USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 705 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 64 THR OG1 : rot 180:sc= -0.025 USER MOD Set 1.2: A 66 SER OG : rot 170:sc= -0.0323 USER MOD Set 2.1: A 16 THR OG1 : rot -174:sc= 0.454 USER MOD Set 2.2: A 18 THR OG1 : rot -49:sc= 0.227 USER MOD Single : A 11 GLN : amide:sc= -1.98! K(o=-2!,f=-0.12) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 148:sc= 0.431 (180deg=-1.47) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -103:sc= 1.42 USER MOD Single : A 28 SER OG : rot 33:sc= 0.181 USER MOD Single : A 29 SER OG : rot 180:sc= -0.368 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.435 X(o=-0.44,f=-0.004) USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= 0.421 (180deg=-0.0486) USER MOD Single : A 37 SER OG : rot -71:sc= 0.374 USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= -0.058 (180deg=-0.495) USER MOD Single : A 40 GLN : amide:sc= -0.904 K(o=-0.9,f=-1.8) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -6.29! C(o=-6.3!,f=-7.2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -1.73! C(o=-1.7!,f=-3.5!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0253 X(o=-0.025,f=-0.031) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 140:sc= -0.0408 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HE2:sc= -0.315 K(o=-0.31,f=-1.7) USER MOD Single : A 99 LYS NZ :NH3+ -129:sc= -0.198 (180deg=-1.52!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N GLN A 11 104.292 -0.980 -0.587 1.00 0.00 N ATOM 165 CA GLN A 11 103.264 -0.022 -0.985 1.00 0.00 C ATOM 166 C GLN A 11 102.102 -0.743 -1.657 1.00 0.00 C ATOM 167 O GLN A 11 102.255 -1.316 -2.737 1.00 0.00 O ATOM 168 CB GLN A 11 103.855 1.015 -1.949 1.00 0.00 C ATOM 169 CG GLN A 11 105.231 1.463 -1.446 1.00 0.00 C ATOM 170 CD GLN A 11 105.803 2.533 -2.370 1.00 0.00 C ATOM 171 OE1 GLN A 11 106.399 2.214 -3.399 1.00 0.00 O ATOM 172 NE2 GLN A 11 105.657 3.793 -2.064 1.00 0.00 N ATOM 0 HA GLN A 11 102.898 0.486 -0.092 1.00 0.00 H new ATOM 0 HB2 GLN A 11 103.944 0.588 -2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 11 103.189 1.874 -2.028 1.00 0.00 H new ATOM 0 HG2 GLN A 11 105.147 1.854 -0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 11 105.907 0.609 -1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 11 105.163 4.057 -1.211 1.00 0.00 H new ATOM 0 HE22 GLN A 11 106.037 4.514 -2.677 1.00 0.00 H new ATOM 181 N ILE A 12 100.942 -0.720 -1.006 1.00 0.00 N ATOM 182 CA ILE A 12 99.759 -1.384 -1.543 1.00 0.00 C ATOM 183 C ILE A 12 99.170 -0.597 -2.708 1.00 0.00 C ATOM 184 O ILE A 12 99.642 0.492 -3.040 1.00 0.00 O ATOM 185 CB ILE A 12 98.699 -1.547 -0.446 1.00 0.00 C ATOM 186 CG1 ILE A 12 98.255 -0.163 0.052 1.00 0.00 C ATOM 187 CG2 ILE A 12 99.287 -2.348 0.719 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.972 -0.300 0.879 1.00 0.00 C ATOM 0 H ILE A 12 100.797 -0.252 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 12 100.062 -2.367 -1.905 1.00 0.00 H new ATOM 0 HB ILE A 12 97.837 -2.077 -0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 12 99.043 0.287 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 12 98.084 0.502 -0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.534 -2.463 1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 12 99.597 -3.331 0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 