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=-0.00168 USER MOD Set 1.2: A 67 SER OG : rot -58:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0374 USER MOD Single : A 15 THR OG1 : rot -160:sc= -0.716 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0881 K(o=-0.088,f=-1.3) 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 -104:sc= 0.0576 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 120:sc=-0.000416 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -76:sc= 0.269 USER MOD Single : A 42 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0264) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= 0.814 F(o=-0.037,f=0.81) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.201 USER MOD Single : A 63 MET CE :methyl -159:sc= -12.7! (180deg=-14.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0619 X(o=-0.062,f=-0.55) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.497 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) 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 -8.626 4.285 -9.341 1.00 0.00 N ATOM 150 CA CYS A 11 -8.722 3.217 -10.322 1.00 0.00 C ATOM 151 C CYS A 11 -10.061 3.352 -11.049 1.00 0.00 C ATOM 152 O CYS A 11 -10.547 4.462 -11.262 1.00 0.00 O ATOM 153 CB CYS A 11 -8.559 1.839 -9.675 1.00 0.00 C ATOM 154 SG CYS A 11 -7.449 1.799 -8.222 1.00 0.00 S ATOM 0 HA CYS A 11 -7.909 3.306 -11.042 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.542 1.476 -9.374 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.179 1.144 -10.424 1.00 0.00 H new ATOM 159 N VAL A 12 -10.620 2.206 -11.409 1.00 0.00 N ATOM 160 CA VAL A 12 -11.894 2.182 -12.109 1.00 0.00 C ATOM 161 C VAL A 12 -13.009 1.844 -11.116 1.00 0.00 C ATOM 162 O VAL A 12 -13.577 2.735 -10.487 1.00 0.00 O ATOM 163 CB VAL A 12 -11.826 1.208 -13.286 1.00 0.00 C ATOM 164 CG1 VAL A 12 -11.484 1.942 -14.584 1.00 0.00 C ATOM 165 CG2 VAL A 12 -10.826 0.083 -13.011 1.00 0.00 C ATOM 0 H VAL A 12 -10.215 1.287 -11.229 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.118 3.162 -12.529 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.811 0.757 -13.405 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.442 1.227 -15.406 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.250 2.689 -14.792 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.517 2.433 -14.480 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.798 -0.595 -13.864 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.835 0.508 -12.852 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.132 -0.466 -12.121 1.00 0.00 H new ATOM 175 N SER A 13 -13.289 0.553 -11.009 1.00 0.00 N ATOM 176 CA SER A 13 -14.326 0.085 -10.103 1.00 0.00 C ATOM 177 C SER A 13 -13.696 -0.664 -8.928 1.00 0.00 C ATOM 178 O SER A 13 -12.498 -0.541 -8.680 1.00 0.00 O ATOM 179 CB SER A 13 -15.328 -0.814 -10.831 1.00 0.00 C ATOM 180 OG SER A 13 -14.851 -2.151 -10.956 1.00 0.00 O ATOM 0 H SER A 13 -12.817 -0.183 -11.534 1.00 0.00 H new ATOM 0 HA SER A 13 -14.866 0.953 -9.724 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.274 -0.815 -10.290 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.528 -0.406 -11.822 1.00 0.00 H new ATOM 0 HG SER A 13 -15.519 -2.694 -11.424 1.00 0.00 H new ATOM 186 N LEU A 14 -14.532 -1.423 -8.236 1.00 0.00 N ATOM 187 CA LEU A 14 -14.072 -2.193 -7.092 1.00 0.00 C ATOM 188 C LEU A 14 -14.156 -3.685 -7.420 1.00 0.00 C ATOM 189 O LEU A 14 -15.198 -4.309 -7.226 1.00 0.00 O ATOM 190 CB LEU A 14 -14.845 -1.796 -5.833 1.00 0.00 C ATOM 191 CG LEU A 14 -14.218 -0.690 -4.981 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.043 -0.435 -3.718 1.00 0.00 C ATOM 193 CD2 LEU A 14 -12.758 -1.011 -4.656 1.00 0.00 C ATOM 0 H LEU A 14 -15.525 -1.522 -8.445 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.026 -1.971 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.844 -1.476 -6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.966 -2.682 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.225 0.233 -5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.575 0.355 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.052 -0.131 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.091 -1.348 -3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.336 -0.210 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.706 -1.950 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.191 -1.103 -5.582 1.00 0.00 H new ATOM 205 N THR A 15 -13.044 -4.214 -7.910 1.00 0.00 N ATOM 206 CA THR A 15 -12.979 -5.621 -8.267 1.00 0.00 C ATOM 207 C THR A 15 -13.796 -5.889 -9.533 1.00 0.00 C ATOM 208 O THR A 15 -13.688 -5.154 -10.513 1.00 0.00 O ATOM 209 CB THR A 15 -13.445 -6.437 -7.060 1.00 0.00 C ATOM 210 OG1 THR A 15 -12.896 -5.745 -5.941 1.00 0.00 O ATOM 211 CG2 THR A 15 -12.791 -7.819 -7.000 1.00 0.00 C ATOM 0 H THR A 15 -12.181 -3.693 -8.068 1.00 0.00 H new ATOM 0 HA THR A 15 -11.959 -5.921 -8.507 1.00 0.00 H new ATOM 0 HB THR A 15 -14.529 -6.549 -7.094 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.867 -6.346 -5.167 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.156 -8.357 -6.125 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.041 -8.379 -7.901 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.709 -7.707 -6.932 1.00 0.00 H new ATOM 219 N THR A 16 -14.595 -6.944 -9.470 1.00 0.00 N ATOM 220 CA THR A 16 -15.429 -7.319 -10.600 1.00 0.00 C ATOM 221 C THR A 16 -14.630 -8.157 -11.599 1.00 0.00 C ATOM 222 O THR A 16 -15.191 -8.693 -12.554 1.00 0.00 O ATOM 223 CB THR A 16 -16.007 -6.038 -11.205 1.00 0.00 C ATOM 224 OG1 THR A 16 -17.311 -6.416 -11.637 1.00 0.00 O ATOM 225 CG2 THR A 16 -15.293 -5.626 -12.495 1.00 0.00 C ATOM 0 H THR A 16 -14.683 -7.551 -8.655 1.00 0.00 H new ATOM 0 HA THR A 16 -16.259 -7.952 -10.286 1.00 0.00 H new ATOM 0 HB THR A 16 -15.938 -5.230 -10.477 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.758 -5.643 -12.041 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.742 -4.712 -12.883 1.00 0.00 H new ATOM 0 HG22 THR A 16 -14.237 -5.452 -12.287 1.00 0.00 H new ATOM 0 HG23 THR A 16 -15.391 -6.420 -13.235 1.00 0.00 H new ATOM 233 N GLN A 17 -13.332 -8.244 -11.346 1.00 0.00 N ATOM 234 CA GLN A 17 -12.449 -9.007 -12.211 1.00 0.00 C ATOM 235 C GLN A 17 -11.328 -9.648 -11.393 1.00 0.00 C ATOM 236 O GLN A 17 -10.257 -9.063 -11.233 1.00 0.00 O ATOM 237 CB GLN A 17 -11.881 -8.128 -13.327 1.00 0.00 C ATOM 238 CG GLN A 17 -10.922 -7.078 -12.763 1.00 0.00 C ATOM 239 CD GLN A 17 -10.939 -5.807 -13.613 1.00 0.00 C ATOM 240 OE1 GLN A 17 -11.476 -5.768 -14.708 1.00 0.00 O ATOM 241 NE2 GLN A 17 -10.323 -4.771 -13.050 1.00 0.00 N ATOM 0 H GLN A 17 -12.871 -7.798 -10.553 1.00 0.00 H new ATOM 0 HA GLN A 17 -13.029 -9.802 -12.680 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.359 -8.750 -14.054 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.696 -7.634 -13.857 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.203 -6.838 -11.738 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.911 -7.484 -12.730 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.894 -4.871 -12.130 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.280 -3.876 -13.538 1.00 0.00 H new ATOM 250 N ARG A 18 -11.611 -10.843 -10.894 1.00 0.00 N ATOM 251 CA ARG A 18 -10.639 -11.571 -10.097 1.00 0.00 C ATOM 252 C ARG A 18 -9.320 -11.707 -10.861 1.00 0.00 C ATOM 253 O ARG A 18 -9.113 -12.682 -11.581 1.00 0.00 O ATOM 254 CB ARG A 18 -11.155 -12.965 -9.734 1.00 0.00 C ATOM 255 CG ARG A 18 -10.859 -13.295 -8.270 1.00 0.00 C ATOM 256 CD ARG A 18 -10.319 -14.720 -8.128 1.00 0.00 C ATOM 257 NE ARG A 18 -11.283 -15.554 -7.375 1.00 0.00 N ATOM 258 CZ ARG A 18 -12.367 -16.125 -7.917 1.00 0.00 C ATOM 259 NH1 ARG A 18 -12.632 -15.956 -9.219 1.00 0.00 N ATOM 260 NH2 ARG A 18 -13.184 -16.866 -7.157 1.00 0.00 N ATOM 0 H ARG A 18 -12.500 -11.325 -11.027 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.475 -11.006 -9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.229 -13.017 -9.912 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.688 -13.709 -10.380 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.133 -12.586 -7.873 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.768 -13.186 -7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.144 -15.151 -9.114 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.359 -14.704 -7.612 