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.407 -5.361 -16.495 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.026 -3.663 -16.694 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.561 -3.705 -18.906 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.105 -4.472 -18.592 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.791 -6.681 -18.279 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.601 -5.838 -18.931 1.00 0.00 H new ATOM 0 HE ARG A 43 1.793 -6.712 -20.418 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.997 -4.523 -20.377 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.005 -4.305 -22.130 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.783 -6.434 -22.686 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.574 -5.390 -23.441 1.00 0.00 H new ATOM 701 N GLY A 44 1.666 -2.464 -14.370 1.00 0.00 N ATOM 702 CA GLY A 44 1.532 -1.150 -13.765 1.00 0.00 C ATOM 703 C GLY A 44 0.059 -0.783 -13.570 1.00 0.00 C ATOM 704 O GLY A 44 -0.256 0.322 -13.133 1.00 0.00 O ATOM 0 H GLY A 44 1.507 -3.245 -13.733 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.045 -1.135 -12.803 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.016 -0.404 -14.396 1.00 0.00 H new ATOM 708 N LEU A 45 -0.804 -1.732 -13.906 1.00 0.00 N ATOM 709 CA LEU A 45 -2.235 -1.523 -13.773 1.00 0.00 C ATOM 710 C LEU A 45 -2.644 -1.736 -12.314 1.00 0.00 C ATOM 711 O LEU A 45 -2.531 -2.842 -11.789 1.00 0.00 O ATOM 712 CB LEU A 45 -3.000 -2.406 -14.761 1.00 0.00 C ATOM 713 CG LEU A 45 -3.764 -1.671 -15.864 1.00 0.00 C ATOM 714 CD1 LEU A 45 -3.639 -2.406 -17.201 1.00 0.00 C ATOM 715 CD2 LEU A 45 -5.226 -1.453 -15.465 1.00 0.00 C ATOM 0 H LEU A 45 -0.539 -2.647 -14.270 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.495 -0.496 -14.031 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.292 -3.090 -15.230 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.708 -3.016 -14.200 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.314 -0.687 -15.994 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.191 -1.863 -17.968 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.589 -2.468 -17.485 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.048 -3.412 -17.103 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.747 -0.929 -16.266 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.704 -2.417 -15.292 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.269 -0.858 -14.553 1.00 0.00 H new ATOM 727 N LYS A 46 -3.112 -0.658 -11.701 1.00 0.00 N ATOM 728 CA LYS A 46 -3.539 -0.712 -10.314 1.00 0.00 C ATOM 729 C LYS A 46 -5.067 -0.768 -10.256 1.00 0.00 C ATOM 730 O LYS A 46 -5.745 -0.009 -10.947 1.00 0.00 O ATOM 731 CB LYS A 46 -2.935 0.449 -9.521 1.00 0.00 C ATOM 732 CG LYS A 46 -1.673 0.981 -10.203 1.00 0.00 C ATOM 733 CD LYS A 46 -0.685 1.533 -9.175 1.00 0.00 C ATOM 734 CE LYS A 46 -1.354 2.572 -8.274 1.00 0.00 C ATOM 735 NZ LYS A 46 -1.319 3.908 -8.908 1.00 0.00 N ATOM 0 H LYS A 46 -3.205 0.258 -12.140 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.169 -1.620 -9.837 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.668 1.251 -9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.695 0.118 -8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.200 0.182 -10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.941 1.764 -10.912 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.294 0.717 -8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.165 1.984 -9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.387 2.282 -8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.846 2.607 -7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.777 4.601 -8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.331 4.189 -9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.824 3.874 -9.817 1.00 0.00 H new ATOM 749 N VAL A 47 -5.564 -1.672 -9.426 1.00 0.00 N ATOM 750 CA VAL A 47 -6.999 -1.835 -9.269 1.00 0.00 C ATOM 751 C VAL A 47 -7.351 -1.815 -7.780 1.00 0.00 C ATOM 752 O VAL A 47 -6.466 -1.881 -6.928 1.00 0.00 O ATOM 753 