12 100.150 -1.820 1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.659 0.683 1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 12 96.185 -0.731 0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 12 97.158 -0.949 1.734 1.00 0.00 H new ATOM 200 N PHE A 13 98.130 -1.159 -3.315 1.00 0.00 N ATOM 201 CA PHE A 13 97.459 -0.515 -4.438 1.00 0.00 C ATOM 202 C PHE A 13 95.976 -0.355 -4.132 1.00 0.00 C ATOM 203 O PHE A 13 95.335 -1.283 -3.643 1.00 0.00 O ATOM 204 CB PHE A 13 97.639 -1.351 -5.709 1.00 0.00 C ATOM 205 CG PHE A 13 98.785 -0.795 -6.522 1.00 0.00 C ATOM 206 CD1 PHE A 13 100.104 -1.140 -6.200 1.00 0.00 C ATOM 207 CD2 PHE A 13 98.529 0.063 -7.597 1.00 0.00 C ATOM 208 CE1 PHE A 13 101.166 -0.627 -6.954 1.00 0.00 C ATOM 209 CE2 PHE A 13 99.590 0.576 -8.352 1.00 0.00 C ATOM 210 CZ PHE A 13 100.909 0.232 -8.030 1.00 0.00 C ATOM 0 H PHE A 13 97.733 -2.060 -3.048 1.00 0.00 H new ATOM 0 HA PHE A 13 97.901 0.469 -4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 13 97.836 -2.391 -5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.722 -1.338 -6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 13 100.302 -1.802 -5.370 1.00 0.00 H new ATOM 0 HD2 PHE A 13 97.512 0.330 -7.844 1.00 0.00 H new ATOM 0 HE1 PHE A 13 102.183 -0.893 -6.706 1.00 0.00 H new ATOM 0 HE2 PHE A 13 99.392 1.237 -9.183 1.00 0.00 H new ATOM 0 HZ PHE A 13 101.728 0.629 -8.611 1.00 0.00 H new ATOM 220 N ALA A 14 95.441 0.827 -4.421 1.00 0.00 N ATOM 221 CA ALA A 14 94.030 1.104 -4.172 1.00 0.00 C ATOM 222 C ALA A 14 93.330 1.494 -5.468 1.00 0.00 C ATOM 223 O ALA A 14 93.853 2.291 -6.248 1.00 0.00 O ATOM 224 CB ALA A 14 93.896 2.238 -3.154 1.00 0.00 C ATOM 0 H ALA A 14 95.960 1.606 -4.826 1.00 0.00 H new ATOM 0 HA ALA A 14 93.562 0.203 -3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.841 2.441 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 14 94.376 1.947 -2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 14 94.376 3.136 -3.544 1.00 0.00 H new ATOM 230 N LYS A 15 92.145 0.933 -5.690 1.00 0.00 N ATOM 231 CA LYS A 15 91.382 1.236 -6.895 1.00 0.00 C ATOM 232 C LYS A 15 89.933 1.559 -6.556 1.00 0.00 C ATOM 233 O LYS A 15 89.229 0.754 -5.946 1.00 0.00 O ATOM 234 CB LYS A 15 91.429 0.060 -7.871 1.00 0.00 C ATOM 235 CG LYS A 15 91.024 0.549 -9.267 1.00 0.00 C ATOM 236 CD LYS A 15 92.121 0.196 -10.280 1.00 0.00 C ATOM 237 CE LYS A 15 91.973 -1.263 -10.716 1.00 0.00 C ATOM 238 NZ LYS A 15 93.001 -1.579 -11.748 1.00 0.00 N ATOM 0 H LYS A 15 91.696 0.272 -5.057 1.00 0.00 H new ATOM 0 HA LYS A 15 91.836 2.109 -7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 15 92.432 -0.366 -7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 15 90.756 -0.731 -7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 15 90.081 0.090 -9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.863 1.627 -9.252 1.00 0.00 H new ATOM 0 HD2 LYS A 15 92.053 0.853 -11.147 1.00 0.00 H new ATOM 0 HD3 LYS A 15 93.104 0.355 -9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 15 92.089 -1.924 -9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 15 90.974 -1.434 -11.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 92.901 -2.571 -12.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 92.870 -0.956 -12.