USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 521 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 69 SER OG : rot 180:sc= 0.886 USER MOD Set 1.2: A 74 SER OG : rot 40:sc= 1.2 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 20 HIS : no HD1:sc= -2.67 K(o=-2.7,f=-5.7!) USER MOD Single : A 24 CYS SG : rot 45:sc= 0.395 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.799! USER MOD Single : A 35 SER OG : rot 145:sc= -0.908 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.00943 X(o=0.0094,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 61:sc= 0.91 USER MOD Single : A 58 LYS NZ :NH3+ -145:sc= -0.309 (180deg=-0.856) USER MOD Single : A 60 CYS SG : rot 170:sc= -2.39! USER MOD Single : A 61 LYS NZ :NH3+ -158:sc= -0.0171 (180deg=-0.193) USER MOD Single : A 66 GLN : amide:sc= -1.73! C(o=-1.7!,f=-3.9!) USER MOD Single : A 67 THR OG1 : rot 160:sc= -2.01! USER MOD Single : A 73 HIS : no HD1:sc= -0.708 K(o=-0.71,f=-1.6!) USER MOD Single : A 76 GLN : amide:sc= -0.436 K(o=-0.44,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 11 -7.758 -1.211 7.139 1.00 0.00 N ATOM 158 CA ALA A 11 -6.833 -0.880 6.063 1.00 0.00 C ATOM 159 C ALA A 11 -7.464 -1.130 4.700 1.00 0.00 C ATOM 160 O ALA A 11 -7.270 -2.186 4.103 1.00 0.00 O ATOM 161 CB ALA A 11 -5.551 -1.685 6.200 1.00 0.00 C ATOM 0 HA ALA A 11 -6.596 0.181 6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.870 -1.426 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.079 -1.458 7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.783 -2.749 6.154 1.00 0.00 H new ATOM 167 N THR A 12 -8.213 -0.153 4.206 1.00 0.00 N ATOM 168 CA THR A 12 -8.857 -0.278 2.906 1.00 0.00 C ATOM 169 C THR A 12 -8.777 1.035 2.134 1.00 0.00 C ATOM 170 O THR A 12 -9.436 2.013 2.485 1.00 0.00 O ATOM 171 CB THR A 12 -10.313 -0.710 3.075 1.00 0.00 C ATOM 172 OG1 THR A 12 -10.769 -0.435 4.388 1.00 0.00 O ATOM 173 CG2 THR A 12 -10.524 -2.183 2.817 1.00 0.00 C ATOM 0 H THR A 12 -8.389 0.731 4.684 1.00 0.00 H new ATOM 0 HA THR A 12 -8.330 -1.042 2.334 1.00 0.00 H new ATOM 0 HB THR A 12 -10.875 -0.139 2.336 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.703 -0.717 4.476 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.577 -2.429 2.953 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.225 -2.420 1.796 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.923 -2.765 3.516 1.00 0.00 H new ATOM 181 N PHE A 13 -7.965 1.049 1.082 1.00 0.00 N ATOM 182 CA PHE A 13 -7.794 2.243 0.258 1.00 0.00 C ATOM 183 C PHE A 13 -8.656 2.166 -1.003 1.00 0.00 C ATOM 184 O PHE A 13 -9.247 1.128 -1.296 1.00 0.00 O ATOM 185 CB PHE A 13 -6.320 2.401 -0.126 1.00 0.00 C ATOM 186 CG PHE A 13 -6.001 3.702 -0.805 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.319 4.908 -0.201 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.383 3.719 -2.045 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.028 6.107 -0.824 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.090 4.914 -2.673 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.413 6.110 -2.060 1.00 0.00 C ATOM 0 H PHE A 13 -7.414 0.246 0.779 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.113 3.109 0.837 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.710 2.313 0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.037 1.580 -0.785 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.799 4.911 0.766 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.127 2.787 -2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.282 7.041 -0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.610 4.914 -3.640 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.184 7.046 -2.548 1.00 0.00 H new ATOM 201 N SER A 14 -8.732 3.279 -1.733 1.00 0.00 N ATOM 202 CA SER A 14 -9.522 3.349 -2.960 1.00 0.00 C ATOM 203 C SER A 14 -8.625 3.370 -4.200 1.00 0.00 C ATOM 204 O SER A 14 -7.605 4.058 -4.226 1.00 0.00 O ATOM 205 CB SER A 14 -10.409 4.598 -2.944 1.00 0.00 C ATOM 206 OG SER A 14 -11.665 4.326 -2.348 1.00 0.00 O ATOM 0 H SER A 14 -8.253 4.147 -1.493 1.00 0.00 H new ATOM 0 HA SER A 14 -10.147 2.457 -3.006 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.908 5.396 -2.396 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.557 4.956 -3.963 1.00 0.00 H new ATOM 0 HG SER A 14 -12.211 5.140 -2.349 1.00 0.00 H new ATOM 212 N LEU A 15 -9.022 2.622 -5.230 1.00 0.00 N ATOM 213 CA LEU A 15 -8.260 2.566 -6.481 1.00 0.00 C ATOM 214 C LEU A 15 -9.168 2.767 -7.690 1.00 0.00 C ATOM 215 O LEU A 15 -8.784 3.408 -8.668 1.00 0.00 O ATOM 216 CB LEU A 15 -7.533 1.228 -6.620 1.00 0.00 C ATOM 217 CG LEU A 15 -6.025 1.332 -6.854 1.00 0.00 C ATOM 218 CD1 LEU A 15 -5.737 1.992 -8.194 1.00 0.00 C ATOM 219 CD2 LEU A 15 -5.363 2.102 -5.720 1.00 0.00 C ATOM 0 H LEU A 15 -9.865 2.047 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.528 3.373 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.706 0.642 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.977 0.675 -7.448 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.607 0.325 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.659 2.057 -8.343 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.179 1.398 -8.994 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.166 2.994 -8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.290 2.167 -5.902 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.784 3.106 -5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.540 1.585 -4.777 1.00 0.00 H new ATOM 231 N GLY A 16 -10.372 2.205 -7.618 1.00 0.00 N ATOM 232 CA GLY A 16 -11.322 2.316 -8.713 1.00 0.00 C ATOM 233 C GLY A 16 -11.402 3.718 -9.289 1.00 0.00 C ATOM 234 O GLY A 16 -11.726 3.894 -10.463 1.00 0.00 O ATOM 0 H GLY A 16 -10.708 1.672 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.040 1.620 -9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.309 2.017 -8.362 1.00 0.00 H new ATOM 238 N LYS A 17 -11.109 4.715 -8.460 1.00 0.00 N ATOM 239 CA LYS A 17 -11.150 6.106 -8.888 1.00 0.00 C ATOM 240 C LYS A 17 -10.262 6.336 -10.111 1.00 0.00 C ATOM 241 O LYS A 17 -10.635 7.068 -11.030 1.00 0.00 O ATOM 242 CB LYS A 17 -10.707 7.018 -7.742 1.00 0.00 C ATOM 243 CG LYS A 17 -11.783 7.989 -7.284 1.00 0.00 C ATOM 244 CD LYS A 17 -11.296 8.855 -6.135 1.00 0.00 C ATOM 245 CE LYS A 17 -11.890 8.405 -4.811 1.00 0.00 C ATOM 246 NZ LYS A 17 -11.366 9.201 -3.669 1.00 0.00 N ATOM 0 H LYS A 17 -10.840 4.583 -7.485 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.177 6.345 -9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.402 6.402 -6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.830 7.583 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.082 8.623 -8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.668 7.434 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.208 8.812 -6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.565 9.895 -6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.975 8.497 -4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.665 7.350 -4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.796 8.863 -2.