CB VAL A 47 -7.460 -3.112 -9.975 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.629 -4.259 -8.977 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.754 -2.870 -10.755 1.00 0.00 C ATOM 0 H VAL A 47 -4.998 -2.300 -8.855 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.531 -1.008 -9.740 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.687 -3.399 -10.688 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.957 -5.155 -9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.677 -4.456 -8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.374 -3.984 -8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.060 -3.793 -11.247 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.537 -2.548 -10.069 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.588 -2.097 -11.505 1.00 0.00 H new ATOM 765 N CYS A 48 -8.645 -1.722 -7.511 1.00 0.00 N ATOM 766 CA CYS A 48 -9.125 -1.692 -6.141 1.00 0.00 C ATOM 767 C CYS A 48 -9.991 -2.932 -5.906 1.00 0.00 C ATOM 768 O CYS A 48 -10.565 -3.478 -6.847 1.00 0.00 O ATOM 769 CB CYS A 48 -9.885 -0.400 -5.835 1.00 0.00 C ATOM 770 SG CYS A 48 -10.488 0.502 -7.308 1.00 0.00 S ATOM 0 H CYS A 48 -9.376 -1.666 -8.220 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.276 -1.708 -5.457 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.737 -0.638 -5.198 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.234 0.261 -5.263 1.00 0.00 H new ATOM 775 N ALA A 49 -10.057 -3.340 -4.648 1.00 0.00 N ATOM 776 CA ALA A 49 -10.843 -4.505 -4.279 1.00 0.00 C ATOM 777 C ALA A 49 -11.419 -4.303 -2.876 1.00 0.00 C ATOM 778 O ALA A 49 -10.860 -3.559 -2.073 1.00 0.00 O ATOM 779 CB ALA A 49 -9.973 -5.760 -4.377 1.00 0.00 C ATOM 0 H ALA A 49 -9.579 -2.885 -3.871 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.681 -4.635 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.563 -6.634 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.613 -5.874 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.123 -5.667 -3.701 1.00 0.00 H new ATOM 785 N ASP A 50 -12.530 -4.980 -2.625 1.00 0.00 N ATOM 786 CA ASP A 50 -13.188 -4.883 -1.333 1.00 0.00 C ATOM 787 C ASP A 50 -12.470 -5.789 -0.330 1.00 0.00 C ATOM 788 O ASP A 50 -12.286 -6.979 -0.584 1.00 0.00 O ATOM 789 CB ASP A 50 -14.646 -5.340 -1.422 1.00 0.00 C ATOM 790 CG ASP A 50 -15.654 -4.426 -0.723 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.196 -3.591 0.087 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.859 -4.583 -1.014 1.00 0.00 O ATOM 0 H ASP A 50 -12.991 -5.597 -3.294 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.155 -3.841 -1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.922 -5.423 -2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.725 -6.339 -0.992 1.00 0.00 H new ATOM 797 N PRO A 51 -12.073 -5.176 0.817 1.00 0.00 N ATOM 798 CA PRO A 51 -11.378 -5.913 1.858 1.00 0.00 C ATOM 799 C PRO A 51 -12.346 -6.811 2.632 1.00 0.00 C ATOM 800 O PRO A 51 -11.931 -7.561 3.514 1.00 0.00 O ATOM 801 CB PRO A 51 -10.730 -4.848 2.728 1.00 0.00 C ATOM 802 CG PRO A 51 -11.463 -3.554 2.419 1.00 0.00 C ATOM 803 CD PRO A 51 -12.274 -3.768 1.150 1.00 0.00 C ATOM 0 HA PRO A 51 -10.626 -6.595 1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.815 -5.102 3.785 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.667 -4.757 2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.116 -3.278 3.247 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.754 -2.737 2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.329 -3.546 1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.931 -3.117 0.346 1.00 0.00 H new ATOM 811 N GLN A 52 -13.617 -6.704 2.274 1.00 0.00 N ATOM 812 CA GLN A 52 -14.646 -7.498 2.923 1.00 0.00 C ATOM 813 C GLN A 52 -14.713 -8.894 2.300 1.00 0.00 C ATOM 814 O GLN A 52 -15.220 -9.829 2.918 1.00 0.00 O ATOM 815 CB GLN A 52 -16.005 -6.799 2.849 1.00 0.00 C ATOM 816 CG GLN A 52 -16.112 -5.941 1.586 1.00 0.00 C ATOM 817 CD GLN A 52 -17.573 -5.617 1.268 1.00 0.00 C ATOM 818 OE1 GLN A 52 -18.076 -4.545 1.559 1.00 0.00 O ATOM 819 NE2 GLN