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 93.950 -1.431 -11.349 1.00 0.00 H new ATOM 252 N THR A 16 89.500 2.750 -6.956 1.00 0.00 N ATOM 253 CA THR A 16 88.135 3.188 -6.696 1.00 0.00 C ATOM 254 C THR A 16 87.166 2.553 -7.686 1.00 0.00 C ATOM 255 O THR A 16 87.578 1.862 -8.620 1.00 0.00 O ATOM 256 CB THR A 16 88.044 4.711 -6.809 1.00 0.00 C ATOM 257 OG1 THR A 16 88.340 5.105 -8.142 1.00 0.00 O ATOM 258 CG2 THR A 16 89.042 5.361 -5.847 1.00 0.00 C ATOM 0 H THR A 16 90.073 3.427 -7.460 1.00 0.00 H new ATOM 0 HA THR A 16 87.865 2.877 -5.687 1.00 0.00 H new ATOM 0 HB THR A 16 87.035 5.033 -6.550 1.00 0.00 H new ATOM 0 HG1 THR A 16 88.375 6.083 -8.194 1.00 0.00 H new ATOM 0 HG21 THR A 16 88.974 6.446 -5.930 1.00 0.00 H new ATOM 0 HG22 THR A 16 88.811 5.061 -4.825 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.053 5.040 -6.100 1.00 0.00 H new ATOM 266 N LEU A 17 85.876 2.809 -7.482 1.00 0.00 N ATOM 267 CA LEU A 17 84.848 2.277 -8.367 1.00 0.00 C ATOM 268 C LEU A 17 85.122 2.727 -9.798 1.00 0.00 C ATOM 269 O LEU A 17 85.110 1.924 -10.731 1.00 0.00 O ATOM 270 CB LEU A 17 83.470 2.789 -7.922 1.00 0.00 C ATOM 271 CG LEU A 17 82.366 1.803 -8.331 1.00 0.00 C ATOM 272 CD1 LEU A 17 82.378 1.593 -9.848 1.00 0.00 C ATOM 273 CD2 LEU A 17 82.583 0.460 -7.627 1.00 0.00 C ATOM 0 H LEU A 17 85.521 3.379 -6.715 1.00 0.00 H new ATOM 0 HA LEU A 17 84.861 1.188 -8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.459 2.926 -6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.277 3.764 -8.369 1.00 0.00 H new ATOM 0 HG LEU A 17 81.401 2.216 -8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 17 81.591 0.892 -10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 17 82.207 2.546 -10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 17 83.345 1.191 -10.152 1.00 0.00 H new ATOM 0 HD21 LEU A 17 81.797 -0.236 -7.921 1.00 0.00 H new ATOM 0 HD22 LEU A 17 83.553 0.053 -7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 17 82.553 0.606 -6.547 1.00 0.00 H new ATOM 285 N THR A 18 85.376 4.023 -9.950 1.00 0.00 N ATOM 286 CA THR A 18 85.659 4.599 -11.258 1.00 0.00 C ATOM 287 C THR A 18 86.927 3.988 -11.855 1.00 0.00 C ATOM 288 O THR A 18 87.157 4.075 -13.061 1.00 0.00 O ATOM 289 CB THR A 18 85.817 6.119 -11.133 1.00 0.00 C ATOM 290 OG1 THR A 18 87.115 6.421 -10.636 1.00 0.00 O ATOM 291 CG2 THR A 18 84.760 6.671 -10.170 1.00 0.00 C ATOM 0 H THR A 18 85.391 4.694 -9.182 1.00 0.00 H new ATOM 0 HA THR A 18 84.825 4.377 -11.923 1.00 0.00 H new ATOM 0 HB THR A 18 85.686 6.577 -12.113 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.298 5.873 -9.844 1.00 0.00 H new ATOM 0 HG21 THR A 18 84.875 7.751 -10.084 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.765 6.442 -10.551 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.887 6.213 -9.189 1.00 0.00 H new ATOM 299 N GLY A 19 87.738 3.363 -11.004 1.00 0.00 N ATOM 300 CA GLY A 19 88.973 2.727 -11.454 1.00 0.00 C ATOM 301 C GLY A 19 90.179 3.650 -11.288 1.00 0.00 C ATOM 302 O GLY A 19 91.027 3.737 -12.175 1.00 0.00 O ATOM 0 H GLY A 19 87.563 3.284 -10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 19 89.137 1.810 -10.888 1.00 0.00 H new ATOM 0 HA3 GLY A 19 88.875 2.442 -12.502 1.00 0.00 H new ATOM 306 N LYS A 20 90.257 4.325 -10.142 1.00 0.00 N ATOM 307 CA LYS A 20 91.377 5.225 -9.870 1.00 0.00 C ATOM 308 C LYS A 20 92.496 4.460 -9.171 1.00 0.00 C ATOM 309 O LYS A 20 92.351 4.053 -8.020 1.00 0.00 O ATOM 