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.333 9.093 -3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.603 10.204 -3.808 1.00 0.00 H new ATOM 260 N HIS A 18 -9.088 5.716 -10.111 1.00 0.00 N ATOM 261 CA HIS A 18 -8.144 5.863 -11.214 1.00 0.00 C ATOM 262 C HIS A 18 -7.847 4.516 -11.875 1.00 0.00 C ATOM 263 O HIS A 18 -8.116 3.461 -11.300 1.00 0.00 O ATOM 264 CB HIS A 18 -6.847 6.495 -10.704 1.00 0.00 C ATOM 265 CG HIS A 18 -7.038 7.875 -10.157 1.00 0.00 C ATOM 266 ND1 HIS A 18 -6.788 8.204 -8.843 1.00 0.00 N ATOM 267 CD2 HIS A 18 -7.460 9.016 -10.754 1.00 0.00 C ATOM 268 CE1 HIS A 18 -7.047 9.484 -8.651 1.00 0.00 C ATOM 269 NE2 HIS A 18 -7.455 10.000 -9.795 1.00 0.00 N ATOM 0 H HIS A 18 -8.766 5.106 -9.359 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.595 6.512 -11.964 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.422 5.859 -9.928 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.123 6.531 -11.518 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.746 9.130 -11.789 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.943 10.017 -7.718 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.723 10.973 -9.943 1.00 0.00 H new ATOM 277 N PRO A 19 -7.284 4.533 -13.099 1.00 0.00 N ATOM 278 CA PRO A 19 -6.951 3.307 -13.835 1.00 0.00 C ATOM 279 C PRO A 19 -5.961 2.423 -13.080 1.00 0.00 C ATOM 280 O PRO A 19 -5.953 1.206 -13.252 1.00 0.00 O ATOM 281 CB PRO A 19 -6.322 3.818 -15.140 1.00 0.00 C ATOM 282 CG PRO A 19 -5.928 5.227 -14.855 1.00 0.00 C ATOM 283 CD PRO A 19 -6.929 5.742 -13.863 1.00 0.00 C ATOM 0 HA PRO A 19 -7.831 2.683 -13.990 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.458 3.217 -15.423 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.031 3.766 -15.966 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.917 5.276 -14.451 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.936 5.827 -15.765 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.503 6.514 -13.223 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.798 6.179 -14.355 1.00 0.00 H new ATOM 291 N HIS A 20 -5.131 3.051 -12.248 1.00 0.00 N ATOM 292 CA HIS A 20 -4.128 2.338 -11.456 1.00 0.00 C ATOM 293 C HIS A 20 -3.285 3.331 -10.659 1.00 0.00 C ATOM 294 O HIS A 20 -3.481 4.540 -10.772 1.00 0.00 O ATOM 295 CB HIS A 20 -3.244 1.467 -12.358 1.00 0.00 C ATOM 296 CG HIS A 20 -2.106 2.203 -12.977 1.00 0.00 C ATOM 297 ND1 HIS A 20 -1.008 2.605 -12.257 1.00 0.00 N ATOM 298 CD2 HIS A 20 -1.894 2.612 -14.250 1.00 0.00 C ATOM 299 CE1 HIS A 20 -0.168 3.231 -13.052 1.00 0.00 C ATOM 300 NE2 HIS A 20 -0.677 3.250 -14.269 1.00 0.00 N ATOM 0 H HIS A 20 -5.134 4.061 -12.104 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.640 1.680 -10.754 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.851 0.636 -11.772 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.859 1.037 -13.148 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.556 2.465 -15.091 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.779 3.658 -12.758 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.239 3.669 -15.089 1.00 0.00 H new ATOM 308 N VAL A 21 -2.348 2.827 -9.856 1.00 0.00 N ATOM 309 CA VAL A 21 -1.500 3.712 -9.057 1.00 0.00 C ATOM 310 C VAL A 21 -0.083 3.185 -8.878 1.00 0.00 C ATOM 311 O VAL A 21 0.207 2.019 -9.139 1.00 0.00 O ATOM 312 CB VAL A 21 -2.074 3.936 -7.649 1.00 0.00 C ATOM 313 CG1 VAL A 21 -3.332 4.791 -7.695 1.00 0.00 C ATOM 314 CG2 VAL A 21 -2.343 2.603 -6.967 1.00 0.00 C ATOM 0 H VAL A 21 -2.159 1.831 -9.742 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.474 4.644 -9.621 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.332 4.478 -7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.714 4.931 -6.684 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.097 5.761 -8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.088 4.294 -8.302 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.749 2.779 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.061 2.031 -7.556 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.412 2.042 -6.885 1.00 0.00 H new ATOM 324 N GLU A 22 0.783 4.073 -8.395 1.00 0.00 N ATOM 325 CA GLU A 22 2.173 3.745 -8.125 1.00 0.00 C ATOM 326 C GLU A 22 2.345 3.494 -6.629 1.00 0.00 C ATOM 327 O GLU A 22 1.686 4.138 -5.812 1.00 0.00 O ATOM 328 CB GLU A 22 3.077 4.895 -8.594 1.00 0.00 C ATOM 329 CG GLU A 22 4.538 4.748 -8.197 1.00 0.00 C ATOM 330 CD GLU A 22 5.279 6.072 -8.209 1.00 0.00 C ATOM 331 OE1 GLU A 22 4.963 6.938 -7.366 1.00 0.00 O ATOM 332 OE2 GLU A 22 6.176 6.241 -9.060 1.00 0.00 O ATOM 0 H GLU A 22 0.537 5.039 -8.181 1.00 0.00 H new ATOM 0 HA GLU A 22 2.457 2.844 -8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.014 4.971 -9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.695 5.831 -8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.598 4.311 -7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.029 4.054 -8.880 1.00 0.00 H new ATOM 339 N LEU A 23 3.209 2.547 -6.268 1.00 0.00 N ATOM 340 CA LEU A 23 3.435 2.214 -4.859 1.00 0.00 C ATOM 341 C LEU A 23 3.484 3.464 -3.987 1.00 0.00 C ATOM 342 O LEU A 23 2.852 3.519 -2.935 1.00 0.00 O ATOM 343 CB LEU A 23 4.733 1.425 -4.690 1.00 0.00 C ATOM 344 CG LEU A 23 5.938 1.993 -5.437 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.753 2.901 -4.525 1.00 0.00 C ATOM 346 CD2 LEU A 23 6.803 0.867 -5.987 1.00 0.00 C ATOM 0 H LEU A 23 3.762 1.998 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 23 2.594 1.600 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.974 1.375 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.565 0.402 -5.027 1.00 0.00 H new ATOM 0 HG LEU A 23 5.576 2.588 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.607 3.296 -5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.129 3.726 -4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.106 2.331 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.657 1.290 -6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.157 0.245 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.215 0.259 -6.674 1.00 0.00 H new ATOM 358 N CYS A 24 4.235 4.467 -4.429 1.00 0.00 N ATOM 359 CA CYS A 24 4.358 5.711 -3.681 1.00 0.00 C ATOM 360 C CYS A 24 3.008 6.406 -3.555 1.00 0.00 C ATOM 361 O CYS A 24 2.693 6.985 -2.516 1.00 0.00 O ATOM 362 CB CYS A 24 5.362 6.641 -4.361 1.00 0.00 C ATOM 363 SG CYS A 24 6.047 7.907 -3.267 1.00 0.00 S ATOM 0 H CYS A 24 4.766 4.442 -5.299 1.00 0.00 H new ATOM 0 HA CYS A 24 4.716 5.470 -2.680 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.179 6.044 -4.765 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.876 7.129 -5.206 1.00 0.00 H new ATOM 0 HG CYS A 24 6.370 7.368 -2.129 1.00 0.00 H new ATOM 369 N ASP A 25 2.212 6.344 -4.617 1.00 0.00 N ATOM 370 CA ASP A 25 0.892 6.966 -4.625 1.00 0.00 C ATOM 371 C ASP A 25 -0.038 6.280 -3.631 1.00 0.00 C ATOM 372 O ASP A 25 -0.580 6.919 -2.731 1.00 0.00 O ATOM 373 CB ASP A 25 0.282 6.906 -6.027 1.00 0.00 C ATOM 374 CG ASP A 25 1.196 7.491 -7.085 1.00 0.00 C ATOM 375 OD1 ASP A 25 2.150 8.207 -6.717 1.00 0.00 O ATOM 376 OD2 ASP A 25 0.955 7.235 -8.284 1.00 0.00 O ATOM 0 H ASP A 25 2.458 5.868 -5.485 1.00 0.00 H new ATOM 0 HA ASP A 25 1.011 8.009 -4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.058 5.869 -6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.665 7.446 -6.031 1.00 0.00 H new ATOM 381 N LEU A 26 -0.221 4.977 -3.807 1.00 0.00 N ATOM 382 CA LEU A 26 -1.090 4.203 -2.931 1.00 0.00 C ATOM 383 C LEU A 26 -0.655 4.332 -1.474 1.00 0.00 C ATOM 384 O LEU A 26 -1.490 4.472 -0.580 1.00 0.00 O ATOM 385 CB LEU A 26 -1.090 2.733 -3.352 1.00 0.00 C ATOM 386 CG LEU A 26 -1.922 1.810 -2.463 1.00 0.00 C ATOM 387 CD1 LEU A 26 -2.611 0.741 -3.294 1.00 0.00 C ATOM 388 CD2 LEU A 26 -1.049 1.171 -1.395 1.00 0.00 C ATOM 0 H LEU A 26 0.221 4.434 -4.549 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.101 4.599 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.463 2.663 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.061 2.373 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.689 2.409 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.198 0.095 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.269 1.214 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.861 0.146 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.658 0.517 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.260 0.588 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.602 1.949 -0.777 1.00 0.00 H new ATOM 400 N LEU A 27 0.652 4.281 -1.241 1.00 0.00 N ATOM 401 CA LEU A 27 