A 52 -18.225 -6.601 0.653 1.00 0.00 N ATOM 0 H GLN A 52 -13.958 -6.080 1.543 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.385 -7.604 3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.802 -7.543 2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.145 -6.174 3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -15.551 -5.016 1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -15.661 -6.467 0.745 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -17.745 -7.475 0.438 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -19.205 -6.481 0.397 1.00 0.00 H new ATOM 828 N ALA A 53 -14.194 -8.990 1.084 1.00 0.00 N ATOM 829 CA ALA A 53 -14.189 -10.256 0.371 1.00 0.00 C ATOM 830 C ALA A 53 -13.066 -11.139 0.918 1.00 0.00 C ATOM 831 O ALA A 53 -11.959 -10.662 1.164 1.00 0.00 O ATOM 832 CB ALA A 53 -14.048 -9.996 -1.130 1.00 0.00 C ATOM 0 H ALA A 53 -13.774 -8.212 0.575 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.129 -10.786 0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.044 -10.946 -1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.885 -9.389 -1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.114 -9.468 -1.322 1.00 0.00 H new ATOM 838 N THR A 54 -13.389 -12.413 1.092 1.00 0.00 N ATOM 839 CA THR A 54 -12.421 -13.367 1.605 1.00 0.00 C ATOM 840 C THR A 54 -11.335 -13.638 0.561 1.00 0.00 C ATOM 841 O THR A 54 -10.165 -13.794 0.906 1.00 0.00 O ATOM 842 CB THR A 54 -13.179 -14.625 2.033 1.00 0.00 C ATOM 843 OG1 THR A 54 -13.712 -14.291 3.311 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.245 -15.804 2.316 1.00 0.00 C ATOM 0 H THR A 54 -14.308 -12.806 0.887 1.00 0.00 H new ATOM 0 HA THR A 54 -11.899 -12.972 2.477 1.00 0.00 H new ATOM 0 HB THR A 54 -13.889 -14.903 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.221 -15.051 3.662 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.834 -16.671 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.679 -16.044 1.416 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.556 -15.538 3.118 1.00 0.00 H new ATOM 852 N TRP A 55 -11.761 -13.685 -0.692 1.00 0.00 N ATOM 853 CA TRP A 55 -10.840 -13.934 -1.788 1.00 0.00 C ATOM 854 C TRP A 55 -9.785 -12.825 -1.778 1.00 0.00 C ATOM 855 O TRP A 55 -8.606 -13.085 -2.012 1.00 0.00 O ATOM 856 CB TRP A 55 -11.587 -14.038 -3.119 1.00 0.00 C ATOM 857 CG TRP A 55 -11.649 -12.725 -3.902 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.657 -11.844 -3.956 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.615 -12.178 -4.747 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.350 -10.773 -4.770 1.00 0.00 N ATOM 861 CE2 TRP A 55 -11.068 -10.983 -5.266 1.00 0.00 C ATOM 862 CE3 TRP A 55 -9.338 -12.676 -5.060 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.308 -10.186 -6.130 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.591 -11.869 -5.926 1.00 0.00 C ATOM 865 CH2 TRP A 55 -9.034 -10.663 -6.458 1.00 0.00 C ATOM 0 H TRP A 55 -12.733 -13.555 -0.973 1.00 0.00 H new ATOM 0 HA TRP A 55 -10.338 -14.893 -1.661 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -11.104 -14.795 -3.737 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.603 -14.383 -2.928 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.593 -11.958 -3.429 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.952 -9.975 -4.971 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.963 -13.608 -4.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.685 -9.253 -6.