310 CB LYS A 20 90.913 6.392 -8.987 1.00 0.00 C ATOM 311 CG LYS A 20 92.076 7.366 -8.752 1.00 0.00 C ATOM 312 CD LYS A 20 92.367 8.150 -10.037 1.00 0.00 C ATOM 313 CE LYS A 20 93.877 8.373 -10.171 1.00 0.00 C ATOM 314 NZ LYS A 20 94.554 7.068 -10.419 1.00 0.00 N ATOM 0 H LYS A 20 89.566 4.267 -9.394 1.00 0.00 H new ATOM 0 HA LYS A 20 91.750 5.623 -10.814 1.00 0.00 H new ATOM 0 HB2 LYS A 20 90.083 6.912 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 20 90.546 6.014 -8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 20 91.828 8.054 -7.944 1.00 0.00 H new ATOM 0 HG3 LYS A 20 92.965 6.817 -8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 20 91.992 7.603 -10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 20 91.848 9.108 -10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 20 94.082 9.062 -10.990 1.00 0.00 H new ATOM 0 HE3 LYS A 20 94.269 8.831 -9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 95.391 7.219 -11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 94.847 6.651 -9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 93.897 6.422 -10.901 1.00 0.00 H new ATOM 328 N THR A 21 93.613 4.268 -9.871 1.00 0.00 N ATOM 329 CA THR A 21 94.748 3.546 -9.303 1.00 0.00 C ATOM 330 C THR A 21 95.580 4.466 -8.413 1.00 0.00 C ATOM 331 O THR A 21 96.120 5.470 -8.878 1.00 0.00 O ATOM 332 CB THR A 21 95.622 2.982 -10.427 1.00 0.00 C ATOM 333 OG1 THR A 21 94.793 2.405 -11.427 1.00 0.00 O ATOM 334 CG2 THR A 21 96.559 1.912 -9.865 1.00 0.00 C ATOM 0 H THR A 21 93.755 4.600 -10.825 1.00 0.00 H new ATOM 0 HA THR A 21 94.367 2.725 -8.695 1.00 0.00 H new ATOM 0 HB THR A 21 96.213 3.788 -10.862 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.352 2.045 -12.147 1.00 0.00 H new ATOM 0 HG21 THR A 21 97.179 1.513 -10.668 1.00 0.00 H new ATOM 0 HG22 THR A 21 97.197 2.353 -9.099 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.970 1.106 -9.427 1.00 0.00 H new ATOM 342 N ILE A 22 95.671 4.118 -7.131 1.00 0.00 N ATOM 343 CA ILE A 22 96.432 4.918 -6.176 1.00 0.00 C ATOM 344 C ILE A 22 97.364 4.026 -5.358 1.00 0.00 C ATOM 345 O ILE A 22 96.933 3.027 -4.783 1.00 0.00 O ATOM 346 CB ILE A 22 95.473 5.660 -5.236 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.399 6.383 -6.063 1.00 0.00 C ATOM 348 CG2 ILE A 22 96.254 6.684 -4.409 1.00 0.00 C ATOM 349 CD1 ILE A 22 93.221 6.765 -5.162 1.00 0.00 C ATOM 0 H ILE A 22 95.229 3.290 -6.731 1.00 0.00 H new ATOM 0 HA ILE A 22 97.031 5.642 -6.728 1.00 0.00 H new ATOM 0 HB ILE A 22 94.996 4.943 -4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.821 7.276 -6.523 1.00 0.00 H new ATOM 0 HG13 ILE A 22 94.056 5.739 -6.873 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.571 7.210 -3.742 1.00 0.00 H new ATOM 0 HG22 ILE A 22 97.014 6.172 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.734 7.401 -5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.462 7.277 -5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.792 5.864 -4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.569 7.425 -4.368 1.00 0.00 H new ATOM 361 N THR A 23 98.643 4.394 -5.317 1.00 0.00 N ATOM 362 CA THR A 23 99.638 3.623 -4.574 1.00 0.00 C ATOM 363 C THR A 23 100.024 4.344 -3.284 1.00 0.00 C ATOM 364 O THR A 23 100.379 5.524 -3.306 1.00 0.00 O ATOM 365 CB THR A 23 100.884 3.415 -5.443 1.00 0.00 C ATOM 366 OG1 THR A 23 100.486 3.013 -6.746 1.00 0.00 O ATOM 367 CG2 THR A 23 101.776 2.336 -4.825 1.00 0.00 C ATOM 0 H THR A 23 99.014 5.219 -5.788 1.00 0.00 H new ATOM 0 HA THR A 23 99.207 2.656 -4.316 1.00 0.00 H new ATOM 0 HB THR A 23 101.443 4.349 -5.501 1.00 0.00 H new ATOM 0 HG1 THR A 23 100.632 2.049 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.659 2.194 -5.448 1.00 0.00 H new ATOM 0 HG22 THR A 23 102.082 2.646 -3.826 1.00 0.00 H new ATOM 0 HG23 THR A 23 101.222 1.399 -4.761 1.00 0.00 H new ATOM 375 N LEU A 24 99.950 3.627 -2.162 1.00 0.00 N ATOM 376 CA LEU A 24 100.291 4.206 -0.862 1.00 0.00 C ATOM 377 C LEU A 24 101.219 3.277 -0.080 1.00 0.00 C ATOM 378 O LEU A 24 101.017 2.061 -0.053 1.00 0.00 O ATOM 379 CB LEU A 24 99.018 4.474 -0.045 1.00 0.00 C ATOM 380 CG LEU A 24 97.903 3.500 -0.452 1.00 0.00 C ATOM 381 CD1 LEU A 24 97.029 3.184 0.765 1.00 0.00 C ATOM 382 CD2 LEU A 24 97.036 4.137 -1.545 1.00 0.00 C ATOM 0 H LEU A 24 99.659 2.650 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 24 100.808 5.149 -1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 24 99.232 4.367 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.687 5.501 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 24 98.350 2.581 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 24 96.238 2.493 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 24 97.641 2.729 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 24 96.585 4.105 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 24 96.245 3.444 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.592 5.058 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 24 97.654 4.363 -2.414 1.00 0.00 H new ATOM 394 N GLU A 25 102.237 3.862 0.555 1.00 0.00 N ATOM 395 CA GLU A 25 103.197 3.085 1.338 1.00 0.00 C ATOM 396 C GLU A 25 102.650 2.797 2.735 1.00 0.00 C ATOM 397 O GLU A 25 102.626 3.678 3.597 1.00 0.00 O ATOM 398 CB GLU A 25 104.524 3.844 1.452 1.00 0.00 C ATOM 399 CG GLU A 25 105.598 2.913 2.030 1.00 0.00 C ATOM 400 CD GLU A 25 106.971 3.252 1.449 1.00 0.00 C ATOM 401 OE1 GLU A 25 107.085 3.307 0.237 1.00 0.00 O ATOM 402 OE2 GLU A 25 107.889 3.448 2.228 1.00 0.00 O ATOM 0 H GLU A 25 102.416 4.866 0.542 1.00 0.00 H new ATOM 0 HA GLU A 25 103.365 2.138 0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 25 104.832 4.208 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 25 104.402 4.717 2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 25 105.623 3.007 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 25 105.348 1.876 1.806 1.00 0.00 H new ATOM 409 N VAL A 26 102.204 1.562 2.944 1.00 0.00 N ATOM 410 CA VAL A 26 101.648 1.163 4.237 1.00 0.00 C ATOM 411 C VAL A 26 102.270 -0.138 4.734 1.00 0.00 C ATOM 412 O VAL A 26 103.021 -0.800 4.016 1.00 0.00 O ATOM 413 CB VAL A 26 100.129 0.988 4.124 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.497 2.288 3.621 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.817 -0.148 3.143 1.00 0.00 C ATOM 0 H VAL A 26 102.215 0.823 2.241 1.00 0.00 H new ATOM 0 HA VAL A 26 101.878 1.951 4.954 1.00 0.00 H new ATOM 0 HB VAL A 26 99.719 0.744 5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 26 98.417 2.161 3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.717 3.094 4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.906 2.536 2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.737 -0.273 