1.196 4.388 0.109 1.00 0.00 C ATOM 402 C LEU A 27 0.932 5.771 0.696 1.00 0.00 C ATOM 403 O LEU A 27 0.246 5.904 1.709 1.00 0.00 O ATOM 404 CB LEU A 27 2.701 4.103 0.098 1.00 0.00 C ATOM 405 CG LEU A 27 3.084 2.666 0.440 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.323 1.683 -0.437 1.00 0.00 C ATOM 407 CD2 LEU A 27 4.586 2.462 0.303 1.00 0.00 C ATOM 0 H LEU A 27 1.356 4.166 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 27 0.697 3.648 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.095 4.344 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.188 4.772 0.807 1.00 0.00 H new ATOM 0 HG LEU A 27 2.809 2.478 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.611 0.665 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.252 1.809 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.560 1.871 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.837 1.431 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.890 2.673 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.108 3.136 0.982 1.00 0.00 H new ATOM 419 N LYS A 28 1.490 6.797 0.056 1.00 0.00 N ATOM 420 CA LYS A 28 1.327 8.174 0.514 1.00 0.00 C ATOM 421 C LYS A 28 -0.139 8.499 0.790 1.00 0.00 C ATOM 422 O LYS A 28 -0.492 8.934 1.885 1.00 0.00 O ATOM 423 CB LYS A 28 1.890 9.152 -0.519 1.00 0.00 C ATOM 424 CG LYS A 28 1.858 10.603 -0.059 1.00 0.00 C ATOM 425 CD LYS A 28 1.232 11.513 -1.107 1.00 0.00 C ATOM 426 CE LYS A 28 -0.283 11.563 -0.974 1.00 0.00 C ATOM 427 NZ LYS A 28 -0.743 12.813 -0.306 1.00 0.00 N ATOM 0 H LYS A 28 2.061 6.699 -0.784 1.00 0.00 H new ATOM 0 HA LYS A 28 1.882 8.279 1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.919 8.874 -0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.321 9.059 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.294 10.677 0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.872 10.939 0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.640 12.519 -1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.499 11.159 -2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.736 11.492 -1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.626 10.700 -0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.781 12.807 -0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.331 12.869 0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.439 13.637 -0.863 1.00 0.00 H new ATOM 441 N LEU A 29 -0.985 8.294 -0.214 1.00 0.00 N ATOM 442 CA LEU A 29 -2.411 8.573 -0.080 1.00 0.00 C ATOM 443 C LEU A 29 -3.002 7.863 1.134 1.00 0.00 C ATOM 444 O LEU A 29 -3.833 8.423 1.848 1.00 0.00 O ATOM 445 CB LEU A 29 -3.158 8.147 -1.342 1.00 0.00 C ATOM 446 CG LEU A 29 -3.095 9.144 -2.499 1.00 0.00 C ATOM 447 CD1 LEU A 29 -3.154 8.419 -3.834 1.00 0.00 C ATOM 448 CD2 LEU A 29 -4.220 10.163 -2.392 1.00 0.00 C ATOM 0 H LEU A 29 -0.709 7.936 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.527 9.648 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.753 7.194 -1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.204 7.976 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.146 9.676 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.108 9.146 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.311 7.733 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.086 7.858 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.157 10.863 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.181 9.649 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.129 10.708 -1.452 1.00 0.00 H new ATOM 460 N GLU A 30 -2.575 6.624 1.362 1.00 0.00 N ATOM 461 CA GLU A 30 -3.073 5.846 2.487 1.00 0.00 C ATOM 462 C GLU A 30 -2.500 6.344 3.813 1.00 0.00 C ATOM 463 O GLU A 30 -3.017 6.010 4.879 1.00 0.00 O ATOM 464 CB GLU A 30 -2.725 4.369 2.308 1.00 0.00 C ATOM 465 CG GLU A 30 -3.913 3.504 1.931 1.00 0.00 C ATOM 466 CD GLU A 30 -4.572 2.863 3.137 1.00 0.00 C ATOM 467 OE1 GLU A 30 -4.068 3.059 4.264 1.00 0.00 O ATOM 468 OE2 GLU A 30 -5.593 2.167 2.959 1.00 0.00 O ATOM 0 H GLU A 30 -1.888 6.141 0.784 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.156 5.968 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.960 4.276 1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.292 3.992 3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.646 4.111 1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.587 2.725 1.243 1.00 0.00 H new ATOM 475 N GLY A 31 -1.443 7.151 3.749 1.00 0.00 N ATOM 476 CA GLY A 31 -0.845 7.676 4.962 1.00 0.00 C ATOM 477 C GLY A 31 0.339 6.857 5.452 1.00 0.00 C ATOM 478 O GLY A 31 0.672 6.896 6.638 1.00 0.00 O ATOM 0 H GLY A 31 -0.993 7.448 2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.520 8.701 4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.602 7.713 5.746 1.00 0.00 H new ATOM 482 N TRP A 32 0.986 6.120 4.549 1.00 0.00 N ATOM 483 CA TRP A 32 2.141 5.308 4.926 1.00 0.00 C ATOM 484 C TRP A 32 3.344 6.202 5.199 1.00 0.00 C ATOM 485 O TRP A 32 3.894 6.204 6.302 1.00 0.00 O ATOM 486 CB TRP A 32 2.486 4.293 3.827 1.00 0.00 C ATOM 487 CG TRP A 32 1.400 3.293 3.573 1.00 0.00 C ATOM 488 CD1 TRP A 32 0.065 3.552 3.461 1.00 0.00 C ATOM 489 CD2 TRP A 32 1.547 1.872 3.396 1.00 0.00 C ATOM 490 NE1 TRP A 32 -0.625 2.391 3.227 1.00 0.00 N ATOM 491 CE2 TRP A 32 0.257 1.352 3.180 1.00 0.00 C ATOM 492 CE3 TRP A 32 2.635 0.982 3.394 1.00 0.00 C ATOM 493 CZ2 TRP A 32 0.025 0.001 2.968 1.00 0.00 C ATOM 494 CZ3 TRP A 32 2.390 -0.364 3.182 1.00 0.00 C ATOM 495 CH2 TRP A 32 1.091 -0.838 2.971 1.00 0.00 C ATOM 0 H TRP A 32 0.733 6.069 3.562 1.00 0.00 H new ATOM 0 HA TRP A 32 1.886 4.759 5.832 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.698 4.829 2.902 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.398 3.764 4.105 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -0.383 4.531 3.545 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.635 2.316 3.107 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.641 1.341 3.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.975 -0.372 2.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.216 -1.060 3.179 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.933 -1.894 2.807 1.00 0.00 H new ATOM 506 N SER A 33 3.736 6.971 4.188 1.00 0.00 N ATOM 507 CA SER A 33 4.865 7.888 4.308 1.00 0.00 C ATOM 508 C SER A 33 4.372 9.326 4.431 1.00 0.00 C ATOM 509 O SER A 33 3.436 9.728 3.743 1.00 0.00 O ATOM 510 CB SER A 33 5.788 7.761 3.093 1.00 0.00 C ATOM 511 OG SER A 33 7.065 8.311 3.367 1.00 0.00 O ATOM 0 H SER A 33 3.286 6.977 3.272 1.00 0.00 H new ATOM 0 HA SER A 33 5.423 7.626 5.207 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.891 6.711 2.818 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.343 8.272 2.239 1.00 0.00 H new ATOM 0 HG SER A 33 7.638 8.217 2.577 1.00 0.00 H new ATOM 517 N GLU A 34 5.003 10.096 5.311 1.00 0.00 N ATOM 518 CA GLU A 34 4.615 11.489 5.512 1.00 0.00 C ATOM 519 C GLU A 34 4.971 12.331 4.291 1.00 0.00 C ATOM 520 O GLU A 34 4.260 13.273 3.944 1.00 0.00 O ATOM 521 CB GLU A 34 5.304 12.057 6.753 1.00 0.00 C ATOM 522 CG GLU A 34 4.459 13.064 7.515 1.00 0.00 C ATOM 523 CD GLU A 34 4.622 12.934 9.016 1.00 0.00 C ATOM 524 OE1 GLU A 34 4.724 11.789 9.502 1.00 0.00 O ATOM 525 OE2 GLU A 34 4.652 13.976 9.703 1.00 0.00 O ATOM 0 H GLU A 34 5.780 9.783 5.893 1.00 0.00 H new ATOM 0 HA GLU A 34 3.535 11.524 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.565 11.236 7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.238 12.533 6.453 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.735 14.073 7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.410 12.927 7.253 1.00 0.00 H new ATOM 532 N SER A 35 6.072 11.980 3.636 1.00 0.00 N ATOM 533 CA SER A 35 6.514 12.700 2.449 1.00 0.00 C ATOM 534 C SER A 35 6.229 11.888 1.194 1.00 0.00 C ATOM 535 O SER A 35 5.785 12.424 0.177 1.00 0.00 O ATOM 536 