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.602 -12.206 -6.200 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.397 -10.097 -7.122 1.00 0.00 H new ATOM 876 N VAL A 56 -10.248 -11.614 -1.508 1.00 0.00 N ATOM 877 CA VAL A 56 -9.358 -10.465 -1.466 1.00 0.00 C ATOM 878 C VAL A 56 -8.391 -10.619 -0.291 1.00 0.00 C ATOM 879 O VAL A 56 -7.184 -10.440 -0.449 1.00 0.00 O ATOM 880 CB VAL A 56 -10.176 -9.174 -1.403 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.266 -7.959 -1.207 1.00 0.00 C ATOM 882 CG2 VAL A 56 -11.045 -9.012 -2.652 1.00 0.00 C ATOM 0 H VAL A 56 -11.227 -11.403 -1.316 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.759 -10.410 -2.375 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.840 -9.240 -0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.872 -7.054 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.710 -8.067 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.567 -7.890 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.616 -8.086 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.409 -8.979 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.731 -9.856 -2.730 1.00 0.00 H new ATOM 892 N ARG A 57 -8.955 -10.947 0.862 1.00 0.00 N ATOM 893 CA ARG A 57 -8.157 -11.126 2.062 1.00 0.00 C ATOM 894 C ARG A 57 -7.153 -12.263 1.868 1.00 0.00 C ATOM 895 O ARG A 57 -6.041 -12.210 2.391 1.00 0.00 O ATOM 896 CB ARG A 57 -9.042 -11.438 3.271 1.00 0.00 C ATOM 897 CG ARG A 57 -9.308 -10.178 4.097 1.00 0.00 C ATOM 898 CD ARG A 57 -10.605 -10.309 4.896 1.00 0.00 C ATOM 899 NE ARG A 57 -10.359 -11.074 6.139 1.00 0.00 N ATOM 900 CZ ARG A 57 -11.324 -11.639 6.876 1.00 0.00 C ATOM 901 NH1 ARG A 57 -12.607 -11.529 6.502 1.00 0.00 N ATOM 902 NH2 ARG A 57 -11.008 -12.316 7.990 1.00 0.00 N ATOM 0 H ARG A 57 -9.956 -11.094 0.990 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.624 -10.193 2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.988 -11.862 2.934 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.559 -12.191 3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.474 -10.002 4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.369 -9.313 3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.994 -9.320 5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.363 -10.811 4.295 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.394 -11.177 6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.849 -11.015 5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.341 -11.960 7.064 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.033 -12.401 8.276 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.743 -12.746 8.551 1.00 0.00 H new ATOM 916 N ASP A 58 -7.580 -13.266 1.114 1.00 0.00 N ATOM 917 CA ASP A 58 -6.732 -14.414 0.843 1.00 0.00 C ATOM 918 C ASP A 58 -5.585 -13.989 -0.076 1.00 0.00 C ATOM 919 O ASP A 58 -4.434 -14.359 0.151 1.00 0.00 O ATOM 920 CB ASP A 58 -7.516 -15.524 0.140 1.00 0.00 C ATOM 921 CG ASP A 58 -6.938 -16.930 0.309 1.00 0.00 C ATOM 922 OD1 ASP A 58 -5.970 -17.237 -0.421 1.00 0.00 O ATOM 923 OD2 ASP A 58 -7.476 -17.666 1.164 1.00 0.00 O ATOM 0 H ASP A 58 -8.503 -13.307 0.682 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.354 -14.787 1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.539 -15.520 0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.567 -15.294 -0.924 1.00 0.00 H new ATOM 928 N VAL A 59 -5.939 -13.219 -1.094 1.00 0.00 N ATOM 929 CA VAL A 59 -4.953 -12.741 -2.049 1.00 0.00 C ATOM 930 C VAL A 59 -3.943 -11.846 -1.327 1.00 0.00 C ATOM 931 O VAL A 59 -2.755 -11.861 -1.646 1.00 0.00 O ATOM 932 CB VAL A 59 -5.651 -12.036 -3.213 1.00 0.00 C ATOM 933 CG1 VAL A 59 -4.938 -10.729 -3.570 1.00 0.00 C ATOM 934 CG2 VAL A 59 -5.751 -12.957 -4.431 1.00 0.00 C ATOM 0 H VAL A 59 -6.895 -12.914 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.400 -13.577 -2.478 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.664 -11.789 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.455 -10.248 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.942 -10.064 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.909 -10.943 -3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.251 -12.431 -5.244 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.750 -13.249 -4.749 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.323 -13.847 -4.168 1.00 0.00 H new ATOM 944 N VAL A 60 -4.453 -11.088 -0.367 1.00 0.00 N ATOM 945 CA VAL A 60 -3.610 -10.188 0.402 1.00 0.00 C ATOM 946 C VAL A 60 -2.513 -10.995 1.100 1.00 0.00 C ATOM 947 O VAL A 60 -1.361 -10.568 1.153 1.00 0.00 O ATOM 948 CB VAL A 60 -4.465 -9.374 1.376 1.00 0.00 C ATOM 