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 26 100.228 0.094 2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 26 100.263 -1.074 3.505 1.00 0.00 H new ATOM 425 N GLU A 27 101.936 -0.498 5.970 1.00 0.00 N ATOM 426 CA GLU A 27 102.445 -1.725 6.576 1.00 0.00 C ATOM 427 C GLU A 27 101.539 -2.898 6.215 1.00 0.00 C ATOM 428 O GLU A 27 100.354 -2.711 5.957 1.00 0.00 O ATOM 429 CB GLU A 27 102.496 -1.578 8.099 1.00 0.00 C ATOM 430 CG GLU A 27 103.322 -0.345 8.476 1.00 0.00 C ATOM 431 CD GLU A 27 103.024 0.060 9.918 1.00 0.00 C ATOM 432 OE1 GLU A 27 102.016 0.713 10.133 1.00 0.00 O ATOM 433 OE2 GLU A 27 103.807 -0.291 10.786 1.00 0.00 O ATOM 0 H GLU A 27 101.315 0.043 6.572 1.00 0.00 H new ATOM 0 HA GLU A 27 103.450 -1.910 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.486 -1.486 8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 27 102.935 -2.471 8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 27 104.385 -0.560 8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 27 103.089 0.479 7.802 1.00 0.00 H new ATOM 440 N SER A 28 102.094 -4.105 6.204 1.00 0.00 N ATOM 441 CA SER A 28 101.306 -5.291 5.877 1.00 0.00 C ATOM 442 C SER A 28 100.220 -5.518 6.925 1.00 0.00 C ATOM 443 O SER A 28 99.277 -6.277 6.698 1.00 0.00 O ATOM 444 CB SER A 28 102.216 -6.520 5.805 1.00 0.00 C ATOM 445 OG SER A 28 101.496 -7.604 5.233 1.00 0.00 O ATOM 0 H SER A 28 103.075 -4.289 6.415 1.00 0.00 H new ATOM 0 HA SER A 28 100.832 -5.134 4.908 1.00 0.00 H new ATOM 0 HB2 SER A 28 103.099 -6.298 5.206 1.00 0.00 H new ATOM 0 HB3 SER A 28 102.566 -6.787 6.802 1.00 0.00 H new ATOM 0 HG SER A 28 100.860 -7.261 4.571 1.00 0.00 H new ATOM 451 N SER A 29 100.378 -4.876 8.078 1.00 0.00 N ATOM 452 CA SER A 29 99.431 -5.016 9.180 1.00 0.00 C ATOM 453 C SER A 29 98.788 -3.675 9.525 1.00 0.00 C ATOM 454 O SER A 29 98.015 -3.582 10.480 1.00 0.00 O ATOM 455 CB SER A 29 100.155 -5.566 10.411 1.00 0.00 C ATOM 456 OG SER A 29 101.024 -6.620 10.017 1.00 0.00 O ATOM 0 H SER A 29 101.158 -4.249 8.275 1.00 0.00 H new ATOM 0 HA SER A 29 98.645 -5.706 8.871 1.00 0.00 H new ATOM 0 HB2 SER A 29 100.724 -4.773 10.896 1.00 0.00 H new ATOM 0 HB3 SER A 29 99.431 -5.930 11.140 1.00 0.00 H new ATOM 0 HG SER A 29 101.489 -6.972 10.804 1.00 0.00 H new ATOM 462 N ASP A 30 99.111 -2.639 8.747 1.00 0.00 N ATOM 463 CA ASP A 30 98.556 -1.305 8.984 1.00 0.00 C ATOM 464 C ASP A 30 97.043 -1.379 9.181 1.00 0.00 C ATOM 465 O ASP A 30 96.411 -2.371 8.821 1.00 0.00 O ATOM 466 CB ASP A 30 98.871 -0.385 7.796 1.00 0.00 C ATOM 467 CG ASP A 30 99.510 0.915 8.284 1.00 0.00 C ATOM 468 OD1 ASP A 30 98.990 1.492 9.226 1.00 0.00 O ATOM 469 OD2 ASP A 30 100.506 1.316 7.707 1.00 0.00 O ATOM 0 H ASP A 30 99.749 -2.697 7.953 1.00 0.00 H new ATOM 0 HA ASP A 30 99.011 -0.901 9.888 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.544 -0.891 7.104 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.956 -0.164 7.246 1.00 0.00 H new ATOM 474 N THR A 31 96.467 -0.321 9.744 1.00 0.00 N ATOM 475 CA THR A 31 95.025 -0.287 9.972 1.00 0.00 C ATOM 476 C THR A 31 94.325 0.457 8.843 1.00 0.00 C ATOM 477 O THR A 31 94.945 1.247 8.130 1.00 0.00 O ATOM 478 CB THR A 31 94.709 0.393 11.310 1.00 0.00 C ATOM 479 OG1 THR A 31 94.776 1.804 11.155 1.00 0.00 O ATOM 480 CG2 THR A 31 95.719 -0.054 12.371 1.00 0.00 C ATOM 0 H THR A 31 96.968 0.514 10.047 1.00 