CB SER A 35 8.012 13.013 2.538 1.00 0.00 C ATOM 537 OG SER A 35 8.787 11.978 1.956 1.00 0.00 O ATOM 0 H SER A 35 6.674 11.202 3.907 1.00 0.00 H new ATOM 0 HA SER A 35 5.960 13.637 2.394 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.220 13.956 2.032 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.298 13.142 3.582 1.00 0.00 H new ATOM 0 HG SER A 35 9.574 12.365 1.519 1.00 0.00 H new ATOM 543 N GLY A 36 6.499 10.589 1.272 1.00 0.00 N ATOM 544 CA GLY A 36 6.282 9.712 0.140 1.00 0.00 C ATOM 545 C GLY A 36 7.507 8.877 -0.178 1.00 0.00 C ATOM 546 O GLY A 36 7.399 7.679 -0.444 1.00 0.00 O ATOM 0 H GLY A 36 6.866 10.128 2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.439 9.053 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.013 10.307 -0.733 1.00 0.00 H new ATOM 550 N ALA A 37 8.677 9.511 -0.149 1.00 0.00 N ATOM 551 CA ALA A 37 9.933 8.822 -0.436 1.00 0.00 C ATOM 552 C ALA A 37 11.007 9.135 0.607 1.00 0.00 C ATOM 553 O ALA A 37 12.152 8.701 0.475 1.00 0.00 O ATOM 554 CB ALA A 37 10.423 9.193 -1.828 1.00 0.00 C ATOM 0 H ALA A 37 8.782 10.502 0.071 1.00 0.00 H new ATOM 0 HA ALA A 37 9.741 7.750 -0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 37 11.360 8.675 -2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.677 8.900 -2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.584 10.270 -1.882 1.00 0.00 H new ATOM 560 N GLN A 38 10.638 9.887 1.642 1.00 0.00 N ATOM 561 CA GLN A 38 11.577 10.251 2.700 1.00 0.00 C ATOM 562 C GLN A 38 12.257 9.010 3.273 1.00 0.00 C ATOM 563 O GLN A 38 13.448 8.786 3.056 1.00 0.00 O ATOM 564 CB GLN A 38 10.853 11.019 3.811 1.00 0.00 C ATOM 565 CG GLN A 38 11.743 11.378 4.990 1.00 0.00 C ATOM 566 CD GLN A 38 12.149 12.840 4.992 1.00 0.00 C ATOM 567 OE1 GLN A 38 11.370 13.715 5.371 1.00 0.00 O ATOM 568 NE2 GLN A 38 13.379 13.113 4.571 1.00 0.00 N ATOM 0 H GLN A 38 9.696 10.256 1.770 1.00 0.00 H new ATOM 0 HA GLN A 38 12.345 10.894 2.269 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.433 11.934 3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.016 10.419 4.169 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.220 11.149 5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.638 10.756 4.967 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.993 12.358 4.265 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.710 14.078 4.553 1.00 0.00 H new ATOM 577 N ALA A 39 11.491 8.202 4.003 1.00 0.00 N ATOM 578 CA ALA A 39 12.013 6.980 4.609 1.00 0.00 C ATOM 579 C ALA A 39 12.207 5.867 3.577 1.00 0.00 C ATOM 580 O ALA A 39 12.350 4.699 3.940 1.00 0.00 O ATOM 581 CB ALA A 39 11.077 6.508 5.713 1.00 0.00 C ATOM 0 H ALA A 39 10.503 8.373 4.189 1.00 0.00 H new ATOM 0 HA ALA A 39 12.991 7.212 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.473 5.596 6.160 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.996 7.281 6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.091 6.308 5.293 1.00 0.00 H new ATOM 587 N LYS A 40 12.197 6.227 2.293 1.00 0.00 N ATOM 588 CA LYS A 40 12.360 5.250 1.224 1.00 0.00 C ATOM 589 C LYS A 40 11.190 4.275 1.221 1.00 0.00 C ATOM 590 O LYS A 40 11.303 3.154 0.728 1.00 0.00 O ATOM 591 CB LYS A 40 13.680 4.490 1.382 1.00 0.00 C ATOM 592 CG LYS A 40 14.908 5.371 1.218 1.00 0.00 C ATOM 593 CD LYS A 40 16.139 4.556 0.854 1.00 0.00 C ATOM 594 CE LYS A 40 17.279 4.799 1.829 1.00 0.00 C ATOM 595 NZ LYS A 40 18.380 3.814 1.657 1.00 0.00 N ATOM 0 H LYS A 40 12.078 7.188 1.972 1.00 0.00 H new ATOM 0 HA LYS A 40 12.381 5.781 0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 40 13.706 4.023 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.718 3.686 0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.722 6.115 0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.092 5.915 2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.885 3.496 0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.461 4.813 -0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 40 17.669 5.807 1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.901 4.745 2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.137 4.016 2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.015 2.854 1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.759 3.883 0.691 1.00 0.00 H new ATOM 609 N ILE A 41 10.066 4.713 1.782 1.00 0.00 N ATOM 610 CA ILE A 41 8.874 3.884 1.855 1.00 0.00 C ATOM 611 C ILE A 41 8.361 3.514 0.467 1.00 0.00 C ATOM 612 O ILE A 41 7.610 2.551 0.309 1.00 0.00 O ATOM 613 CB ILE A 41 7.756 4.592 2.647 1.00 0.00 C ATOM 614 CG1 ILE A 41 8.288 5.042 4.012 1.00 0.00 C ATOM 615 CG2 ILE A 41 6.548 3.680 2.810 1.00 0.00 C ATOM 616 CD1 ILE A 41 7.239 5.678 4.899 1.00 0.00 C ATOM 0 H ILE A 41 9.959 5.641 2.193 1.00 0.00 H new ATOM 0 HA ILE A 41 9.155 2.968 2.375 1.00 0.00 H new ATOM 0 HB ILE A 41 7.435 5.472 2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.712 4.181 4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.100 5.753 3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.772 4.201 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.163 3.407 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.842 2.779 3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.692 5.970 5.847 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.831 6.560 4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.438 4.963 5.085 1.00 0.00 H new ATOM 628 N ALA A 42 8.772 4.277 -0.538 1.00 0.00 N ATOM 629 CA ALA A 42 8.355 4.019 -1.909 1.00 0.00 C ATOM 630 C ALA A 42 9.059 2.788 -2.471 1.00 0.00 C ATOM 631 O ALA A 42 8.482 1.700 -2.530 1.00 0.00 O ATOM 632 CB ALA A 42 8.628 5.236 -2.782 1.00 0.00 C ATOM 0 H ALA A 42 9.393 5.079 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 42 7.283 3.823 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.311 5.029 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.074 6.092 -2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.695 5.460 -2.771 1.00 0.00 H new ATOM 638 N ILE A 43 10.313 2.965 -2.881 1.00 0.00 N ATOM 639 CA ILE A 43 11.097 1.866 -3.434 1.00 0.00 C ATOM 640 C ILE A 43 11.087 0.669 -2.492 1.00 0.00 C ATOM 641 O ILE A 43 11.021 -0.481 -2.932 1.00 0.00 O ATOM 642 CB ILE A 43 12.558 2.281 -3.704 1.00 0.00 C ATOM 643 CG1 ILE A 43 12.609 3.547 -4.562 1.00 0.00 C ATOM 644 CG2 ILE A 43 13.320 1.148 -4.379 1.00 0.00 C ATOM 645 CD1 ILE A 43 11.906 3.407 -5.895 1.00 0.00 C ATOM 0 H ILE A 43 10.806 3.857 -2.840 1.00 0.00 H new ATOM 0 HA ILE A 43 10.633 1.593 -4.382 1.00 0.00 H new ATOM 0 HB ILE A 43 13.035 2.495 -2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.157 4.370 -4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.651 3.815 -4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.349 1.459 -4.562 1.00 0.00 H new ATOM 0 HG22 ILE A 43 13.316 0.271 -3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.842 0.902 -5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.984 4.343 -6.447 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.372 2.607 -6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.855 3.170 -5.729 1.00 0.00 H new ATOM 657 N ALA A 44 11.140 0.946 -1.194 1.00 0.00 N ATOM 658 CA ALA A 44 11.125 -0.110 -0.194 1.00 0.00 C ATOM 659 C ALA A 44 9.864 -0.951 -0.338 1.00 0.00 C ATOM 660 O ALA A 44 9.932 -2.113 -0.739 1.00 0.00 O ATOM 661 CB ALA A 44 11.223 0.476 1.206 1.00 0.00 C ATOM 0 H ALA A 44 11.194 1.890 -0.812 1.00 0.00 H new ATOM 0 HA ALA A 44 11.991 -0.753 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.210 -0.330 1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.152 1.038 1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.377 1.140 1.382 1.00 0.00 H new ATOM 667 N GLU A 45 8.713 -0.359 -0.007 1.00 0.00 N ATOM 668 CA GLU A 45 7.429 -1.058 -0.103 1.00 0.00 C ATOM 669 C GLU A 45 7.414 -2.017 -1.285 1.00 0.00 C ATOM 670 O GLU A 45 6.998 -3.168 -1.157 1.00 0.00 O ATOM 671 CB GLU A 45 6.278 -0.067 -0.233 1.00 0.00 C ATOM 672 CG GLU A 45 4.913 -0.735 -0.198 1.00 0.00 C ATOM 673 CD GLU A 45 4.417 -1.137 -1.573 1.00 0.00 C ATOM 674 OE1 GLU A 45 4.656 -0.382 -2.537 1.00 0.00 O ATOM 675 OE2 GLU A 45 3.788 -2.210 -1.687 1.00 0.00 O ATOM 0 H GLU A 45 8.644 0.601 0.329 1.00 0.00 H new ATOM 0 HA GLU A 45 7.300 -1.631 0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.340 0.662 0.575 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.383 0.483 -1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.963 -1.619 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.193 -0.055 0.258 1.00 0.00 H new ATOM 682 N GLY A 46 7.902 -1.546 -2.431 1.00 0.00 N ATOM 683 CA GLY A 46 7.963 -2.400 -3.605 1.00 0.00 C ATOM 684 C GLY A 46 8.703 -3.681 -3.287 1.00 0.00 C ATOM 685 O GLY A 46 8.100 -4.748 -3.166 1.00 0.00 O ATOM 0 H GLY A 46 8.253 -0.598 -2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.954 -2.631 -3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.464 -1.875 -4.419 1.00 0.00 H new ATOM 689 N GLN A 47 10.019 -3.563 -3.148 1.00 0.00 N ATOM 690 CA GLN A 47 10.882 -4.701 -2.832 1.00 0.00 C ATOM 691 C GLN A 47 10.312 -5.572 -1.699 1.00 0.00 C ATOM 692 O GLN A 47 10.762 -6.699 -1.496 1.00 0.00 O ATOM 693 CB GLN A 47 12.279 -4.198 -2.442 1.00 0.00 C ATOM 694 CG GLN A 47 13.383 -4.642 -3.388 1.00 0.00 C ATOM 695 CD GLN A 47 14.066 -5.916 -2.933 1.00 0.00 C ATOM 696 OE1 GLN A 47 15.252 -5.916 -2.604 1.00 0.00 O ATOM 697 NE2 GLN A 47 13.319 -7.014 -2.919 1.00 0.00 N ATOM 0 H GLN A 47 10.519 -2.680 -3.250 1.00 0.00 H new ATOM 0 HA GLN A 47 10.940 -5.323 -3.725 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.264 -3.109 -2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.513 -4.549 -1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.964 -4.795 -4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.124 -3.848 -3.473 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.340 -6.968 -3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.725 -7.903 -2.627 1.00 0.00 H new ATOM 706 N VAL A 48 9.335 -5.049 -0.955 1.00 0.00 N ATOM 707 CA VAL A 48 8.744 -5.800 0.146 1.00 0.00 C ATOM 708 C VAL A 48 7.808 -6.896 -0.373 1.00 0.00 C ATOM 709 O VAL A 48 8.261 -8.010 -0.636 1.00 0.00 O ATOM 710 CB VAL A 48 7.999 -4.878 1.131 1.00 0.00 C ATOM 711 CG1 VAL A 48 7.464 -5.672 2.315 1.00 0.00 C ATOM 712 CG2 VAL A 48 8.923 -3.766 1.601 1.00 0.00 C ATOM 0 H VAL A 48 8.942 -4.118 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 48 9.563 -6.273 0.687 1.00 0.00 H new ATOM 0 HB VAL A 48 7.148 -4.432 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.942 -5.001 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.773 -6.436 1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.293 -6.148 2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.389 -3.119 2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.789 -4.200 2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.254 -3.181 0.743 1.00 0.00 H new ATOM 722 N LYS A 49 6.513 -6.604 -0.530 1.00 0.00 N ATOM 723 CA LYS A 49 5.582 -7.619 -1.027 1.00 0.00 C ATOM 724 C LYS A 49 4.179 -7.057 -1.232 1.00 0.00 C ATOM 725 O LYS A 49 3.613 -6.439 -0.333 1.00 0.00 O ATOM 726 CB LYS A 49 5.515 -8.794 -0.044 1.00 0.00 C ATOM 727 CG LYS A 49 6.321 -10.013 -0.473 1.00 0.00 C ATOM 728 CD LYS A 49 5.435 -11.080 -1.098 1.00 0.00 C ATOM 729 CE LYS A 49 4.858 -12.018 -0.052 1.00 0.00 C ATOM 730 NZ LYS A 49 4.363 -13.283 -0.663 1.00 0.00 N ATOM 0 H LYS A 49 6.094 -5.697 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 49 5.956 -7.956 -1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.873 -8.460 0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.473 -9.088 0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.086 -9.710 -1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.839 -10.430 0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.623 -10.603 -1.646 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.013 -11.654 -1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.621 -12.247 0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.041 -11.522 0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.976 -13.899 0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.618 -13.066 -1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.149 -13.768 -1.141 1.00 0.00 H new ATOM 744 N VAL A 50 3.603 -7.303 -2.409 1.00 0.00 N ATOM 745 CA VAL A 50 2.251 -6.854 -2.697 1.00 0.00 C ATOM 746 C VAL A 50 1.357 -8.063 -2.933 1.00 0.00 C ATOM 747 O VAL A 50 1.818 -9.092 -3.421 1.00 0.00 O ATOM 748 CB VAL A 50 2.200 -5.930 -3.929 1.00 0.00 C ATOM 749 CG1 VAL A 50 0.817 -5.317 -4.082 1.00 0.00 C ATOM 750 CG2 VAL A 50 3.271 -4.851 -3.838 1.00 0.00 C ATOM 0 H VAL A 50 4.053 -7.809 -3.172 1.00 0.00 H new ATOM 0 HA VAL A 50 1.899 -6.282 -1.838 1.00 0.00 H new ATOM 0 HB VAL A 50 2.403 -6.529 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.802 -4.668 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.079 -6.110 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.577 -4.733 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.217 -4.210 -4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.109 -4.252 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.255 -5.318 -3.789 1.00 0.00 H new ATOM 760 N ASP A 51 0.085 -7.951 -2.571 1.00 0.00 N ATOM 761 CA ASP A 51 -0.858 -9.058 -2.735 1.00 0.00 C ATOM 762 C ASP A 51 -0.718 -9.716 -4.102 1.00 0.00 C ATOM 763 O ASP A 51 -1.240 -9.219 -5.100 1.00 0.00 O ATOM 764 CB ASP A 51 -2.285 -8.558 -2.556 1.00 0.00 C ATOM 765 CG ASP A 51 -3.226 -9.636 -2.056 1.00 0.00 C ATOM 766 OD1 ASP A 51 -2.735 -10.674 -1.565 1.00 0.00 O ATOM 767 OD2 ASP A 51 -4.456 -9.441 -2.155 1.00 0.00 O ATOM 0 H ASP A 51 -0.320 -7.108 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.629 -9.803 -1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.288 -7.725 -1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.653 -8.174 -3.507 1.00 0.00 H new ATOM 772 N GLY A 52 -0.005 -10.836 -4.139 1.00 0.00 N ATOM 773 CA GLY A 52 0.198 -11.544 -5.387 1.00 0.00 C ATOM 774 C GLY A 52 1.080 -10.771 -6.348 1.00 0.00 C ATOM 775 O GLY A 52 1.093 -11.047 -7.547 1.00 0.00 O ATOM 0 H GLY A 52 0.436 -11.266 -3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.650 -12.515 -5.183 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.767 -11.734 -5.856 1.00 0.00 H new ATOM 779 N ALA A 53 1.814 -9.795 -5.820 1.00 0.00 N ATOM 780 CA ALA A 53 2.693 -8.979 -6.641 1.00 0.00 C ATOM 781 C ALA A 53 3.957 -8.572 -5.880 1.00 0.00 C ATOM 782 O ALA A 53 4.115 -7.421 -5.474 1.00 0.00 O ATOM 783 CB ALA A 53 1.945 -7.753 -7.149 1.00 0.00 C ATOM 0 H ALA A 53 1.815 -9.553 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 53 3.010 -9.577 -7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.612 -7.148 -7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.090 -8.070 -7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.597 -7.162 -6.302 1.00 0.00 H new ATOM 789 N VAL A 54 4.854 -9.530 -5.682 1.00 0.00 N ATOM 790 CA VAL A 54 6.103 -9.270 -4.976 1.00 0.00 C ATOM 791 C VAL A 54 7.151 -8.706 -5.936 1.00 0.00 C ATOM 792 O VAL A 54 8.129 -9.375 -6.267 1.00 0.00 O ATOM 793 CB VAL A 54 6.638 -10.560 -4.316 1.00 0.00 C ATOM 794 CG1 VAL A 54 6.690 -11.695 -5.327 1.00 0.00 C ATOM 795 CG2 VAL A 54 8.007 -10.332 -3.686 1.00 0.00 C ATOM 0 H VAL A 54 4.741 -10.493 -6.000 1.00 0.00 H new ATOM 0 HA VAL A 54 5.903 -8.536 -4.196 1.00 0.00 H new ATOM 0 HB VAL A 54 5.950 -10.840 -3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.069 -12.595 -4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.688 -11.885 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.350 -11.419 -6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.356 -11.258 -3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.713 -10.017 -4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.932 -9.557 -2.923 1.00 0.00 H new ATOM 805 N GLU A 55 6.927 -7.474 -6.391 1.00 0.00 N ATOM 806 CA GLU A 55 7.839 -6.819 -7.328 1.00 0.00 C ATOM 807 C GLU A 55 8.763 -5.830 -6.623 1.00 0.00 C ATOM 808 O GLU A 55 8.711 -5.671 -5.404 1.00 0.00 O ATOM 809 CB GLU A 55 7.048 -6.083 -8.406 1.00 0.00 C ATOM 810 CG GLU A 55 5.903 -6.897 -8.985 1.00 0.00 C ATOM 811 CD GLU A 55 6.380 -8.147 -9.696 1.00 0.00 C ATOM 812 OE1 GLU A 55 7.278 -8.035 -10.558 1.00 0.00 O ATOM 813 OE2 GLU A 55 5.858 -9.240 -9.393 1.00 0.00 O ATOM 0 H GLU A 55 6.121 -6.909 -6.126 1.00 0.00 H new ATOM 0 HA GLU A 55 8.452 -7.599 -7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.650 -5.160 -7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.725 -5.800 -9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.219 -7.177 -8.184 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.339 -6.279 -9.683 1.00 0.00 H new ATOM 820 N THR A 56 9.610 -5.166 -7.413 1.00 0.00 N ATOM 821 CA THR A 56 10.553 -4.186 -6.880 1.00 0.00 C ATOM 822 C THR A 56 10.709 -2.998 -7.828 1.00 0.00 C ATOM 823 O THR A 56 11.809 -2.469 -7.994 1.00 0.00 O ATOM 824 CB THR A 56 11.926 -4.822 -6.645 1.00 0.00 C ATOM 825 OG1 THR A 56 12.678 -4.850 -7.848 1.00 0.00 O ATOM 826 CG2 THR A 56 11.877 -6.242 -6.110 1.00 0.00 C ATOM 0 H THR A 56 9.660 -5.291 -8.424 1.00 0.00 H new ATOM 0 HA THR A 56 10.150 -3.834 -5.931 1.00 0.00 H new ATOM 0 HB THR A 56 12.392 -4.192 -5.887 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.819 -3.934 -8.167 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.892 -6.614 -5.973 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.355 -6.253 -5.153 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.349 -6.880 -6.819 1.00 0.00 H new ATOM 834 N ARG A 57 9.614 -2.583 -8.455 1.00 0.00 N ATOM 835 CA ARG A 57 9.655 -1.462 -9.387 1.00 0.00 C ATOM 836 C ARG A 57 9.204 -0.168 -8.716 1.00 0.00 C ATOM 837 O ARG A 57 8.736 -0.179 -7.577 1.00 0.00 O ATOM 838 CB ARG A 57 8.775 -1.751 -10.606 1.00 0.00 C ATOM 839 CG ARG A 57 9.513 -2.450 -11.737 1.00 0.00 C ATOM 840 CD ARG A 57 9.208 -1.816 -13.082 1.00 0.00 C ATOM 841 NE ARG A 57 10.406 -1.689 -13.909 1.00 0.00 N ATOM 842 CZ ARG A 57 10.453 -1.990 -15.206 1.00 0.00 C ATOM 843 NH1 ARG A 57 9.365 -2.406 -15.845 1.00 0.00 N ATOM 844 NH2 ARG A 57 11.593 -1.865 -15.871 1.00 0.00 N ATOM 0 H ARG A 57 8.692 -3.003 -8.336 1.00 0.00 H new ATOM 0 HA ARG A 57 10.688 -1.336 -9.712 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.932 -2.369 -10.297 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.363 -0.813 -10.977 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.586 -2.410 -11.551 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.232 -3.503 -11.759 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.466 -2.418 -13.607 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.767 -0.831 -12.927 1.00 0.00 H new ATOM 0 HE ARG A 57 11.259 -1.349 -13.466 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.482 -2.498 -15.342 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.413 -2.634 -16.838 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.431 -1.539 -15.390 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.632 -2.095 -16.864 1.00 0.00 H new ATOM 858 N LYS A 58 9.346 0.945 -9.433 1.00 0.00 N ATOM 859 CA LYS A 58 8.948 2.248 -8.911 1.00 0.00 C ATOM 860 C LYS A 58 7.429 2.391 -8.936 1.00 0.00 C ATOM 861 O LYS A 58 6.827 2.892 -7.989 1.00 0.00 O ATOM 862 CB LYS A 58 9.597 3.368 -9.729 1.00 0.00 C ATOM 863 CG LYS A 58 10.887 3.898 -9.123 1.00 0.00 C ATOM 864 CD LYS A 58 10.714 5.305 -8.575 1.00 0.00 C ATOM 865 CE LYS A 58 10.695 6.340 -9.689 1.00 0.00 C ATOM 866 NZ LYS A 58 11.836 6.166 -10.631 1.00 0.00 N ATOM 0 H LYS A 58 9.734 0.969 -10.376 1.00 0.00 H new ATOM 0 HA LYS A 58 9.288 2.325 -7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.802 3.000 -10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.888 4.190 -9.829 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.213 3.233 -8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.672 3.896 -9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.785 5.363 -8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.526 5.529 -7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.757 6.264 -10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.731 7.340 -9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.156 7.098 -10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.619 5.686 -10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.531 5.593 -11.444 1.00 0.00 H new ATOM 880 N ARG A 59 6.815 1.935 -10.023 1.00 0.00 N ATOM 881 CA ARG A 59 5.363 2.000 -10.168 1.00 0.00 C ATOM 882 C ARG A 59 4.788 0.617 -10.431 1.00 0.00 C ATOM 883 O ARG A 59 5.420 -0.213 -11.085 1.00 0.00 O ATOM 884 CB ARG A 59 4.966 2.962 -11.293 1.00 0.00 C ATOM 885 CG ARG A 59 5.772 2.790 -12.574 1.00 0.00 C ATOM 886 CD ARG A 59 6.381 4.107 -13.034 1.00 0.00 C ATOM 887 NE ARG A 59 5.916 4.494 -14.365 1.00 0.00 N ATOM 888 CZ ARG A 59 6.503 4.116 -15.497 1.00 0.00 C ATOM 889 NH1 ARG A 59 7.570 3.325 -15.473 1.00 0.00 N ATOM 890 NH2 ARG A 59 6.020 4.530 -16.659 1.00 0.00 N ATOM 0 H ARG A 59 7.299 1.516 -10.817 1.00 0.00 H new ATOM 0 HA ARG A 59 4.950 2.378 -9.233 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.909 2.822 -11.520 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.082 3.986 -10.938 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.564 2.060 -12.411 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.129 2.392 -13.359 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.129 4.891 -12.320 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.468 4.020 -13.041 1.00 0.00 H new ATOM 0 HE ARG A 59 5.091 5.090 -14.429 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.946 3.002 -14.581 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.014 3.040 -16.346 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.200 5.137 -16.684 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.468 4.242 -17.529 1.00 0.00 H new ATOM 904 N CYS A 60 3.591 0.363 -9.912 1.00 0.00 N ATOM 905 CA CYS A 60 2.956 -0.934 -10.095 1.00 0.00 C ATOM 906 C CYS A 60 1.517 -0.787 -10.572 1.00 0.00 C ATOM 907 O CYS A 60 0.667 -0.255 -9.861 1.00 0.00 O ATOM 908 CB CYS A 60 2.993 -1.728 -8.790 1.00 0.00 C ATOM 909 SG CYS A 60 3.456 -3.463 -8.999 1.00 0.00 S ATOM 0 H CYS A 60 3.047 1.032 -9.367 1.00 0.00 H new ATOM 0 HA CYS A 60 3.513 -1.472 -10.862 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.699 -1.254 -8.108 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.012 -1.679 -8.318 1.00 0.00 H new ATOM 0 HG CYS A 60 3.669 -3.999 -7.834 1.00 0.00 H new ATOM 915 N LYS A 61 1.251 -1.275 -11.778 1.00 0.00 N ATOM 916 CA LYS A 61 -0.087 -1.210 -12.348 1.00 0.00 C ATOM 917 C LYS A 61 -1.012 -2.196 -11.640 1.00 0.00 C ATOM 918 O LYS A 61 -1.174 -3.336 -12.077 1.00 0.00 O ATOM 919 CB LYS A 61 -0.032 -1.501 -13.848 1.00 0.00 C ATOM 920 CG LYS A 61 0.294 -0.277 -14.690 1.00 0.00 C ATOM 921 CD LYS A 61 1.773 0.070 -14.611 1.00 0.00 C ATOM 922 CE LYS A 61 2.329 0.468 -15.969 1.00 0.00 C ATOM 923 NZ LYS A 61 2.365 -0.681 -16.916 1.00 0.00 N ATOM 0 H LYS A 61 1.945 -1.720 -12.379 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.485 -0.205 -12.205 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.717 -2.271 -14.034 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.992 -1.907 -14.167 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.017 -0.462 -15.728 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.299 0.571 -14.348 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.918 0.887 -13.904 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.328 -0.786 -14.227 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.718 1.266 -16.391 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.336 0.868 -15.