949 CG1 VAL A 60 -3.654 -8.963 2.606 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.070 -8.151 0.684 1.00 0.00 C ATOM 0 H VAL A 60 -5.439 -11.079 -0.104 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.118 -9.471 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.285 -10.008 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.285 -8.386 3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.294 -9.855 3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.804 -8.355 2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.673 -7.590 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.270 -7.515 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.699 -8.476 -0.145 1.00 0.00 H new ATOM 960 N ARG A 61 -2.911 -12.147 1.619 1.00 0.00 N ATOM 961 CA ARG A 61 -1.976 -13.019 2.311 1.00 0.00 C ATOM 962 C ARG A 61 -0.853 -13.450 1.367 1.00 0.00 C ATOM 963 O ARG A 61 0.321 -13.397 1.729 1.00 0.00 O ATOM 964 CB ARG A 61 -2.682 -14.263 2.855 1.00 0.00 C ATOM 965 CG ARG A 61 -2.085 -14.688 4.198 1.00 0.00 C ATOM 966 CD ARG A 61 -1.500 -16.100 4.115 1.00 0.00 C ATOM 967 NE ARG A 61 -2.484 -17.086 4.614 1.00 0.00 N ATOM 968 CZ ARG A 61 -2.791 -17.254 5.907 1.00 0.00 C ATOM 969 NH1 ARG A 61 -2.191 -16.501 6.841 1.00 0.00 N ATOM 970 NH2 ARG A 61 -3.697 -18.173 6.268 1.00 0.00 N ATOM 0 H ARG A 61 -3.868 -12.497 1.574 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.557 -12.458 3.147 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.746 -14.059 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.592 -15.079 2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.306 -13.985 4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.854 -14.654 4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.232 -16.331 3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.584 -16.158 4.703 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.959 -17.675 3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.502 -15.801 6.566 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.424 -16.628 7.826 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.154 -18.745 5.558 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.930 -18.300 7.253 1.00 0.00 H new ATOM 984 N SER A 62 -1.253 -13.867 0.175 1.00 0.00 N ATOM 985 CA SER A 62 -0.294 -14.307 -0.824 1.00 0.00 C ATOM 986 C SER A 62 0.441 -13.100 -1.412 1.00 0.00 C ATOM 987 O SER A 62 1.606 -13.204 -1.792 1.00 0.00 O ATOM 988 CB SER A 62 -0.983 -15.101 -1.936 1.00 0.00 C ATOM 989 OG SER A 62 -0.194 -16.206 -2.369 1.00 0.00 O ATOM 0 H SER A 62 -2.228 -13.910 -0.122 1.00 0.00 H new ATOM 0 HA SER A 62 0.428 -14.963 -0.339 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.948 -15.462 -1.580 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.181 -14.443 -2.782 1.00 0.00 H new ATOM 0 HG SER A 62 -0.668 -16.689 -3.078 1.00 0.00 H new ATOM 995 N MET A 63 -0.270 -11.984 -1.467 1.00 0.00 N ATOM 996 CA MET A 63 0.300 -10.759 -2.001 1.00 0.00 C ATOM 997 C MET A 63 1.313 -10.155 -1.026 1.00 0.00 C ATOM 998 O MET A 63 2.475 -9.953 -1.377 1.00 0.00 O ATOM 999 CB MET A 63 -0.818 -9.749 -2.268 1.00 0.00 C ATOM 1000 CG MET A 63 -0.279 -8.317 -2.245 1.00 0.00 C ATOM 1001 SD MET A 63 0.932 -8.100 -3.539 1.00 0.00 S ATOM 1002 CE MET A 63 -0.077 -8.445 -4.970 1.00 0.00 C ATOM 0 H MET A 63 -1.236 -11.902 -1.150 1.00 0.00 H new ATOM 0 HA MET A 63 0.816 -10.996 -2.931 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.275 -9.954 -3.236 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.600 -9.859 -1.517 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.097 -7.609 -2.379 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.171 -8.104 -1.275 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.451 -8.134 -5.871 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.283 -9.514 -5.021 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.017 -7.898 -4.893 1.00 0.00 H new ATOM 1012 N ASP A 64 0.835 -9.883 0.180 1.00 0.00 N ATOM 1013 CA ASP A 64 1.684 -9.306 1.208 1.00 0.00 C ATOM 1014 C ASP A 64 2.924 -10.185 