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.111 -15.703 -6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.009 -15.393 -9.797 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.457 -16.391 -9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.981 -16.995 -6.166 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.009 -17.301 -7.569 1.00 0.00 H new ATOM 274 N LEU A 19 -8.461 -10.715 -10.677 1.00 0.00 N ATOM 275 CA LEU A 19 -7.169 -10.711 -11.339 1.00 0.00 C ATOM 276 C LEU A 19 -6.300 -11.830 -10.759 1.00 0.00 C ATOM 277 O LEU A 19 -6.565 -12.322 -9.664 1.00 0.00 O ATOM 278 CB LEU A 19 -6.525 -9.325 -11.252 1.00 0.00 C ATOM 279 CG LEU A 19 -6.070 -8.712 -12.578 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.035 -7.616 -13.034 1.00 0.00 C ATOM 281 CD2 LEU A 19 -4.630 -8.204 -12.482 1.00 0.00 C ATOM 0 H LEU A 19 -8.636 -9.908 -10.078 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.286 -10.916 -12.403 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.237 -8.644 -10.785 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.662 -9.388 -10.589 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.086 -9.493 -13.339 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.689 -7.197 -13.979 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.030 -8.040 -13.168 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.074 -6.829 -12.281 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.332 -7.773 -13.438 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.564 -7.443 -11.705 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.967 -9.033 -12.235 1.00 0.00 H new ATOM 293 N PRO A 20 -5.253 -12.207 -11.539 1.00 0.00 N ATOM 294 CA PRO A 20 -4.343 -13.258 -11.115 1.00 0.00 C ATOM 295 C PRO A 20 -3.394 -12.756 -10.026 1.00 0.00 C ATOM 296 O PRO A 20 -2.477 -11.985 -10.304 1.00 0.00 O ATOM 297 CB PRO A 20 -3.620 -13.687 -12.382 1.00 0.00 C ATOM 298 CG PRO A 20 -3.810 -12.553 -13.375 1.00 0.00 C ATOM 299 CD PRO A 20 -4.907 -11.645 -12.842 1.00 0.00 C ATOM 0 HA PRO A 20 -4.860 -14.104 -10.661 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.562 -13.862 -12.187 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.032 -14.619 -12.770 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.881 -11.996 -13.501 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.082 -12.945 -14.355 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.559 -10.616 -12.750 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.769 -11.632 -13.509 1.00 0.00 H new ATOM 307 N VAL A 21 -3.648 -13.212 -8.808 1.00 0.00 N ATOM 308 CA VAL A 21 -2.828 -12.818 -7.675 1.00 0.00 C ATOM 309 C VAL A 21 -1.355 -13.052 -8.013 1.00 0.00 C ATOM 310 O VAL A 21 -0.507 -12.207 -7.727 1.00 0.00 O ATOM 311 CB VAL A 21 -3.279 -13.564 -6.418 1.00 0.00 C ATOM 312 CG1 VAL A 21 -2.361 -13.251 -5.235 1.00 0.00 C ATOM 313 CG2 VAL A 21 -4.736 -13.242 -6.082 1.00 0.00 C ATOM 0 H VAL A 21 -4.410 -13.851 -8.581 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.949 -11.755 -7.466 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.211 -14.633 -6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.704 -13.794 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.342 -13.555 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.382 -12.180 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.031 -13.785 -5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.841 -12.171 -5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.375 -13.540 -6.913 1.00 0.00 H new ATOM 323 N SER A 22 -1.094 -14.202 -8.615 1.00 0.00 N ATOM 324 CA SER A 22 0.263 -14.558 -8.995 1.00 0.00 C ATOM 325 C SER A 22 0.853 -13.476 -9.902 1.00 0.00 C ATOM 326 O SER A 22 2.069 -13.401 -10.076 1.00 0.00 O ATOM 327 CB SER A 22 0.302 -15.917 -9.695 1.00 0.00 C ATOM 328 OG SER A 22 1.353 -15.994 -10.655 1.00 0.00 O ATOM 0 H SER A 22 -1.799 -14.900 -8.850 1.00 0.00 H new ATOM 0 HA SER A 22 0.863 -14.631 -8.088 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.432 -16.704 -8.952 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.653 -16.098 -10.188 1.00 0.00 H new ATOM 0 HG SER A 22 1.345 -16.878 -11.079 1.00 0.00 H new ATOM 334 N ARG A 23 -0.035 -12.665 -10.456 1.00 0.00 N ATOM 335 CA ARG A 23 0.382 -11.590 -11.342 1.00 0.00 C ATOM 336 C ARG A 23 0.358 -10.252 -10.600 1.00 0.00 C ATOM 337 O ARG A 23 0.666 -9.212 -11.180 1.00 0.00 O ATOM 338 CB ARG A 23 -0.528 -11.502 -12.568 1.00 0.00 C ATOM 339 CG ARG A 23 0.275 -11.675 -13.860 1.00 0.00 C ATOM 340 CD ARG A 23 0.267 -13.134 -14.320 1.00 0.00 C ATOM 341 NE ARG A 23 0.139 -13.198 -15.793 1.00 0.00 N ATOM 342 CZ ARG A 23 0.232 -14.329 -16.507 1.00 0.00 C ATOM 343 NH1 ARG A 23 0.457 -15.496 -15.885 1.00 0.00 N ATOM 344 NH2 ARG A 23 0.102 -14.294 -17.840 1.00 0.00 N ATOM 0 H ARG A 23 -1.042 -12.730 -10.309 1.00 0.00 H new ATOM 0 HA ARG A 23 1.397 -11.808 -11.673 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.299 -12.270 -12.509 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.038 -10.539 -12.579 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.145 -11.042 -14.641 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.302 -11.346 -13.701 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.186 -13.629 -14.004 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.560 -13.668 -13.851 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.031 -12.327 -16.296 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.557 -15.522 -14.870 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.528 -16.357 -16.427 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.068 -13.406 -18.313 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.173 -15.155 -18.382 1.00 0.00 H new ATOM 358 N ILE A 24 -0.011 -10.322 -9.330 1.00 0.00 N ATOM 359 CA ILE A 24 -0.079 -9.129 -8.503 1.00 0.00 C ATOM 360 C ILE A 24 1.257 -8.934 -7.784 1.00 0.00 C ATOM 361 O ILE A 24 1.860 -9.899 -7.315 1.00 0.00 O ATOM 362 CB ILE A 24 -1.281 -9.199 -7.559 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.582 -9.384 -8.341 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.332 -7.975 -6.644 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.777 -9.516 -7.395 1.00 0.00 C ATOM 0 H ILE A 24 -0.266 -11.187 -8.853 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.240 -8.246 -9.122 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.162 -10.074 -6.920 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.734 -8.535 -9.008 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.510 -10.273 -8.968 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.196 -8.050 -5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.421 -7.929 -6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.415 -7.072 -7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.689 -9.646 -7.977 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.634 -10.380 -6.746 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.861 -8.616 -6.787 1.00 0.00 H new ATOM 377 N LYS A 25 1.682 -7.681 -7.720 1.00 0.00 N ATOM 378 CA LYS A 25 2.936 -7.348 -7.066 1.00 0.00 C ATOM 379 C LYS A 25 2.660 -6.963 -5.611 1.00 0.00 C ATOM 380 O LYS A 25 2.835 -7.778 -4.706 1.00 0.00 O ATOM 381 CB LYS A 25 3.683 -6.272 -7.856 1.00 0.00 C ATOM 382 CG LYS A 25 5.122 -6.126 -7.357 1.00 0.00 C ATOM 383 CD LYS A 25 6.103 -6.047 -8.529 1.00 0.00 C ATOM 384 CE LYS A 25 6.782 -4.677 -8.586 1.00 0.00 C ATOM 385 NZ LYS A 25 7.392 -4.455 -9.915 1.00 0.00 N ATOM 0 H LYS A 25 1.180 -6.884 -8.111 1.00 0.00 H new ATOM 0 HA LYS A 25 3.598 -8.214 -7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.686 -6.529 -8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.163 -5.319 -7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.209 -5.229 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.378 -6.973 -6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.858 -6.827 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.574 -6.234 -9.464 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.052 -3.894 -8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.547 -4.612 -7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.848 -3.521 -9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.103 -5.192 -10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.654 -4.496 -10.647 1.00 0.00 H new ATOM 399 N THR A 26 2.235 -5.722 -5.431 1.00 0.00 N ATOM 