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.062 -0.492 -17.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.633 -1.545 -16.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.425 -0.809 -17.342 1.00 0.00 H new ATOM 937 N ILE A 62 -1.603 -1.746 -10.537 1.00 0.00 N ATOM 938 CA ILE A 62 -2.503 -2.579 -9.745 1.00 0.00 C ATOM 939 C ILE A 62 -3.777 -1.827 -9.386 1.00 0.00 C ATOM 940 O ILE A 62 -3.734 -0.642 -9.054 1.00 0.00 O ATOM 941 CB ILE A 62 -1.825 -3.040 -8.445 1.00 0.00 C ATOM 942 CG1 ILE A 62 -0.439 -3.612 -8.742 1.00 0.00 C ATOM 943 CG2 ILE A 62 -2.692 -4.064 -7.726 1.00 0.00 C ATOM 944 CD1 ILE A 62 0.444 -3.701 -7.520 1.00 0.00 C ATOM 0 H ILE A 62 -1.474 -0.803 -10.170 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.753 -3.446 -10.356 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.705 -2.178 -7.789 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.549 -4.606 -9.176 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.051 -2.990 -9.491 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.197 -4.380 -6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.656 -3.618 -7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.845 -4.929 -8.372 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.413 -4.115 -7.800 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.583 -2.706 -7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.026 -4.347 -6.778 1.00 0.00 H new ATOM 956 N VAL A 63 -4.906 -2.529 -9.445 1.00 0.00 N ATOM 957 CA VAL A 63 -6.206 -1.943 -9.127 1.00 0.00 C ATOM 958 C VAL A 63 -7.149 -2.994 -8.531 1.00 0.00 C ATOM 959 O VAL A 63 -6.813 -4.176 -8.474 1.00 0.00 O ATOM 960 CB VAL A 63 -6.880 -1.353 -10.381 1.00 0.00 C ATOM 961 CG1 VAL A 63 -6.038 -0.244 -10.984 1.00 0.00 C ATOM 962 CG2 VAL A 63 -7.143 -2.445 -11.406 1.00 0.00 C ATOM 0 H VAL A 63 -4.946 -3.513 -9.712 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.022 -1.149 -8.403 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.835 -0.922 -10.081 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.538 0.153 -11.867 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.907 0.553 -10.252 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.063 -0.640 -11.267 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.619 -2.012 -12.285 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.199 -2.907 -11.695 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.799 -3.200 -10.973 1.00 0.00 H new ATOM 972 N ALA A 64 -8.342 -2.560 -8.120 1.00 0.00 N ATOM 973 CA ALA A 64 -9.350 -3.468 -7.566 1.00 0.00 C ATOM 974 C ALA A 64 -9.044 -3.871 -6.124 1.00 0.00 C ATOM 975 O ALA A 64 -8.483 -3.089 -5.357 1.00 0.00 O ATOM 976 CB ALA A 64 -9.490 -4.697 -8.454 1.00 0.00 C ATOM 0 H ALA A 64 -8.635 -1.584 -8.160 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.298 -2.931 -7.545 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.241 -5.366 -8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.796 -4.390 -9.454 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.533 -5.216 -8.510 1.00 0.00 H new ATOM 982 N GLY A 65 -9.432 -5.096 -5.758 1.00 0.00 N ATOM 983 CA GLY A 65 -9.209 -5.578 -4.414 1.00 0.00 C ATOM 984 C GLY A 65 -7.824 -6.157 -4.236 1.00 0.00 C ATOM 985 O GLY A 65 -7.649 -7.374 -4.196 1.00 0.00 O ATOM 0 H GLY A 65 -9.898 -5.760 -6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.352 -4.760 -3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.952 -6.339 -4.175 1.00 0.00 H new ATOM 989 N GLN A 66 -6.833 -5.280 -4.143 1.00 0.00 N ATOM 990 CA GLN A 66 -5.451 -5.713 -3.986 1.00 0.00 C ATOM 991 C GLN A 66 -4.830 -5.135 -2.717 1.00 0.00 C ATOM 992 O GLN A 66 -5.242 -4.081 -2.230 1.00 0.00 O ATOM 993 CB GLN A 66 -4.633 -5.300 -5.212 1.00 0.00 C ATOM 994 CG GLN A 66 -4.868 -6.181 -6.429 1.00 0.00 C ATOM 995 CD GLN A 66 -3.987 -7.416 -6.434 1.00 0.00 C ATOM 996 OE1 GLN A 66 -3.631 -7.940 -5.381 1.00 0.00 O ATOM 997 NE2 GLN A 66 -3.633 -7.888 -7.623 1.00 0.00 N ATOM 0 H GLN A 66 -6.960 -4.268 -4.173 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.442 -6.799 -3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.875 -4.269 -5.469 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.574 -5.324 -4.956 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.914 -6.485 -6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.681 -5.602 -7.334 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.951 -7.421 -8.472 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.043 -8.717 -7.687 1.00 0.00 H new ATOM 1006 N THR A 67 -3.852 -5.853 -2.180 1.00 0.00 N ATOM 1007 CA THR A 67 -3.174 -5.451 -0.952 1.00 0.00 C ATOM 1008 C THR A 67 -1.699 -5.148 -1.193 1.00 0.00 C ATOM 1009 O THR A 67 -1.076 -5.697 -2.101 1.00 0.00 O ATOM 1010 CB THR A 67 -3.307 -6.558 0.098 1.00 0.00 C ATOM 1011 OG1 THR A 67 -4.655 -6.961 0.223 1.00 0.00 O ATOM 1012 CG2 THR A 67 -2.816 -6.163 1.475 1.00 0.00 C ATOM 0 H THR A 67 -3.507 -6.726 -2.580 1.00 0.00 H new ATOM 0 HA THR A 67 -3.649 -4.538 -0.593 1.00 0.00 H new ATOM 0 HB THR A 67 -2.676 -7.369 -0.265 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.694 -7.850 0.633 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.944 -7.000 2.161 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.761 -5.895 1.422 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.389 -5.309 1.834 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.151 -4.278 -0.352 1.00 0.00 N ATOM 1021 CA VAL A 68 0.251 -3.892 -0.434 1.00 0.00 C ATOM 1022 C VAL A 68 0.903 -4.070 0.937 1.00 0.00 C ATOM 1023 O VAL A 68 0.256 -3.858 1.964 1.00 0.00 O ATOM 1024 CB VAL A 68 0.399 -2.429 -0.953 1.00 0.00 C ATOM 1025 CG1 VAL A 68 1.142 -1.515 0.023 1.00 0.00 C ATOM 1026 CG2 VAL A 68 1.083 -2.418 -2.313 1.00 0.00 C ATOM 0 H VAL A 68 -1.664 -3.823 0.403 1.00 0.00 H new ATOM 0 HA VAL A 68 0.761 -4.535 -1.151 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.610 -2.028 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.211 -0.512 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.601 -1.475 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.145 -1.906 0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.180 -1.390 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.073 -2.866 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.487 -2.989 -3.025 1.00 0.00 H new ATOM 1036 N SER A 69 2.168 -4.476 0.959 1.00 0.00 N ATOM 1037 CA SER A 69 2.858 -4.694 2.226 1.00 0.00 C ATOM 1038 C SER A 69 4.277 -4.133 2.215 1.00 0.00 C ATOM 1039 O SER A 69 5.028 -4.313 1.249 1.00 0.00 O ATOM 1040 CB SER A 69 2.898 -6.186 2.560 1.00 0.00 C ATOM 1041 OG SER A 69 1.630 -6.648 2.990 1.00 0.00 O ATOM 0 H SER A 69 2.730 -4.659 0.128 1.00 0.00 H new ATOM 0 HA SER A 69 2.295 -4.160 2.992 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.215 -6.750 1.683 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.638 -6.367 3.340 1.00 0.00 H new ATOM 0 HG SER A 69 1.683 -7.605 3.196 1.00 0.00 H new ATOM 1047 N PHE A 70 4.634 -3.467 3.316 1.00 0.00 N ATOM 1048 CA PHE A 70 5.961 -2.880 3.486 1.00 0.00 C ATOM 1049 C PHE A 70 6.400 -2.983 4.943 1.00 0.00 C ATOM 1050 O PHE A 70 5.725 -2.473 5.835 1.00 0.00 O ATOM 1051 CB PHE A 70 5.962 -1.412 3.053 1.00 0.00 C ATOM 1052 CG PHE A 70 7.224 -0.670 3.402 1.00 0.00 C ATOM 1053 CD1 PHE A 70 8.426 -1.339 3.552 1.00 0.00 C ATOM 1054 CD2 PHE A 70 7.204 0.699 3.570 1.00 0.00 C ATOM 1055 CE1 PHE A 70 9.584 -0.658 3.862 1.00 0.00 C ATOM 1056 CE2 PHE A 70 8.358 1.390 3.885 1.00 0.00 C ATOM 1057 CZ PHE A 70 9.551 0.710 4.031 1.00 0.00 C ATOM 0 H PHE A 70 4.012 -3.321 4.111 1.00 0.00 H new ATOM 0 HA PHE A 70 6.660 -3.433 