1.393 1.00 0.00 C ATOM 1015 O ASP A 64 4.043 -9.678 1.457 1.00 0.00 O ATOM 1016 CB ASP A 64 0.953 -9.234 2.551 1.00 0.00 C ATOM 1017 CG ASP A 64 1.315 -8.027 3.420 1.00 0.00 C ATOM 1018 OD1 ASP A 64 1.916 -7.085 2.861 1.00 0.00 O ATOM 1019 OD2 ASP A 64 0.983 -8.076 4.624 1.00 0.00 O ATOM 0 H ASP A 64 -0.129 -10.052 0.468 1.00 0.00 H new ATOM 0 HA ASP A 64 1.959 -8.300 0.892 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.121 -9.219 2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.165 -10.144 3.112 1.00 0.00 H new ATOM 1024 N ARG A 65 2.681 -11.484 1.472 1.00 0.00 N ATOM 1025 CA ARG A 65 3.764 -12.438 1.649 1.00 0.00 C ATOM 1026 C ARG A 65 4.617 -12.511 0.381 1.00 0.00 C ATOM 1027 O ARG A 65 5.799 -12.845 0.442 1.00 0.00 O ATOM 1028 CB ARG A 65 3.223 -13.831 1.973 1.00 0.00 C ATOM 1029 CG ARG A 65 2.743 -14.542 0.706 1.00 0.00 C ATOM 1030 CD ARG A 65 2.165 -15.920 1.036 1.00 0.00 C ATOM 1031 NE ARG A 65 2.271 -16.808 -0.143 1.00 0.00 N ATOM 1032 CZ ARG A 65 2.048 -18.130 -0.110 1.00 0.00 C ATOM 1033 NH1 ARG A 65 1.707 -18.723 1.042 1.00 0.00 N ATOM 1034 NH2 ARG A 65 2.168 -18.857 -1.229 1.00 0.00 N ATOM 0 H ARG A 65 1.751 -11.899 1.417 1.00 0.00 H new ATOM 0 HA ARG A 65 4.376 -12.096 2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.001 -14.424 2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.399 -13.749 2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.986 -13.936 0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.573 -14.650 0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.701 -16.356 1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.122 -15.824 1.337 1.00 0.00 H new ATOM 0 HE ARG A 65 2.530 -16.389 -1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.617 -18.169 1.894 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.537 -19.728 1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.429 -18.405 -2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.999 -19.863 -1.205 1.00 0.00 H new ATOM 1048 N LYS A 66 3.984 -12.195 -0.740 1.00 0.00 N ATOM 1049 CA LYS A 66 4.670 -12.222 -2.020 1.00 0.00 C ATOM 1050 C LYS A 66 5.493 -10.942 -2.179 1.00 0.00 C ATOM 1051 O LYS A 66 6.587 -10.969 -2.742 1.00 0.00 O ATOM 1052 CB LYS A 66 3.674 -12.458 -3.157 1.00 0.00 C ATOM 1053 CG LYS A 66 4.326 -12.208 -4.518 1.00 0.00 C ATOM 1054 CD LYS A 66 4.907 -13.502 -5.094 1.00 0.00 C ATOM 1055 CE LYS A 66 3.941 -14.139 -6.095 1.00 0.00 C ATOM 1056 NZ LYS A 66 4.683 -14.944 -7.091 1.00 0.00 N ATOM 0 H LYS A 66 3.003 -11.919 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 66 5.368 -13.058 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.300 -13.481 -3.111 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.815 -11.799 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.589 -11.797 -5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.116 -11.464 -4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.858 -13.291 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.114 -14.203 -4.286 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.226 -14.771 -5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.368 -13.362 -6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.012 -15.369 -7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.348 -14.332 -7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.211 -15.697 -6.605 1.00 0.00 H new ATOM 1070 N SER A 67 4.936 -9.851 -1.674 1.00 0.00 N ATOM 1071 CA SER A 67 5.605 -8.564 -1.754 1.00 0.00 C ATOM 1072 C SER A 67 5.670 -7.922 -0.366 1.00 0.00 C ATOM 1073 O SER A 67 5.293 -6.763 -0.196 1.00 0.00 O ATOM 1074 CB SER A 67 4.893 -7.633 -2.737 1.00 0.00 C ATOM 1075 OG SER A 67 5.620 -6.427 -2.952 1.00 0.00 O ATOM 0 H SER A 67 4.029 -9.832 -1.208 1.00 0.00 H new ATOM 0 HA SER A 67 6.619 -8.727 -2.120 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.755 -8.147 -3.688 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.900 -7.395 -2.356 1.00 0.00 H new ATOM 0 HG SER A 67 5.729 -5.955 -2.100 1.00 0.00 H new ATOM 1316 N GLN A 83 16.534 13.269 26.559 