400 CA THR A 26 1.934 -5.219 -4.102 1.00 0.00 C ATOM 401 C THR A 26 0.489 -4.721 -4.034 1.00 0.00 C ATOM 402 O THR A 26 -0.213 -4.701 -5.044 1.00 0.00 O ATOM 403 CB THR A 26 2.965 -4.141 -3.759 1.00 0.00 C ATOM 404 OG1 THR A 26 2.924 -4.061 -2.337 1.00 0.00 O ATOM 405 CG2 THR A 26 2.532 -2.749 -4.223 1.00 0.00 C ATOM 0 H THR A 26 2.092 -5.049 -6.184 1.00 0.00 H new ATOM 0 HA THR A 26 2.008 -6.009 -3.355 1.00 0.00 H new ATOM 0 HB THR A 26 3.921 -4.395 -4.216 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.564 -3.386 -2.029 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.298 -2.022 -3.955 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.396 -2.752 -5.305 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.592 -2.480 -3.740 1.00 0.00 H new ATOM 413 N TYR A 27 0.087 -4.330 -2.834 1.00 0.00 N ATOM 414 CA TYR A 27 -1.262 -3.834 -2.621 1.00 0.00 C ATOM 415 C TYR A 27 -1.280 -2.730 -1.561 1.00 0.00 C ATOM 416 O TYR A 27 -0.465 -2.737 -0.640 1.00 0.00 O ATOM 417 CB TYR A 27 -2.075 -5.026 -2.113 1.00 0.00 C ATOM 418 CG TYR A 27 -1.444 -5.746 -0.921 1.00 0.00 C ATOM 419 CD1 TYR A 27 -1.560 -5.213 0.347 1.00 0.00 C ATOM 420 CD2 TYR A 27 -0.760 -6.930 -1.112 1.00 0.00 C ATOM 421 CE1 TYR A 27 -0.964 -5.892 1.470 1.00 0.00 C ATOM 422 CE2 TYR A 27 -0.165 -7.608 0.010 1.00 0.00 C ATOM 423 CZ TYR A 27 -0.297 -7.056 1.246 1.00 0.00 C ATOM 424 OH TYR A 27 0.263 -7.696 2.306 1.00 0.00 O ATOM 0 H TYR A 27 0.672 -4.347 -1.999 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.666 -3.415 -3.542 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.070 -4.681 -1.831 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -2.204 -5.738 -2.928 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.097 -4.288 0.497 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.671 -7.348 -2.104 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.045 -5.486 2.467 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.374 -8.534 -0.127 1.00 0.00 H new ATOM 0 HH TYR A 27 1.233 -7.555 2.298 1.00 0.00 H new ATOM 434 N THR A 28 -2.218 -1.809 -1.727 1.00 0.00 N ATOM 435 CA THR A 28 -2.352 -0.702 -0.796 1.00 0.00 C ATOM 436 C THR A 28 -3.778 -0.638 -0.245 1.00 0.00 C ATOM 437 O THR A 28 -4.733 -0.474 -1.002 1.00 0.00 O ATOM 438 CB THR A 28 -1.922 0.577 -1.518 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.649 0.882 -0.954 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.792 1.779 -1.145 1.00 0.00 C ATOM 0 H THR A 28 -2.892 -1.807 -2.492 1.00 0.00 H new ATOM 0 HA THR A 28 -1.707 -0.835 0.073 1.00 0.00 H new ATOM 0 HB THR A 28 -1.964 0.418 -2.596 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.295 1.697 -1.367 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.445 2.660 -1.684 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.829 1.575 -1.412 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.723 1.959 -0.072 1.00 0.00 H new ATOM 448 N ILE A 29 -3.877 -0.773 1.070 1.00 0.00 N ATOM 449 CA ILE A 29 -5.170 -0.732 1.731 1.00 0.00 C ATOM 450 C ILE A 29 -5.265 0.537 2.578 1.00 0.00 C ATOM 451 O ILE A 29 -4.311 0.907 3.259 1.00 0.00 O ATOM 452 CB ILE A 29 -5.406 -2.020 2.524 1.00 0.00 C ATOM 453 CG1 ILE A 29 -5.168 -3.254 1.650 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.799 -2.025 3.157 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.304 -4.539 2.468 1.00 0.00 C ATOM 0 H ILE A 29 -3.083 -0.911 1.695 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.973 -0.685 0.995 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.682 -2.059 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.883 -3.265 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.173 -3.204 1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.942 -2.951 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.894 -1.175 3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.554 -1.953 2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.130 -5.401 1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.571 -4.536 3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.308 -4.598 2.889 1.00 0.00 H new ATOM 467 N THR A 30 -6.427 1.172 2.506 1.00 0.00 N ATOM 468 CA THR A 30 -6.660 2.393 3.258 1.00 0.00 C ATOM 469 C THR A 30 -7.938 2.272 4.090 1.00 0.00 C ATOM 470 O THR A 30 -8.621 1.250 4.040 1.00 0.00 O ATOM 471 CB THR A 30 -6.688 3.560 2.268 1.00 0.00 C ATOM 472 OG1 THR A 30 -7.827 3.296 1.454 1.00 0.00 O ATOM 473 CG2 THR A 30 -5.513 3.525 1.289 1.00 0.00 C ATOM 0 H THR A 30 -7.216 0.863 1.938 1.00 0.00 H new ATOM 0 HA THR A 30 -5.859 2.574 3.975 1.00 0.00 H new ATOM 0 HB THR A 30 -6.675 4.502 2.816 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.464 4.037 1.532 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.581 4.374 0.609 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.576 3.578 1.843 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.544 2.598 0.716 1.00 0.00 H new ATOM 481 N GLU A 31 -8.223 3.329 4.836 1.00 0.00 N ATOM 482 CA GLU A 31 -9.408 3.354 5.677 1.00 0.00 C ATOM 483 C GLU A 31 -10.188 4.651 5.458 1.00 0.00 C ATOM 484 O GLU A 31 -11.349 4.755 5.851 1.00 0.00 O ATOM 485 CB GLU A 31 -9.036 3.181 7.151 1.00 0.00 C ATOM 486 CG GLU A 31 -9.530 1.835 7.687 1.00 0.00 C ATOM 487 CD GLU A 31 -10.834 2.002 8.470 1.00 0.00 C ATOM 488 OE1 GLU A 31 -11.843 2.359 7.824 1.00 0.00 O ATOM 489 OE2 GLU A 31 -10.793 1.768 9.698 1.00 0.00 O ATOM 0 H GLU A 31 -7.654 4.175 4.876 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.047 2.517 5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.954 3.248 7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.470 3.991 7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.685 1.144 6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.769 1.394 8.331 1.00 0.00 H new ATOM 496 N GLY A 32 -9.520 5.607 4.830 1.00 0.00 N ATOM 497 CA GLY A 32 -10.136 6.894 4.553 1.00 0.00 C ATOM 498 C GLY A 32 -11.487 6.715 3.857 1.00 0.00 C ATOM 499 O GLY A 32 -11.988 5.597 3.741 1.00 0.00 O ATOM 0 H GLY A 32 -8.558 5.516 4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.272 7.444 5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.475 7.490 3.924 1.00 0.00 H new ATOM 503 N SER A 33 -12.041 7.834 3.413 1.00 0.00 N ATOM 504 CA SER A 33 -13.324 7.815 2.733 1.00 0.00 C ATOM 505 C SER A 33 -13.328 6.731 1.652 1.00 0.00 C ATOM 506 O SER A 33 -14.390 6.282 1.222 1.00 0.00 O ATOM 507 CB SER A 33 -13.641 9.179 2.116 1.00 0.00 C ATOM 508 OG SER A 33 -12.564 9.671 1.324 1.00 0.00 O ATOM 0 H SER A 33 -11.624 8.760 3.511 1.00 0.00 H new ATOM 0 HA SER A 33 -14.097 7.590 3.468 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.537 9.099 1.500 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.863 9.893 2.909 1.00 0.00 H new ATOM 0 HG SER A 33 -12.807 10.542 0.947 1.00 0.00 H new ATOM 514 N LEU A 34 -12.129 6.343 1.244 1.00 0.00 N ATOM 515 CA LEU A 34 -11.981 5.321 0.223 1.00 0.00 C ATOM 516 C LEU A 34 -11.984 3.941 0.884 1.00 0.00 C ATOM 517 O LEU A 34 -12.745 3.060 0.487 1.00 0.00 O ATOM 518 CB LEU A 34 -10.740 5.591 -0.630 1.00 0.00 C ATOM 519 CG LEU A 34 -10.022 4.357 -1.180 1.00 0.00 C ATOM 520 CD1 LEU A 34 -10.710 3.842 -2.446 1.00 0.00 C ATOM 521 CD2 LEU A 34 -8.537 4.644 -1.412 1.00 0.00 C ATOM 0 H LEU A 34 -11.251 6.718 1.602 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.825 5.347 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.031 6.222 -1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.030 6.163 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.084 3.565 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.180 2.965 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -11.741 3.573 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.700 4.621 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.050 3.750 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.431 5.458 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.070 4.928 -0.469 1.00 0.00 H new ATOM 533 N ARG A 35 -11.124 3.796 1.881 1.00 0.00 N ATOM 534 CA ARG A 35 -11.019 2.538 2.601 1.00 0.00 C ATOM 535 C ARG A 35 -11.222 1.360 1.646 1.00 0.00 C ATOM 536 O ARG A 35 -12.214 0.641 1.743 1.00 0.00 O ATOM 537 CB ARG A 35 -12.054 2.458 3.725 1.00 0.00 C ATOM 538 CG ARG A 35 -13.404 3.016 3.268 1.00 0.00 C ATOM 539 CD ARG A 35 -14.420 2.999 4.412 1.00 0.00 C ATOM 540 NE ARG A 35 -15.790 3.137 3.873 1.00 