2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.810 -1.362 1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.116 -0.907 3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.457 -2.411 3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.275 1.237 3.454 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.515 -1.195 3.972 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.327 2.461 4.017 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.455 1.248 4.277 1.00 0.00 H new ATOM 1067 N ALA A 71 7.535 -3.638 5.174 1.00 0.00 N ATOM 1068 CA ALA A 71 8.063 -3.804 6.523 1.00 0.00 C ATOM 1069 C ALA A 71 6.995 -4.358 7.464 1.00 0.00 C ATOM 1070 O ALA A 71 6.946 -5.560 7.723 1.00 0.00 O ATOM 1071 CB ALA A 71 8.606 -2.479 7.042 1.00 0.00 C ATOM 0 H ALA A 71 8.106 -4.062 4.443 1.00 0.00 H new ATOM 0 HA ALA A 71 8.880 -4.524 6.486 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.997 -2.616 8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.405 -2.131 6.387 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.805 -1.740 7.061 1.00 0.00 H new ATOM 1077 N GLY A 72 6.137 -3.474 7.969 1.00 0.00 N ATOM 1078 CA GLY A 72 5.079 -3.894 8.866 1.00 0.00 C ATOM 1079 C GLY A 72 3.718 -3.338 8.492 1.00 0.00 C ATOM 1080 O GLY A 72 2.718 -3.662 9.132 1.00 0.00 O ATOM 0 H GLY A 72 6.158 -2.474 7.771 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.029 -4.983 8.873 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.326 -3.580 9.880 1.00 0.00 H new ATOM 1084 N HIS A 73 3.671 -2.488 7.470 1.00 0.00 N ATOM 1085 CA HIS A 73 2.412 -1.889 7.053 1.00 0.00 C ATOM 1086 C HIS A 73 1.720 -2.722 5.973 1.00 0.00 C ATOM 1087 O HIS A 73 2.206 -2.820 4.846 1.00 0.00 O ATOM 1088 CB HIS A 73 2.643 -0.466 6.536 1.00 0.00 C ATOM 1089 CG HIS A 73 3.602 0.334 7.361 1.00 0.00 C ATOM 1090 ND1 HIS A 73 3.969 -0.012 8.643 1.00 0.00 N ATOM 1091 CD2 HIS A 73 4.271 1.478 7.078 1.00 0.00 C ATOM 1092 CE1 HIS A 73 4.819 0.882 9.116 1.00 0.00 C ATOM 1093 NE2 HIS A 73 5.020 1.796 8.185 1.00 0.00 N ATOM 0 H HIS A 73 4.482 -2.202 6.922 1.00 0.00 H new ATOM 0 HA HIS A 73 1.761 -1.858 7.927 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.016 -0.518 5.513 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.687 0.056 6.501 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.224 2.036 6.154 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.272 0.868 10.096 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.632 2.607 8.273 1.00 0.00 H new ATOM 1101 N SER A 74 0.579 -3.311 6.323 1.00 0.00 N ATOM 1102 CA SER A 74 -0.187 -4.127 5.382 1.00 0.00 C ATOM 1103 C SER A 74 -1.594 -3.557 5.186 1.00 0.00 C ATOM 1104 O SER A 74 -2.429 -3.621 6.089 1.00 0.00 O ATOM 1105 CB SER A 74 -0.270 -5.572 5.879 1.00 0.00 C ATOM 1106 OG SER A 74 -0.044 -6.490 4.822 1.00 0.00 O ATOM 0 H SER A 74 0.164 -3.239 7.252 1.00 0.00 H new ATOM 0 HA SER A 74 0.327 -4.111 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.466 -5.732 6.667 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.251 -5.753 6.318 1.00 0.00 H new ATOM 0 HG SER A 74 0.670 -6.152 4.242 1.00 0.00 H new ATOM 1112 N VAL A 75 -1.854 -2.995 4.005 1.00 0.00 N ATOM 1113 CA VAL A 75 -3.163 -2.414 3.705 1.00 0.00 C ATOM 1114 C VAL A 75 -3.686 -2.884 2.347 1.00 0.00 C ATOM 1115 O VAL A 75 -2.905 -3.169 1.440 1.00 0.00 O ATOM 1116 CB VAL A 75 -3.108 -0.873 3.714 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -4.494 -0.283 3.558 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -2.439 -0.361 4.983 1.00 0.00 C ATOM 0 H VAL A 75 -1.179 -2.930 3.243 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.842 -2.754 4.487 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.507 -0.552 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.429 0.805 3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.926 -0.613 2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.126 -0.616 4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.412 0.729 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.004 -0.696 5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.422 -0.748 5.040 1.00 0.00 H new ATOM 1128 N GLN A 76 -5.013 -2.951 2.214 1.00 0.00 N ATOM 1129 CA GLN A 76 -5.640 -3.387 0.965 1.00 0.00 C ATOM 1130 C GLN A 76 -6.385 -2.241 0.288 1.00 0.00 C ATOM 1131 O GLN A 76 -6.511 -1.151 0.844 1.00 0.00 O ATOM 1132 CB GLN A 76 -6.608 -4.548 1.222 1.00 0.00 C ATOM 1133 CG GLN A 76 -6.110 -5.554 2.249 1.00 0.00 C ATOM 1134 CD GLN A 76 -7.041 -5.679 3.438 1.00 0.00 C ATOM 1135 OE1 GLN A 76 -7.825 -4.775 3.725 1.00 0.00 O ATOM 1136 NE2 GLN A 76 -6.961 -6.805 4.138 1.00 0.00 N ATOM 0 H GLN A 76 -5.672 -2.709 2.954 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.844 -3.723 0.301 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.563 -4.144 1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.795 -5.067 0.282 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.000 -6.529 1.774 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.121 -5.255 2.596 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.297 -7.529 3.865 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.564 -6.946 4.949 1.00 0.00 H new ATOM 1145 N VAL A 77 -6.858 -2.492 -0.932 1.00 0.00 N ATOM 1146 CA VAL A 77 -7.571 -1.479 -1.704 1.00 0.00 C ATOM 1147 C VAL A 77 -8.719 -2.097 -2.501 1.00 0.00 C ATOM 1148 O VAL A 77 -8.644 -3.256 -2.895 1.00 0.00 O ATOM 1149 CB VAL A 77 -6.615 -0.776 -2.686 1.00 0.00 C ATOM 1150 CG1 VAL A 77 -7.263 0.458 -3.287 1.00 0.00 C ATOM 1151 CG2 VAL A 77 -5.305 -0.418 -2.003 1.00 0.00 C ATOM 0 H VAL A 77 -6.759 -3.390 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.974 -0.756 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.397 -1.471 -3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.567 0.935 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.166 0.169 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.522 1.157 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.646 0.077 -2.716 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.502 0.252 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.826 -1.326 -1.636 1.00 0.00 H new ATOM 1161 N VAL A 78 -9.776 -1.316 -2.742 1.00 0.00 N ATOM 1162 CA VAL A 78 -10.931 -1.800 -3.500 1.00 0.00 C ATOM 1163 C VAL A 78 -11.283 -0.865 -4.658 1.00 0.00 C ATOM 1164 O VAL A 78 -10.923 0.313 -4.648 1.00 0.00 O ATOM 1165 CB VAL A 78 -12.172 -1.948 -2.599 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -11.938 -3.004 -1.533 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -12.538 -0.613 -1.964 1.00 0.00 C ATOM 0 H VAL A 78 -9.855 -0.350 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.647 -2.774 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.008 -2.270 -3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.826 -3.093 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.732 -3.963 -2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.087 -2.716 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.417 -0.740 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.704 -0.257 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.755 0.114 -2.746 1.00 0.00 H new ATOM 1177 N ALA A 79 -12.000 -1.396 -5.651 1.00 0.00 N ATOM 1178 CA ALA A 79 -12.413 -0.605 -6.808 1.00 0.00 C ATOM 1179 C ALA A 79 -13.893 -0.250 -6.728 1.00 0.00 C ATOM 1180 O ALA A 79 -14.215 0.956 -6.758 1.00 0.00 O ATOM 1181 CB ALA A 79 -12.123 -1.343 -8.107 1.00 0.00 C ATOM 1182 OXT ALA A 79 -14.720 -1.183 -6.636 1.00 0.00 O ATOM 0 H ALA A 79 -12.305 -2.369 -5.675 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.834 0.318 -6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.440 -0.731 -8.952 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.054 -1.540 -8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.667 -2.287 -8.118 1.00 0.00 H new