1.00 0.00 N ATOM 1317 CA GLN A 83 16.891 14.374 27.433 1.00 0.00 C ATOM 1318 C GLN A 83 17.262 13.852 28.822 1.00 0.00 C ATOM 1319 O GLN A 83 16.838 12.767 29.216 1.00 0.00 O ATOM 1320 CB GLN A 83 15.754 15.394 27.517 1.00 0.00 C ATOM 1321 CG GLN A 83 16.240 16.707 28.135 1.00 0.00 C ATOM 1322 CD GLN A 83 15.518 17.905 27.515 1.00 0.00 C ATOM 1323 OE1 GLN A 83 14.707 18.566 28.143 1.00 0.00 O ATOM 1324 NE2 GLN A 83 15.858 18.149 26.253 1.00 0.00 N ATOM 0 HA GLN A 83 17.760 14.880 27.012 1.00 0.00 H new ATOM 0 HB2 GLN A 83 15.355 15.583 26.520 1.00 0.00 H new ATOM 0 HB3 GLN A 83 14.938 14.987 28.114 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.069 16.692 29.211 1.00 0.00 H new ATOM 0 HG3 GLN A 83 17.315 16.808 27.985 1.00 0.00 H new ATOM 0 HE21 GLN A 83 16.544 17.556 25.786 1.00 0.00 H new ATOM 0 HE22 GLN A 83 15.433 18.929 25.752 1.00 0.00 H new ATOM 1333 N SER A 84 18.052 14.650 29.527 1.00 0.00 N ATOM 1334 CA SER A 84 18.485 14.283 30.864 1.00 0.00 C ATOM 1335 C SER A 84 18.456 15.508 31.779 1.00 0.00 C ATOM 1336 O SER A 84 18.317 16.637 31.307 1.00 0.00 O ATOM 1337 CB SER A 84 19.888 13.673 30.840 1.00 0.00 C ATOM 1338 OG SER A 84 19.855 12.254 30.957 1.00 0.00 O ATOM 0 H SER A 84 18.403 15.549 29.197 1.00 0.00 H new ATOM 0 HA SER A 84 17.797 13.532 31.252 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.387 13.949 29.911 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.479 14.090 31.655 1.00 0.00 H new ATOM 0 HG SER A 84 20.770 11.903 30.936 1.00 0.00 H new ATOM 1344 N THR A 85 18.588 15.246 33.071 1.00 0.00 N ATOM 1345 CA THR A 85 18.578 16.314 34.056 1.00 0.00 C ATOM 1346 C THR A 85 20.006 16.665 34.477 1.00 0.00 C ATOM 1347 O THR A 85 20.935 15.897 34.234 1.00 0.00 O ATOM 1348 CB THR A 85 17.692 15.872 35.223 1.00 0.00 C ATOM 1349 OG1 THR A 85 16.622 15.168 34.599 1.00 0.00 O ATOM 1350 CG2 THR A 85 17.009 17.051 35.918 1.00 0.00 C ATOM 0 H THR A 85 18.702 14.309 33.459 1.00 0.00 H new ATOM 0 HA THR A 85 18.161 17.231 33.641 1.00 0.00 H new ATOM 0 HB THR A 85 18.293 15.323 35.948 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.000 14.844 35.284 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.393 16.683 36.738 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.766 17.730 36.310 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.381 17.581 35.202 1.00 0.00 H new ATOM 1358 N ASN A 86 20.136 17.827 35.099 1.00 0.00 N ATOM 1359 CA ASN A 86 21.436 18.290 35.556 1.00 0.00 C ATOM 1360 C ASN A 86 21.315 18.801 36.993 1.00 0.00 C ATOM 1361 O ASN A 86 20.262 18.671 37.615 1.00 0.00 O ATOM 1362 CB ASN A 86 21.947 19.441 34.686 1.00 0.00 C ATOM 1363 CG ASN A 86 22.871 18.925 33.581 1.00 0.00 C ATOM 1364 OD1 ASN A 86 23.329 17.794 33.597 1.00 0.00 O ATOM 1365 ND2 ASN A 86 23.117 19.814 32.623 1.00 0.00 N ATOM 0 H ASN A 86 19.363 18.462 35.298 1.00 0.00 H new ATOM 0 HA ASN A 86 22.133 17.454 35.494 1.00 0.00 H new ATOM 0 HB2 ASN A 86 21.103 19.969 34.242 1.00 0.00 H new ATOM 0 HB3 ASN A 86 22.482 20.160 35.306 1.00 0.00 H new ATOM 0 HD21 ASN A 86 23.722 19.566 31.840 1.00 0.00 H new ATOM 0 HD22 ASN A 86 22.701 20.744 32.671 1.00 0.00 H new ATOM 1372 N THR A 87 22.407 19.372 37.478 1.00 0.00 N ATOM 1373 CA THR A 87 22.437 19.903 38.830 1.00 0.00 C ATOM 1374 C THR A 87 22.942 21.348 38.825 1.00 0.00 C ATOM 1375 O THR A 87 23.185 21.921 37.764 1.00 0.00 O ATOM 1376 CB THR A 87 23.288 18.965 39.688 1.00 0.00 C ATOM 1377 OG1 THR A 87 24.530 18.890 38.993 1.00 0.00 O ATOM 1378 CG2 THR A 87 22.767 17.527 39.677 1.00 0.00 C ATOM 0 H THR A 87 23.278 19.479 36.959 1.00 0.00 H new ATOM 0 HA THR A 87 21.437 19.943 39.261 1.00 0.00 H new ATOM 0 HB THR A 87 23.313 19.334 40.713 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.143 18.302 39.482 1.00 0.00 H new ATOM 0 HG21 THR A 87 23.407 16.903 40.301 1.00 0.00 H new ATOM 0 HG22 THR A 87 21.749 17.506 40.066 1.00 0.00 H new ATOM 0 HG23 THR A 87 22.773 17.146 38.656 1.00 0.00 H new ATOM 1386 N ALA A 88 23.084 21.896 40.023 1.00 0.00 N ATOM 1387 CA ALA A 88 23.554 23.262 