0.00 N ATOM 541 CZ ARG A 35 -16.485 2.135 3.320 1.00 0.00 C ATOM 542 NH1 ARG A 35 -15.942 0.913 3.229 1.00 0.00 N ATOM 543 NH2 ARG A 35 -17.724 2.353 2.857 1.00 0.00 N ATOM 0 H ARG A 35 -10.494 4.528 2.207 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.021 2.489 3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.173 1.422 4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.700 3.017 4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.276 4.036 2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.781 2.426 2.433 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.333 2.068 4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.210 3.811 5.108 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.234 4.054 3.926 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.999 0.746 3.581 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.471 0.150 2.808 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.138 3.283 2.926 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -18.253 1.589 2.436 1.00 0.00 H new ATOM 557 N ALA A 36 -10.265 1.201 0.742 1.00 0.00 N ATOM 558 CA ALA A 36 -10.326 0.124 -0.230 1.00 0.00 C ATOM 559 C ALA A 36 -8.934 -0.489 -0.394 1.00 0.00 C ATOM 560 O ALA A 36 -7.929 0.155 -0.096 1.00 0.00 O ATOM 561 CB ALA A 36 -10.887 0.658 -1.550 1.00 0.00 C ATOM 0 H ALA A 36 -9.444 1.801 0.663 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.995 -0.665 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.933 -0.151 -2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.889 1.055 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.240 1.450 -1.926 1.00 0.00 H new ATOM 567 N VAL A 37 -8.919 -1.726 -0.868 1.00 0.00 N ATOM 568 CA VAL A 37 -7.666 -2.433 -1.075 1.00 0.00 C ATOM 569 C VAL A 37 -7.227 -2.268 -2.531 1.00 0.00 C ATOM 570 O VAL A 37 -7.964 -2.624 -3.450 1.00 0.00 O ATOM 571 CB VAL A 37 -7.817 -3.898 -0.659 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.335 -4.010 0.777 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.727 -4.653 -1.630 1.00 0.00 C ATOM 0 H VAL A 37 -9.754 -2.257 -1.115 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.881 -2.010 -0.448 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.830 -4.360 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.433 -5.061 1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.634 -3.525 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.308 -3.524 0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.817 -5.691 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.713 -4.189 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.300 -4.617 -2.632 1.00 0.00 H new ATOM 583 N ILE A 38 -6.029 -1.727 -2.696 1.00 0.00 N ATOM 584 CA ILE A 38 -5.483 -1.510 -4.025 1.00 0.00 C ATOM 585 C ILE A 38 -4.583 -2.688 -4.401 1.00 0.00 C ATOM 586 O ILE A 38 -3.758 -3.124 -3.599 1.00 0.00 O ATOM 587 CB ILE A 38 -4.782 -0.151 -4.101 1.00 0.00 C ATOM 588 CG1 ILE A 38 -5.701 0.968 -3.610 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.257 0.116 -5.513 1.00 0.00 C ATOM 590 CD1 ILE A 38 -6.598 1.477 -4.740 1.00 0.00 C ATOM 0 H ILE A 38 -5.421 -1.433 -1.932 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.283 -1.472 -4.764 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.919 -0.174 -3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.317 0.603 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.102 1.790 -3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.763 1.087 -5.540 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.544 -0.661 -5.789 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.089 0.112 -6.217 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.241 2.272 -4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.979 1.864 -5.550 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.213 0.658 -5.113 1.00 0.00 H new ATOM 602 N PHE A 39 -4.772 -3.171 -5.620 1.00 0.00 N ATOM 603 CA PHE A 39 -3.988 -4.291 -6.112 1.00 0.00 C ATOM 604 C PHE A 39 -3.062 -3.855 -7.249 1.00 0.00 C ATOM 605 O PHE A 39 -3.527 -3.407 -8.296 1.00 0.00 O ATOM 606 CB PHE A 39 -4.976 -5.330 -6.646 1.00 0.00 C ATOM 607 CG PHE A 39 -5.246 -6.485 -5.679 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.225 -7.021 -4.958 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.507 -6.977 -5.543 1.00 0.00 C ATOM 610 CE1 PHE A 39 -4.476 -8.093 -4.061 1.00 0.00 C ATOM 611 CE2 PHE A 39 -6.757 -8.049 -4.646 1.00 0.00 C ATOM 612 CZ PHE A 39 -5.737 -8.585 -3.925 1.00 0.00 C ATOM 0 H PHE A 39 -5.457 -2.807 -6.282 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.370 -4.692 -5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.919 -4.835 -6.877 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.591 -5.735 -7.582 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.224 -6.632 -5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.317 -6.553 -6.117 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.666 -8.518 -3.487 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.758 -8.439 -4.537 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.928 -9.401 -3.244 1.00 0.00 H new ATOM 622 N ILE A 40 -1.767 -3.999 -7.003 1.00 0.00 N ATOM 623 CA ILE A 40 -0.772 -3.625 -7.995 1.00 0.00 C ATOM 624 C ILE A 40 -0.301 -4.878 -8.736 1.00 0.00 C ATOM 625 O ILE A 40 -0.045 -5.910 -8.118 1.00 0.00 O ATOM 626 CB ILE A 40 0.363 -2.834 -7.341 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.152 -1.515 -6.762 1.00 0.00 C ATOM 628 CG2 ILE A 40 1.516 -2.619 -8.322 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.189 -1.399 -5.275 1.00 0.00 C ATOM 0 H ILE A 40 -1.385 -4.369 -6.133 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.207 -2.959 -8.740 1.00 0.00 H new ATOM 0 HB ILE A 40 0.754 -3.420 -6.509 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.287 -0.679 -7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.232 -1.451 -6.897 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.310 -2.054 -7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.904 -3.585 -8.645 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.157 -2.064 -9.189 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.188 -0.452 -4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.272 -2.223 -4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.271 -1.439 -5.146 1.00 0.00 H new ATOM 641 N THR A 41 -0.201 -4.746 -10.050 1.00 0.00 N ATOM 642 CA THR A 41 0.234 -5.855 -10.883 1.00 0.00 C ATOM 643 C THR A 41 1.715 -5.706 -11.237 1.00 0.00 C ATOM 644 O THR A 41 2.290 -4.629 -11.079 1.00 0.00 O ATOM 645 CB THR A 41 -0.681 -5.915 -12.107 1.00 0.00 C ATOM 646 OG1 THR A 41 -0.894 -4.548 -12.449 1.00 0.00 O ATOM 647 CG2 THR A 41 -2.078 -6.438 -11.768 1.00 0.00 C ATOM 0 H THR A 41 -0.414 -3.888 -10.559 1.00 0.00 H new ATOM 0 HA THR A 41 0.153 -6.804 -10.353 1.00 0.00 H new ATOM 0 HB THR A 41 -0.230 -6.553 -12.867 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.529 -4.148 -11.819 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.687 -6.461 -12.672 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.000 -7.445 -11.358 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.544 -5.782 -11.033 1.00 0.00 H new ATOM 655 N LYS A 42 2.291 -6.802 -11.710 1.00 0.00 N ATOM 656 CA LYS A 42 3.694 -6.806 -12.089 1.00 0.00 C ATOM 657 C LYS A 42 3.938 -5.721 -13.139 1.00 0.00 C ATOM 658 O LYS A 42 4.981 -5.070 -13.134 1.00 0.00 O ATOM 659 CB LYS A 42 4.124 -8.204 -12.537 1.00 0.00 C ATOM 660 CG LYS A 42 3.855 -9.238 -11.441 1.00 0.00 C ATOM 661 CD LYS A 42 4.863 -9.101 -10.299 1.00 0.00 C ATOM 662 CE LYS A 42 4.425 -9.913 -9.079 1.00 0.00 C ATOM 663 NZ LYS A 42 5.516 -9.982 -8.082 1.00 0.00 N ATOM 0 H LYS A 42 1.812 -7.693 -11.839 1.00 0.00 H new ATOM 0 HA LYS A 42 4.321 -6.565 -11.231 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.586 -8.481 -13.443 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.185 -8.200 -12.785 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.844 -9.110 -11.055 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.911 -10.242 -11.862 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.844 -9.440 -10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.965 -8.051 -10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.542 -9.458 -8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.142 -10.920 