40.170 1.00 0.00 C ATOM 1388 C ALA A 88 23.409 23.693 41.631 1.00 0.00 C ATOM 1389 O ALA A 88 22.371 24.221 42.026 1.00 0.00 O ATOM 1390 CB ALA A 88 22.783 24.174 39.215 1.00 0.00 C ATOM 0 H ALA A 88 22.882 21.418 40.901 1.00 0.00 H new ATOM 0 HA ALA A 88 24.610 23.334 39.908 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.136 25.199 39.326 1.00 0.00 H new ATOM 0 HB2 ALA A 88 22.943 23.844 38.188 1.00 0.00 H new ATOM 0 HB3 ALA A 88 21.719 24.130 39.449 1.00 0.00 H new ATOM 1396 N VAL A 89 24.466 23.452 42.394 1.00 0.00 N ATOM 1397 CA VAL A 89 24.470 23.808 43.802 1.00 0.00 C ATOM 1398 C VAL A 89 25.787 24.506 44.144 1.00 0.00 C ATOM 1399 O VAL A 89 26.864 23.962 43.902 1.00 0.00 O ATOM 1400 CB VAL A 89 24.213 22.566 44.656 1.00 0.00 C ATOM 1401 CG1 VAL A 89 25.249 21.478 44.369 1.00 0.00 C ATOM 1402 CG2 VAL A 89 24.187 22.919 46.145 1.00 0.00 C ATOM 0 H VAL A 89 25.326 23.014 42.063 1.00 0.00 H new ATOM 0 HA VAL A 89 23.665 24.509 44.021 1.00 0.00 H new ATOM 0 HB VAL A 89 23.232 22.173 44.388 1.00 0.00 H new ATOM 0 HG11 VAL A 89 25.043 20.606 44.990 1.00 0.00 H new ATOM 0 HG12 VAL A 89 25.198 21.195 43.318 1.00 0.00 H new ATOM 0 HG13 VAL A 89 26.246 21.856 44.595 1.00 0.00 H new ATOM 0 HG21 VAL A 89 24.002 22.018 46.729 1.00 0.00 H new ATOM 0 HG22 VAL A 89 25.146 23.349 46.434 1.00 0.00 H new ATOM 0 HG23 VAL A 89 23.394 23.642 46.334 1.00 0.00 H new ATOM 1412 N THR A 90 25.659 25.701 44.702 1.00 0.00 N ATOM 1413 CA THR A 90 26.827 26.480 45.079 1.00 0.00 C ATOM 1414 C THR A 90 26.980 26.507 46.600 1.00 0.00 C ATOM 1415 O THR A 90 25.996 26.386 47.329 1.00 0.00 O ATOM 1416 CB THR A 90 26.689 27.871 44.457 1.00 0.00 C ATOM 1417 OG1 THR A 90 26.715 27.628 43.053 1.00 0.00 O ATOM 1418 CG2 THR A 90 27.916 28.749 44.706 1.00 0.00 C ATOM 0 H THR A 90 24.765 26.149 44.902 1.00 0.00 H new ATOM 0 HA THR A 90 27.743 26.029 44.699 1.00 0.00 H new ATOM 0 HB THR A 90 25.804 28.362 44.861 1.00 0.00 H new ATOM 0 HG1 THR A 90 26.629 28.478 42.572 1.00 0.00 H new ATOM 0 HG21 THR A 90 27.765 29.724 44.243 1.00 0.00 H new ATOM 0 HG22 THR A 90 28.062 28.875 45.779 1.00 0.00 H new ATOM 0 HG23 THR A 90 28.797 28.275 44.273 1.00 0.00 H new ATOM 1426 N LEU A 91 28.222 26.667 47.036 1.00 0.00 N ATOM 1427 CA LEU A 91 28.516 26.713 48.458 1.00 0.00 C ATOM 1428 C LEU A 91 28.769 28.163 48.876 1.00 0.00 C ATOM 1429 O LEU A 91 29.551 28.869 48.241 1.00 0.00 O ATOM 1430 CB LEU A 91 29.668 25.765 48.796 1.00 0.00 C ATOM 1431 CG LEU A 91 30.635 26.244 49.881 1.00 0.00 C ATOM 1432 CD1 LEU A 91 29.930 26.349 51.235 1.00 0.00 C ATOM 1433 CD2 LEU A 91 31.874 25.349 49.947 1.00 0.00 C ATOM 0 H LEU A 91 29.036 26.766 46.429 1.00 0.00 H new ATOM 0 HA LEU A 91 27.662 26.360 49.036 1.00 0.00 H new ATOM 0 HB2 LEU A 91 29.246 24.810 49.109 1.00 0.00 H new ATOM 0 HB3 LEU A 91 30.238 25.579 47.886 1.00 0.00 H new ATOM 0 HG LEU A 91 30.976 27.245 49.617 1.00 0.00 H new ATOM 0 HD11 LEU A 91 30.639 26.691 51.989 1.00 0.00 H new ATOM 0 HD12 LEU A 91 29.106 27.059 51.162 1.00 0.00 H new ATOM 0 HD13 LEU A 91 29.542 25.371 51.520 1.00 0.00 H new ATOM 0 HD21 LEU A 91 32.544 25.712 50.726 1.00 0.00 H new ATOM 0 HD22 LEU A 91 31.573 24.327 50.175 1.00 0.00 H new ATOM 0 HD23 LEU A 91 32.389 25.370 48.987 1.00 0.00 H new ATOM 1445 N THR A 92 28.092 28.563 49.943 1.00 0.00 N ATOM 1446 CA THR A 92 28.234 29.916 50.454 1.00 0.00 C ATOM 1447 C THR A 92 29.711 30.256 50.662 1.00 0.00 C ATOM 1448 O THR A 92 30.543 29.362 50.808 1.00 0.00 O ATOM 1449 CB THR A 92 27.399 30.029 51.730 1.00 0.00 C ATOM 1450 OG1 THR A 92 28.054 29.162 52.652 1.00 0.00 O ATOM 1451 CG2 THR A 92 26.004 29.420 51.574 1.00 0.00 C ATOM 0 H THR A 92 27.444 27.974 50.467 1.00 0.00 H new ATOM 0 HA THR A 92 27.862 30.650 49.739 1.00 0.00 H new ATOM 0 HB THR A 92 27.308 31.078 52.011 1.00 0.00 H new ATOM 0 HG1 THR A 92 27.578 29.176 53.509 1.00 0.00 H new ATOM 0 HG21 THR A 92 25.454 29.527 52.509 1.00 0.00 H new ATOM 0 HG22 THR A 92 25.469 29.936 50.777 1.00 0.00 H new ATOM 0 HG23 THR A 92 26.094 28.363 51.325 1.00 0.00 H new