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.140 -10.339 -7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.260 -10.623 -8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.916 -9.033 -7.939 1.00 0.00 H new ATOM 677 N ARG A 43 2.957 -5.561 -14.016 1.00 0.00 N ATOM 678 CA ARG A 43 3.052 -4.567 -15.071 1.00 0.00 C ATOM 679 C ARG A 43 3.224 -3.170 -14.470 1.00 0.00 C ATOM 680 O ARG A 43 3.753 -2.271 -15.122 1.00 0.00 O ATOM 681 CB ARG A 43 1.805 -4.582 -15.958 1.00 0.00 C ATOM 682 CG ARG A 43 2.174 -4.376 -17.428 1.00 0.00 C ATOM 683 CD ARG A 43 1.382 -5.324 -18.331 1.00 0.00 C ATOM 684 NE ARG A 43 1.940 -5.301 -19.701 1.00 0.00 N ATOM 685 CZ ARG A 43 1.430 -5.990 -20.731 1.00 0.00 C ATOM 686 NH1 ARG A 43 0.348 -6.760 -20.552 1.00 0.00 N ATOM 687 NH2 ARG A 43 2.002 -5.909 -21.940 1.00 0.00 N ATOM 0 H ARG A 43 2.093 -6.103 -14.017 1.00 0.00 H new ATOM 0 HA ARG A 43 3.921 -4.814 -15.681 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.282 -5.531 -15.840 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.118 -3.798 -15.639 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.975 -3.344 -17.715 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.242 -4.545 -17.566 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.420 -6.337 -17.931 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.333 -5.028 -18.352 1.00 0.00 H new ATOM 0 HE ARG A 43 2.764 -4.725 -19.872 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.087 -6.822 -19.632 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.040 -7.284 -21.336 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.826 -5.323 -22.076 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.614 -6.433 -22.724 1.00 0.00 H new ATOM 701 N GLY A 44 2.767 -3.032 -13.234 1.00 0.00 N ATOM 702 CA GLY A 44 2.864 -1.760 -12.538 1.00 0.00 C ATOM 703 C GLY A 44 1.491 -1.094 -12.418 1.00 0.00 C ATOM 704 O GLY A 44 1.372 -0.008 -11.853 1.00 0.00 O ATOM 0 H GLY A 44 2.329 -3.780 -12.697 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.284 -1.916 -11.545 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.547 -1.100 -13.073 1.00 0.00 H new ATOM 708 N LEU A 45 0.491 -1.775 -12.960 1.00 0.00 N ATOM 709 CA LEU A 45 -0.869 -1.263 -12.920 1.00 0.00 C ATOM 710 C LEU A 45 -1.488 -1.578 -11.557 1.00 0.00 C ATOM 711 O LEU A 45 -1.365 -2.697 -11.060 1.00 0.00 O ATOM 712 CB LEU A 45 -1.677 -1.799 -14.103 1.00 0.00 C ATOM 713 CG LEU A 45 -1.882 -0.831 -15.270 1.00 0.00 C ATOM 714 CD1 LEU A 45 -1.164 -1.328 -16.526 1.00 0.00 C ATOM 715 CD2 LEU A 45 -3.370 -0.581 -15.521 1.00 0.00 C ATOM 0 H LEU A 45 0.595 -2.675 -13.428 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.872 -0.178 -13.028 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.180 -2.693 -14.481 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.656 -2.109 -13.738 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.436 0.127 -15.002 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.325 -0.622 -17.341 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.096 -1.412 -16.325 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.558 -2.304 -16.808 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.487 0.110 -16.355 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.862 -1.524 -15.759 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.823 -0.151 -14.627 1.00 0.00 H new ATOM 727 N LYS A 46 -2.142 -0.573 -10.993 1.00 0.00 N ATOM 728 CA LYS A 46 -2.781 -0.730 -9.698 1.00 0.00 C ATOM 729 C LYS A 46 -4.295 -0.572 -9.858 1.00 0.00 C ATOM 730 O LYS A 46 -4.759 0.343 -10.536 1.00 0.00 O ATOM 731 CB LYS A 46 -2.168 0.232 -8.678 1.00 0.00 C ATOM 732 CG LYS A 46 -2.303 1.683 -9.143 1.00 0.00 C ATOM 733 CD LYS A 46 -1.646 2.641 -8.147 1.00 0.00 C ATOM 734 CE LYS A 46 -0.184 2.264 -7.906 1.00 0.00 C ATOM 735 NZ LYS A 46 0.676 3.469 -7.950 1.00 0.00 N ATOM 0 H LYS A 46 -2.243 0.353 -11.409 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.604 -1.731 -9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.661 0.108 -7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.115 -0.010 -8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.841 1.799 -10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.357 1.936 -9.255 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.704 3.661 -8.526 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.191 2.620 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.084 1.773 -6.938 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.143 1.549 -8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.666 3.195 -7.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.593 3.921 -8.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.374 4.138 -7.213 1.00 0.00 H new ATOM 749 N VAL A 47 -5.022 -1.480 -9.224 1.00 0.00 N ATOM 750 CA VAL A 47 -6.474 -1.454 -9.288 1.00 0.00 C ATOM 751 C VAL A 47 -7.042 -1.382 -7.869 1.00 0.00 C ATOM 752 O VAL A 47 -6.327 -1.623 -6.898 1.00 0.00 O ATOM 753 CB VAL A 47 -6.985 -2.661 -10.077 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.242 -3.852 -9.151 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.241 -2.305 -10.873 1.00 0.00 C ATOM 0 H VAL A 47 -4.633 -2.238 -8.664 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.817 -0.567 -9.820 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.210 -2.949 -10.787 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.605 -4.697 -9.737 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.315 -4.129 -8.649 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.990 -3.579 -8.406 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.583 -3.181 -11.424 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.025 -1.978 -10.189 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.012 -1.502 -11.574 1.00 0.00 H new ATOM 765 N CYS A 48 -8.322 -1.051 -7.795 1.00 0.00 N ATOM 766 CA CYS A 48 -8.995 -0.945 -6.511 1.00 0.00 C ATOM 767 C CYS A 48 -9.858 -2.193 -6.316 1.00 0.00 C ATOM 768 O CYS A 48 -10.318 -2.791 -7.288 1.00 0.00 O ATOM 769 CB CYS A 48 -9.817 0.341 -6.408 1.00 0.00 C ATOM 770 SG CYS A 48 -8.917 1.866 -6.866 1.00 0.00 S ATOM 0 H CYS A 48 -8.912 -0.852 -8.603 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.255 -0.889 -5.713 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.694 0.247 -7.049 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -10.179 0.443 -5.385 1.00 0.00 H new ATOM 775 N ALA A 49 -10.053 -2.548 -5.055 1.00 0.00 N ATOM 776 CA ALA A 49 -10.853 -3.714 -4.721 1.00 0.00 C ATOM 777 C ALA A 49 -11.459 -3.529 -3.328 1.00 0.00 C ATOM 778 O ALA A 49 -10.938 -2.762 -2.518 1.00 0.00 O ATOM 779 CB ALA A 49 -9.989 -4.972 -4.818 1.00 0.00 C ATOM 0 H ALA A 49 -9.671 -2.049 -4.252 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.676 -3.829 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.590 -5.846 -4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.607 -5.073 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.154 -4.894 -4.122 1.00 0.00 H new ATOM 785 N ASP A 50 -12.548 -4.244 -3.091 1.00 0.00 N ATOM 786 CA ASP A 50 -13.230 -4.168 -1.810 1.00 0.00 C ATOM 787 C ASP A 50 -12.573 -5.142 -0.829 1.00 0.00 C ATOM 788 O ASP A 50 -12.292 -6.287 -1.181 1.00 0.00 O ATOM 789 CB ASP A 50 -14.704 -4.557 -1.946 1.00 0.00 C ATOM 790 CG ASP A 50 -15.694 -3.402 -1.790 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.655 -2.762 -0.718 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.468 -3.185 -2.748 1.00 0.00 O ATOM 0 H ASP A 50 -12.976 -4.879 -3.765 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.160 -3.141 -1.451 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.855 -5.015 -2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.934 -5.317 -1.199 1.00 0.00 H new ATOM 797 N PRO A 51 -12.341 -4.638 0.412 1.00 0.00 N ATOM 798 CA PRO A 51 -11.721 -5.450 1.445 1.00 0.00 C ATOM 799 C PRO A 51 -12.713 -6.471 2.008 1.00 0.00 C ATOM 800 O PRO A 51 -12.378 -7.232 2.914 1.00 0.00 O ATOM 801 CB PRO A 51 -11.236 -4.457 2.488 1.00 0.00 C ATOM 802 CG PRO A 51 -12.006 -3.172 2.230 1.00 0.00 C ATOM 803 CD PRO A 51 -12.659 -3.287 0.862 1.00 0.00 C ATOM 0 HA PRO A 51 -10.892 -6.049 1.068 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.421 -4.828 3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.162 -4.293 2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.760 -3.018 3.001 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.336 -2.313 2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.736 -3.133 0.923 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.269 -2.538 0.173 1.00 0.00 H new ATOM 811 N GLN A 52 -13.913 -6.453 1.446 1.00 0.00 N ATOM 812 CA GLN A 52 -14.955 -7.368 1.881 1.00 0.00 C ATOM 813 C GLN A 52 -14.767 -8.737 1.224 1.00 0.00 C ATOM 814 O GLN A 52 -15.367 -9.722 1.652 1.00 0.00 O ATOM 815 CB GLN A 52 -16.344 -6.801 1.579 1.00 0.00 C ATOM 816 CG GLN A 52 -17.440 -7.785 1.991 1.00 0.00 C ATOM 817 CD GLN A 52 -18.101 -8.414 0.763 1.00 0.00 C ATOM 818 OE1 GLN A 52 -19.060 -7.667 0.223 1.00 0.00 O flip ATOM 819 NE2 GLN A 52 -17.763 -9.505 0.335 1.00 0.00 N flip ATOM 0 H GLN A 52 -14.187 -5.820 0.694 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.876 -7.491 2.961 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.479 -5.858 2.109 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.428 -6.583 0.514 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -17.014 -8.567 2.620 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.191 -7.269 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -17.018 -10.026 0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -18.225 -9.896 -0.486 1.00 0.00 H new ATOM 828 N ALA A 53 -13.933 -8.754 0.194 1.00 0.00 N ATOM 829 CA ALA A 53 -13.660 -9.986 -0.526 1.00 0.00 C ATOM 830 C ALA A 53 -12.659 -10.826 0.270 1.00 0.00 C ATOM 831 O ALA A 53 -11.569 -10.359 0.594 1.00 0.00 O ATOM 832 CB ALA A 53 -13.154 -9.654 -1.931 1.00 0.00 C ATOM 0 H ALA A 53 -13.438 -7.935 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.570 -10.575 -0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.949 -10.578 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.912 -9.082 -2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.239 -9.065 -1.859 1.00 0.00 H new ATOM 838 N THR A 54 -13.067 -12.052 0.563 1.00 0.00 N ATOM 839 CA THR A 54 -12.220 -12.963 1.316 1.00 0.00 C ATOM 840 C THR A 54 -11.013 -13.385 0.477 1.00 0.00 C ATOM 841 O THR A 54 -9.901 -13.492 0.992 1.00 0.00 O ATOM 842 CB THR A 54 -13.082 -14.139 1.776 1.00 0.00 C ATOM 843 OG1 THR A 54 -13.752 -13.648 2.934 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.245 -15.310 2.297 1.00 0.00 C ATOM 0 H THR A 54 -13.972 -12.436 0.293 1.00 0.00 H new ATOM 0 HA THR A 54 -11.807 -12.479 2.201 1.00 0.00 H new ATOM 0 HB THR A 54 -13.704 -14.478 0.948 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.335 -14.348 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.906 -16.118 2.611 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.586 -15.667 1.506 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.647 -14.980 3.146 1.00 0.00 H new ATOM 852 N TRP A 55 -11.272 -13.614 -0.802 1.00 0.00 N ATOM 853 CA TRP A 55 -10.221 -14.022 -1.718 1.00 0.00 C ATOM 854 C TRP A 55 -9.152 -12.927 -1.728 1.00 0.00 C ATOM 855 O TRP A 55 -7.957 -13.221 -1.718 1.00 0.00 O ATOM 856 CB TRP A 55 -10.788 -14.317 -3.108 1.00 0.00 C ATOM 857 CG TRP A 55 -10.998 -13.071 -3.971 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.077 -12.277 -4.028 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.056 -12.504 -4.906 1.00 0.00 C ATOM 860 NE1 TRP A 55 -11.900 -11.245 -4.926 1.00 0.00 N ATOM 861 CE2 TRP A 55 -10.632 -11.388 -5.478 1.00 0.00 C ATOM 862 CE3 TRP A 55 -8.760 -12.921 -5.258 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -9.986 -10.596 -6.435 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.127 -12.119 -6.216 1.00 0.00 C ATOM 865 CH2 TRP A 55 -8.694 -10.992 -6.800 1.00 0.00 C ATOM 0 H TRP A 55 -12.196 -13.525 -1.226 1.00 0.00 H new ATOM 0 HA TRP A 55 -9.762 -14.954 -1.388 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.113 -14.997 -3.628 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -11.741 -14.835 -2.998 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.973 -12.427 -3.444 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.575 -10.512 -5.145 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.290 -13.791 -4.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.459 -9.727 -6.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.129 -12.395 -6.522 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.140 -10.424 -7.533 1.00 0.00 H new ATOM 876 N VAL A 56 -9.619 -11.687 -1.749 1.00 0.00 N ATOM 877 CA VAL A 56 -8.717 -10.548 -1.762 1.00 0.00 C ATOM 878 C VAL A 56 -7.847 -10.578 -0.504 1.00 0.00 C ATOM 879 O VAL A 56 -6.629 -10.432 -0.584 1.00 0.00 O ATOM 880 CB VAL A 56 -9.516 -9.251 -1.905 1.00 0.00 C ATOM 881 CG1 VAL A 56 -8.606 -8.028 -1.770 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.281 -9.221 -3.230 1.00 0.00 C ATOM 0 H VAL A 56 -10.610 -11.446 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.048 -10.599 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.246 -9.217 -1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.199 -7.120 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.127 -8.037 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.842 -8.055 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.840 -8.289 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.576 -9.290 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.972 -10.063 -3.270 1.00 0.00 H new ATOM 892 N ARG A 57 -8.507 -10.770 0.629 1.00 0.00 N ATOM 893 CA ARG A 57 -7.809 -10.821 1.902 1.00 0.00 C ATOM 894 C ARG A 57 -6.938 -12.078 1.980 1.00 0.00 C ATOM 895 O ARG A 57 -5.874 -12.062 2.596 1.00 0.00 O ATOM 896 CB ARG A 57 -8.794 -10.819 3.071 1.00 0.00 C ATOM 897 CG ARG A 57 -8.529 -9.640 4.011 1.00 0.00 C ATOM 898 CD ARG A 57 -9.841 -9.015 4.491 1.00 0.00 C ATOM 899 NE ARG A 57 -9.798 -8.815 5.956 1.00 0.00 N ATOM 900 CZ ARG A 57 -9.933 -9.800 6.854 1.00 0.00 C ATOM 901 NH1 ARG A 57 -10.118 -11.062 6.441 1.00 0.00 N ATOM 902 NH2 ARG A 57 -9.881 -9.526 8.164 1.00 0.00 N ATOM 0 H ARG A 57 -9.518 -10.892 0.692 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.180 -9.933 1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.814 -10.763 2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.710 -11.755 3.623 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.948 -9.978 4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.931 -8.888 3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.004 -8.061 3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.679 -9.661 4.228 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.657 -7.867 6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.156 -11.272 5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.221 -11.812 7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.738 -8.566 8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.984 -10.277 8.847 1.00 0.00 H new ATOM 916 N ASP A 58 -7.424 -13.135 1.346 1.00 0.00 N ATOM 917 CA ASP A 58 -6.704 -14.397 1.336 1.00 0.00 C ATOM 918 C ASP A 58 -5.399 -14.229 0.554 1.00 0.00 C ATOM 919 O ASP A 58 -4.334 -14.626 1.025 1.00 0.00 O ATOM 920 CB ASP A 58 -7.525 -15.494 0.655 1.00 0.00 C ATOM 921 CG ASP A 58 -7.621 -16.808 1.433 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.564 -17.460 1.576 1.00 0.00 O ATOM 923 OD2 ASP A 58 -8.749 -17.128 1.868 1.00 0.00 O ATOM 0 H ASP A 58 -8.307 -13.143 0.836 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.508 -14.682 2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.533 -15.118 0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.089 -15.699 -0.323 1.00 0.00 H new ATOM 928 N VAL A 59 -5.526 -13.639 -0.626 1.00 0.00 N ATOM 929 CA VAL A 59 -4.369 -13.413 -1.477 1.00 0.00 C ATOM 930 C VAL A 59 -3.493 -12.321 -0.860 1.00 0.00 C ATOM 931 O VAL A 59 -2.271 -12.354 -0.990 1.00 0.00 O ATOM 932 CB VAL A 59 -4.824 -13.083 -2.900 1.00 0.00 C ATOM 933 CG1 VAL A 59 -5.689 -14.207 -3.474 1.00 0.00 C ATOM 934 CG2 VAL A 59 -5.565 -11.745 -2.942 1.00 0.00 C ATOM 0 H VAL A 59 -6.411 -13.311 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.762 -14.316 -1.545 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.935 -12.993 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.999 -13.947 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.114 -15.133 -3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.571 -14.343 -2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.878 -11.534 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.442 -11.795 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.904 -10.952 -2.594 1.00 0.00 H new ATOM 944 N VAL A 60 -4.153 -11.378 -0.203 1.00 0.00 N ATOM 945 CA VAL A 60 -3.449 -10.277 0.434 1.00 0.00 C ATOM 946 C VAL A 60 -2.420 -10.837 1.417 1.00 0.00 C ATOM 947 O VAL A 60 -1.298 -10.340 1.498 1.00 0.00 O ATOM 948 CB VAL A 60 -4.452 -9.328 1.092 1.00 0.00 C ATOM 949 CG1 VAL A 60 -3.799 -8.550 2.237 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.064 -8.376 0.062 1.00 0.00 C ATOM 0 H VAL A 60 -5.167 -11.354 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.904 -9.691 -0.306 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.258 -9.930 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.533 -7.882 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.433 -9.249 2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.965 -7.964 1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.773 -7.712 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.274 -7.784 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.581 -8.953 -0.705 1.00 0.00 H new ATOM 960 N ARG A 61 -2.839 -11.865 2.141 1.00 0.00 N ATOM 961 CA ARG A 61 -1.967 -12.497 3.117 1.00 0.00 C ATOM 962 C ARG A 61 -0.704 -13.027 2.435 1.00 0.00 C ATOM 963 O ARG A 61 0.406 -12.796 2.913 1.00 0.00 O ATOM 964 CB ARG A 61 -2.680 -13.653 3.824 1.00 0.00 C ATOM 965 CG ARG A 61 -1.948 -14.042 5.110 1.00 0.00 C ATOM 966 CD ARG A 61 -0.799 -15.010 4.816 1.00 0.00 C ATOM 967 NE ARG A 61 -0.177 -15.456 6.081 1.00 0.00 N ATOM 968 CZ ARG A 61 0.681 -14.717 6.798 1.00 0.00 C ATOM 969 NH1 ARG A 61 1.022 -13.491 6.379 1.00 0.00 N ATOM 970 NH2 ARG A 61 1.198 -15.203 7.936 1.00 0.00 N ATOM 0 H ARG A 61 -3.770 -12.276 2.071 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.696 -11.744 3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.705 -13.365 4.057 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.735 -14.514 3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.559 -13.147 5.596 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.648 -14.504 5.806 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.171 -15.871 4.261 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.054 -14.523 4.187 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.416 -16.384 6.430 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.629 -13.120 5.514 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.675 -12.929 6.925 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.938 -16.136 8.257 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.851 -14.640 8.481 1.00 0.00 H new ATOM 984 N SER A 62 -0.916 -13.728 1.331 1.00 0.00 N ATOM 985 CA SER A 62 0.192 -14.292 0.579 1.00 0.00 C ATOM 986 C SER A 62 0.932 -13.184 -0.174 1.00 0.00 C ATOM 987 O SER A 62 2.158 -13.107 -0.125 1.00 0.00 O ATOM 988 CB SER A 62 -0.294 -15.364 -0.398 1.00 0.00 C ATOM 989 OG SER A 62 0.709 -16.342 -0.660 1.00 0.00 O ATOM 0 H SER A 62 -1.838 -13.918 0.939 1.00 0.00 H new ATOM 0 HA SER A 62 0.877 -14.764 1.283 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.179 -15.852 0.010 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.594 -14.892 -1.334 1.00 0.00 H new ATOM 0 HG SER A 62 0.359 -17.009 -1.287 1.00 0.00 H new ATOM 995 N MET A 63 0.155 -12.353 -0.853 1.00 0.00 N ATOM 996 CA MET A 63 0.721 -11.253 -1.615 1.00 0.00 C ATOM 997 C MET A 63 1.903 -10.624 -0.874 1.00 0.00 C ATOM 998 O MET A 63 2.829 -10.110 -1.500 1.00 0.00 O ATOM 999 CB MET A 63 -0.355 -10.191 -1.855 1.00 0.00 C ATOM 1000 CG MET A 63 -1.215 -10.548 -3.069 1.00 0.00 C ATOM 1001 SD MET A 63 -0.216 -10.539 -4.548 1.00 0.00 S ATOM 1002 CE MET A 63 0.506 -8.911 -4.426 1.00 0.00 C ATOM 0 H MET A 63 -0.862 -12.419 -0.891 1.00 0.00 H new ATOM 0 HA MET A 63 1.079 -11.642 -2.568 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.986 -10.101 -0.971 1.00 0.00 H new ATOM 0 HB3 MET A 63 0.115 -9.220 -2.011 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.665 -11.531 -2.930 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.033 -9.834 -3.168 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.847 -8.589 -5.410 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.240 -8.209 -4.053 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.353 -8.939 -3.740 1.00 0.00 H new ATOM 1012 N ASP A 64 1.833 -10.686 0.447 1.00 0.00 N ATOM 1013 CA ASP A 64 2.885 -10.129 1.279 1.00 0.00 C ATOM 1014 C ASP A 64 4.221 -10.775 0.905 1.00 0.00 C ATOM 1015 O ASP A 64 5.218 -10.082 0.716 1.00 0.00 O ATOM 1016 CB ASP A 64 2.623 -10.409 2.760 1.00 0.00 C ATOM 1017 CG ASP A 64 3.263 -9.414 3.730 1.00 0.00 C ATOM 1018 OD1 ASP A 64 2.701 -8.305 3.859 1.00 0.00 O ATOM 1019 OD2 ASP A 64 4.301 -9.784 4.321 1.00 0.00 O ATOM 0 H ASP A 64 1.063 -11.114 0.962 1.00 0.00 H new ATOM 0 HA ASP A 64 2.910 -9.052 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.546 -10.415 2.928 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.988 -11.409 2.995 1.00 0.00 H new ATOM 1024 N ARG A 65 4.196 -12.096 0.810 1.00 0.00 N ATOM 1025 CA ARG A 65 5.393 -12.844 0.462 1.00 0.00 C ATOM 1026 C ARG A 65 5.734 -12.640 -1.016 1.00 0.00 C ATOM 1027 O ARG A 65 6.902 -12.688 -1.398 1.00 0.00 O ATOM 1028 CB ARG A 65 5.208 -14.337 0.734 1.00 0.00 C ATOM 1029 CG ARG A 65 4.571 -15.040 -0.467 1.00 0.00 C ATOM 1030 CD ARG A 65 4.104 -16.448 -0.094 1.00 0.00 C ATOM 1031 NE ARG A 65 4.476 -17.404 -1.161 1.00 0.00 N ATOM 1032 CZ ARG A 65 5.713 -17.890 -1.337 1.00 0.00 C ATOM 1033 NH1 ARG A 65 6.703 -17.514 -0.517 1.00 0.00 N ATOM 1034 NH2 ARG A 65 5.958 -18.753 -2.332 1.00 0.00 N ATOM 0 H ARG A 65 3.366 -12.668 0.968 1.00 0.00 H new ATOM 0 HA ARG A 65 6.209 -12.472 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.173 -14.792 0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.581 -14.475 1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.724 -14.456 -0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.291 -15.096 -1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.555 -16.751 0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.024 -16.455 0.052 1.00 0.00 H new ATOM 0 HE ARG A 65 3.745 -17.712 -1.803 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.516 -16.858 0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.644 -17.884 -0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.203 -19.040 -2.955 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.899 -19.123 -2.466 1.00 0.00 H new ATOM 1048 N LYS A 66 4.694 -12.419 -1.806 1.00 0.00 N ATOM 1049 CA LYS A 66 4.870 -12.209 -3.232 1.00 0.00 C ATOM 1050 C LYS A 66 5.664 -10.920 -3.460 1.00 0.00 C ATOM 1051 O LYS A 66 6.465 -10.837 -4.389 1.00 0.00 O ATOM 1052 CB LYS A 66 3.517 -12.231 -3.948 1.00 0.00 C ATOM 1053 CG LYS A 66 3.678 -11.908 -5.434 1.00 0.00 C ATOM 1054 CD LYS A 66 2.976 -12.956 -6.302 1.00 0.00 C ATOM 1055 CE LYS A 66 3.965 -14.015 -6.790 1.00 0.00 C ATOM 1056 NZ LYS A 66 3.758 -15.290 -6.067 1.00 0.00 N ATOM 0 H LYS A 66 3.726 -12.381 -1.485 1.00 0.00 H new ATOM 0 HA LYS A 66 5.450 -13.023 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.057 -13.212 -3.833 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.845 -11.508 -3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.264 -10.921 -5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.737 -11.870 -5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.180 -13.433 -5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.507 -12.470 -7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.839 -14.173 -7.861 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.986 -13.665 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.438 -15.998 -6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.901 -15.138 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.790 -15.630 -6.234 1.00 0.00 H new ATOM 1070 N SER A 67 5.414 -9.948 -2.596 1.00 0.00 N ATOM 1071 CA SER A 67 6.095 -8.668 -2.690 1.00 0.00 C ATOM 1072 C SER A 67 7.248 -8.614 -1.686 1.00 0.00 C ATOM 1073 O SER A 67 7.546 -7.557 -1.132 1.00 0.00 O ATOM 1074 CB SER A 67 5.126 -7.509 -2.448 1.00 0.00 C ATOM 1075 OG SER A 67 5.515 -6.333 -3.153 1.00 0.00 O ATOM 0 H SER A 67 4.748 -10.021 -1.827 1.00 0.00 H new ATOM 0 HA SER A 67 6.495 -8.567 -3.699 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.124 -7.803 -2.759 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.078 -7.293 -1.381 1.00 0.00 H new ATOM 0 HG SER A 67 6.418 -6.070 -2.877 1.00 0.00 H new ATOM 1316 N GLN A 83 35.644 -8.068 -22.968 1.00 0.00 N ATOM 1317 CA GLN A 83 37.062 -8.337 -23.131 1.00 0.00 C ATOM 1318 C GLN A 83 37.287 -9.327 -24.276 1.00 0.00 C ATOM 1319 O GLN A 83 36.390 -10.093 -24.625 1.00 0.00 O ATOM 1320 CB GLN A 83 37.674 -8.856 -21.829 1.00 0.00 C ATOM 1321 CG GLN A 83 39.056 -8.244 -21.590 1.00 0.00 C ATOM 1322 CD GLN A 83 39.932 -9.178 -20.752 1.00 0.00 C ATOM 1323 OE1 GLN A 83 40.000 -10.375 -20.977 1.00 0.00 O ATOM 1324 NE2 GLN A 83 40.598 -8.566 -19.777 1.00 0.00 N ATOM 0 HA GLN A 83 37.563 -7.402 -23.382 1.00 0.00 H new ATOM 0 HB2 GLN A 83 37.017 -8.616 -20.993 1.00 0.00 H new ATOM 0 HB3 GLN A 83 37.755 -9.942 -21.869 1.00 0.00 H new ATOM 0 HG2 GLN A 83 39.540 -8.046 -22.546 1.00 0.00 H new ATOM 0 HG3 GLN A 83 38.950 -7.286 -21.082 1.00 0.00 H new ATOM 0 HE21 GLN A 83 40.496 -7.560 -19.643 1.00 0.00 H new ATOM 0 HE22 GLN A 83 41.211 -9.103 -19.163 1.00 0.00 H new ATOM 1333 N SER A 84 38.491 -9.280 -24.829 1.00 0.00 N ATOM 1334 CA SER A 84 38.844 -10.163 -25.927 1.00 0.00 C ATOM 1335 C SER A 84 40.276 -9.879 -26.386 1.00 0.00 C ATOM 1336 O SER A 84 40.661 -8.723 -26.550 1.00 0.00 O ATOM 1337 CB SER A 84 37.871 -10.005 -27.097 1.00 0.00 C ATOM 1338 OG SER A 84 37.754 -8.647 -27.515 1.00 0.00 O ATOM 0 H SER A 84 39.233 -8.644 -24.537 1.00 0.00 H new ATOM 0 HA SER A 84 38.779 -11.192 -25.573 1.00 0.00 H new ATOM 0 HB2 SER A 84 38.210 -10.614 -27.935 1.00 0.00 H new ATOM 0 HB3 SER A 84 36.890 -10.380 -26.806 1.00 0.00 H new ATOM 0 HG SER A 84 37.125 -8.588 -28.265 1.00 0.00 H new ATOM 1344 N THR A 85 41.025 -10.955 -26.581 1.00 0.00 N ATOM 1345 CA THR A 85 42.406 -10.836 -27.017 1.00 0.00 C ATOM 1346 C THR A 85 42.751 -11.953 -28.003 1.00 0.00 C ATOM 1347 O THR A 85 42.027 -12.942 -28.105 1.00 0.00 O ATOM 1348 CB THR A 85 43.296 -10.827 -25.773 1.00 0.00 C ATOM 1349 OG1 THR A 85 42.573 -10.035 -24.835 1.00 0.00 O ATOM 1350 CG2 THR A 85 44.597 -10.051 -25.989 1.00 0.00 C ATOM 0 H THR A 85 40.702 -11.913 -26.445 1.00 0.00 H new ATOM 0 HA THR A 85 42.571 -9.904 -27.558 1.00 0.00 H new ATOM 0 HB THR A 85 43.528 -11.853 -25.486 1.00 0.00 H new ATOM 0 HG1 THR A 85 43.078 -9.978 -23.997 1.00 0.00 H new ATOM 0 HG21 THR A 85 45.191 -10.076 -25.076 1.00 0.00 H new ATOM 0 HG22 THR A 85 45.162 -10.507 -26.802 1.00 0.00 H new ATOM 0 HG23 THR A 85 44.366 -9.017 -26.243 1.00 0.00 H new ATOM 1358 N ASN A 86 43.857 -11.758 -28.706 1.00 0.00 N ATOM 1359 CA ASN A 86 44.308 -12.737 -29.680 1.00 0.00 C ATOM 1360 C ASN A 86 45.574 -12.221 -30.367 1.00 0.00 C ATOM 1361 O ASN A 86 45.811 -11.015 -30.416 1.00 0.00 O ATOM 1362 CB ASN A 86 43.247 -12.969 -30.758 1.00 0.00 C ATOM 1363 CG ASN A 86 43.225 -14.435 -31.198 1.00 0.00 C ATOM 1364 OD1 ASN A 86 43.837 -14.825 -32.178 1.00 0.00 O ATOM 1365 ND2 ASN A 86 42.486 -15.221 -30.421 1.00 0.00 N ATOM 0 H ASN A 86 44.454 -10.936 -28.620 1.00 0.00 H new ATOM 0 HA ASN A 86 44.500 -13.672 -29.154 1.00 0.00 H new ATOM 0 HB2 ASN A 86 42.266 -12.685 -30.376 1.00 0.00 H new ATOM 0 HB3 ASN A 86 43.451 -12.330 -31.618 1.00 0.00 H new ATOM 0 HD21 ASN A 86 42.406 -16.216 -30.631 1.00 0.00 H new ATOM 0 HD22 ASN A 86 41.999 -14.829 -29.615 1.00 0.00 H new ATOM 1372 N THR A 87 46.354 -13.161 -30.881 1.00 0.00 N ATOM 1373 CA THR A 87 47.590 -12.817 -31.563 1.00 0.00 C ATOM 1374 C THR A 87 47.653 -13.500 -32.931 1.00 0.00 C ATOM 1375 O THR A 87 46.899 -14.435 -33.196 1.00 0.00 O ATOM 1376 CB THR A 87 48.756 -13.187 -30.645 1.00 0.00 C ATOM 1377 OG1 THR A 87 48.575 -14.578 -30.397 1.00 0.00 O ATOM 1378 CG2 THR A 87 48.639 -12.543 -29.261 1.00 0.00 C ATOM 0 H THR A 87 46.154 -14.160 -30.839 1.00 0.00 H new ATOM 0 HA THR A 87 47.644 -11.747 -31.766 1.00 0.00 H new ATOM 0 HB THR A 87 49.694 -12.882 -31.109 1.00 0.00 H new ATOM 0 HG1 THR A 87 49.290 -14.901 -29.810 1.00 0.00 H new ATOM 0 HG21 THR A 87 49.492 -12.838 -28.649 1.00 0.00 H new ATOM 0 HG22 THR A 87 48.625 -11.458 -29.365 1.00 0.00 H new ATOM 0 HG23 THR A 87 47.717 -12.874 -28.782 1.00 0.00 H new ATOM 1386 N ALA A 88 48.559 -13.006 -33.762 1.00 0.00 N ATOM 1387 CA ALA A 88 48.730 -13.558 -35.096 1.00 0.00 C ATOM 1388 C ALA A 88 49.886 -12.839 -35.795 1.00 0.00 C ATOM 1389 O ALA A 88 49.714 -11.737 -36.313 1.00 0.00 O ATOM 1390 CB ALA A 88 47.416 -13.438 -35.870 1.00 0.00 C ATOM 0 H ALA A 88 49.182 -12.230 -33.538 1.00 0.00 H new ATOM 0 HA ALA A 88 48.982 -14.617 -35.044 1.00 0.00 H new ATOM 0 HB1 ALA A 88 47.544 -13.852 -36.870 1.00 0.00 H new ATOM 0 HB2 ALA A 88 46.634 -13.988 -35.347 1.00 0.00 H new ATOM 0 HB3 ALA A 88 47.133 -12.388 -35.945 1.00 0.00 H new ATOM 1396 N VAL A 89 51.038 -13.494 -35.787 1.00 0.00 N ATOM 1397 CA VAL A 89 52.222 -12.932 -36.415 1.00 0.00 C ATOM 1398 C VAL A 89 53.085 -14.065 -36.973 1.00 0.00 C ATOM 1399 O VAL A 89 53.631 -14.866 -36.216 1.00 0.00 O ATOM 1400 CB VAL A 89 52.971 -12.046 -35.419 1.00 0.00 C ATOM 1401 CG1 VAL A 89 53.484 -12.866 -34.232 1.00 0.00 C ATOM 1402 CG2 VAL A 89 54.117 -11.298 -36.103 1.00 0.00 C ATOM 0 H VAL A 89 51.177 -14.408 -35.356 1.00 0.00 H new ATOM 0 HA VAL A 89 51.943 -12.293 -37.253 1.00 0.00 H new ATOM 0 HB VAL A 89 52.268 -11.306 -35.037 1.00 0.00 H new ATOM 0 HG11 VAL A 89 54.013 -12.212 -33.539 1.00 0.00 H new ATOM 0 HG12 VAL A 89 52.642 -13.332 -33.720 1.00 0.00 H new ATOM 0 HG13 VAL A 89 54.163 -13.639 -34.591 1.00 0.00 H new ATOM 0 HG21 VAL A 89 54.633 -10.675 -35.372 1.00 0.00 H new ATOM 0 HG22 VAL A 89 54.819 -12.016 -36.527 1.00 0.00 H new ATOM 0 HG23 VAL A 89 53.717 -10.668 -36.898 1.00 0.00 H new ATOM 1412 N THR A 90 53.181 -14.097 -38.295 1.00 0.00 N ATOM 1413 CA THR A 90 53.968 -15.119 -38.963 1.00 0.00 C ATOM 1414 C THR A 90 55.148 -14.485 -39.704 1.00 0.00 C ATOM 1415 O THR A 90 55.073 -13.332 -40.126 1.00 0.00 O ATOM 1416 CB THR A 90 53.033 -15.913 -39.878 1.00 0.00 C ATOM 1417 OG1 THR A 90 52.090 -16.499 -38.984 1.00 0.00 O ATOM 1418 CG2 THR A 90 53.728 -17.113 -40.526 1.00 0.00 C ATOM 0 H THR A 90 52.727 -13.432 -38.920 1.00 0.00 H new ATOM 0 HA THR A 90 54.409 -15.810 -38.245 1.00 0.00 H new ATOM 0 HB THR A 90 52.642 -15.257 -40.656 1.00 0.00 H new ATOM 0 HG1 THR A 90 51.444 -17.031 -39.493 1.00 0.00 H new ATOM 0 HG21 THR A 90 53.021 -17.642 -41.165 1.00 0.00 H new ATOM 0 HG22 THR A 90 54.569 -16.766 -41.126 1.00 0.00 H new ATOM 0 HG23 THR A 90 54.090 -17.787 -39.749 1.00 0.00 H new ATOM 1426 N LEU A 91 56.209 -15.265 -39.838 1.00 0.00 N ATOM 1427 CA LEU A 91 57.404 -14.794 -40.520 1.00 0.00 C ATOM 1428 C LEU A 91 57.542 -15.523 -41.858 1.00 0.00 C ATOM 1429 O LEU A 91 57.417 -16.746 -41.920 1.00 0.00 O ATOM 1430 CB LEU A 91 58.628 -14.934 -39.613 1.00 0.00 C ATOM 1431 CG LEU A 91 59.949 -15.255 -40.316 1.00 0.00 C ATOM 1432 CD1 LEU A 91 60.357 -14.123 -41.261 1.00 0.00 C ATOM 1433 CD2 LEU A 91 61.046 -15.578 -39.300 1.00 0.00 C ATOM 0 H LEU A 91 56.267 -16.221 -39.486 1.00 0.00 H new ATOM 0 HA LEU A 91 57.322 -13.730 -40.743 1.00 0.00 H new ATOM 0 HB2 LEU A 91 58.752 -14.005 -39.056 1.00 0.00 H new ATOM 0 HB3 LEU A 91 58.427 -15.718 -38.883 1.00 0.00 H new ATOM 0 HG LEU A 91 59.803 -16.146 -40.926 1.00 0.00 H new ATOM 0 HD11 LEU A 91 61.299 -14.377 -41.747 1.00 0.00 H new ATOM 0 HD12 LEU A 91 59.584 -13.984 -42.017 1.00 0.00 H new ATOM 0 HD13 LEU A 91 60.479 -13.201 -40.693 1.00 0.00 H new ATOM 0 HD21 LEU A 91 61.974 -15.802 -39.826 1.00 0.00 H new ATOM 0 HD22 LEU A 91 61.198 -14.721 -38.644 1.00 0.00 H new ATOM 0 HD23 LEU A 91 60.748 -16.441 -38.705 1.00 0.00 H new ATOM 1445 N THR A 92 57.798 -14.742 -42.898 1.00 0.00 N ATOM 1446 CA THR A 92 57.955 -15.297 -44.231 1.00 0.00 C ATOM 1447 C THR A 92 58.939 -14.457 -45.046 1.00 0.00 C ATOM 1448 O THR A 92 58.978 -13.234 -44.910 1.00 0.00 O ATOM 1449 CB THR A 92 56.567 -15.397 -44.868 1.00 0.00 C ATOM 1450 OG1 THR A 92 56.835 -15.593 -46.253 1.00 0.00 O ATOM 1451 CG2 THR A 92 55.804 -14.072 -44.820 1.00 0.00 C ATOM 0 H THR A 92 57.901 -13.729 -42.844 1.00 0.00 H new ATOM 0 HA THR A 92 58.384 -16.298 -44.195 1.00 0.00 H new ATOM 0 HB THR A 92 55.988 -16.168 -44.359 1.00 0.00 H new ATOM 0 HG1 THR A 92 55.989 -15.670 -46.742 1.00 0.00 H new ATOM 0 HG21 THR A 92 54.826 -14.198 -45.285 1.00 0.00 H new ATOM 0 HG22 THR A 92 55.675 -13.764 -43.782 1.00 0.00 H new ATOM 0 HG23 THR A 92 56.366 -13.309 -45.358 1.00 0.00 H new