0.00 H new ATOM 0 HA THR A 31 94.661 -1.314 10.001 1.00 0.00 H new ATOM 0 HB THR A 31 93.705 0.110 11.627 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.572 2.237 12.010 1.00 0.00 H new ATOM 0 HG21 THR A 31 95.490 0.432 13.319 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.662 -1.135 12.495 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.725 0.223 12.055 1.00 0.00 H new ATOM 488 N ILE A 32 93.030 0.199 8.688 1.00 0.00 N ATOM 489 CA ILE A 32 92.250 0.847 7.642 1.00 0.00 C ATOM 490 C ILE A 32 92.353 2.367 7.764 1.00 0.00 C ATOM 491 O ILE A 32 92.576 3.057 6.771 1.00 0.00 O ATOM 492 CB ILE A 32 90.784 0.407 7.735 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.667 -1.075 7.347 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.922 1.259 6.796 1.00 0.00 C ATOM 495 CD1 ILE A 32 90.775 -1.240 5.826 1.00 0.00 C ATOM 0 H ILE A 32 92.502 -0.451 9.271 1.00 0.00 H new ATOM 0 HA ILE A 32 92.649 0.550 6.672 1.00 0.00 H new ATOM 0 HB ILE A 32 90.433 0.542 8.758 1.00 0.00 H new ATOM 0 HG12 ILE A 32 91.453 -1.649 7.838 1.00 0.00 H new ATOM 0 HG13 ILE A 32 89.715 -1.475 7.696 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.882 0.941 6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 32 90.001 2.308 7.081 1.00 0.00 H new ATOM 0 HG23 ILE A 32 90.270 1.135 5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 32 90.690 -2.296 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 32 89.973 -0.682 5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 32 91.738 -0.860 5.486 1.00 0.00 H new ATOM 507 N ASP A 33 92.188 2.883 8.981 1.00 0.00 N ATOM 508 CA ASP A 33 92.269 4.324 9.207 1.00 0.00 C ATOM 509 C ASP A 33 93.513 4.905 8.539 1.00 0.00 C ATOM 510 O ASP A 33 93.449 5.952 7.893 1.00 0.00 O ATOM 511 CB ASP A 33 92.305 4.619 10.709 1.00 0.00 C ATOM 512 CG ASP A 33 91.716 6.001 10.982 1.00 0.00 C ATOM 513 OD1 ASP A 33 90.502 6.112 11.007 1.00 0.00 O ATOM 514 OD2 ASP A 33 92.489 6.928 11.159 1.00 0.00 O ATOM 0 H ASP A 33 91.999 2.331 9.818 1.00 0.00 H new ATOM 0 HA ASP A 33 91.386 4.790 8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 33 91.741 3.860 11.251 1.00 0.00 H new ATOM 0 HB3 ASP A 33 93.331 4.573 11.073 1.00 0.00 H new ATOM 519 N ASN A 34 94.641 4.211 8.686 1.00 0.00 N ATOM 520 CA ASN A 34 95.891 4.659 8.079 1.00 0.00 C ATOM 521 C ASN A 34 95.750 4.671 6.560 1.00 0.00 C ATOM 522 O ASN A 34 96.252 5.565 5.883 1.00 0.00 O ATOM 523 CB ASN A 34 97.035 3.724 8.483 1.00 0.00 C ATOM 524 CG ASN A 34 98.372 4.451 8.372 1.00 0.00 C ATOM 525 OD1 ASN A 34 99.096 4.574 9.360 1.00 0.00 O ATOM 526 ND2 ASN A 34 98.748 4.940 7.221 1.00 0.00 N ATOM 0 H ASN A 34 94.714 3.343 9.216 1.00 0.00 H new ATOM 0 HA ASN A 34 96.115 5.667 8.429 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.886 3.375 9.505 1.00 0.00 H new ATOM 0 HB3 ASN A 34 97.038 2.842 7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 34 99.642 5.424 7.140 1.00 0.00 H new ATOM 0 HD22 ASN A 34 98.148 4.838 6.403 1.00 0.00 H new ATOM 533 N VAL A 35 95.040 3.671 6.047 1.00 0.00 N ATOM 534 CA VAL A 35 94.807 3.567 4.612 1.00 0.00 C ATOM 535 C VAL A 35 93.984 4.764 4.140 1.00 0.00 C ATOM 536 O VAL A 35 94.288 5.376 3.114 1.00 0.00 O ATOM 537 CB VAL A 35 94.072 2.261 4.278 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.874 2.154 2.763 1.00 0.00 C ATOM 539 CG2 VAL A 35 94.901 1.068 4.765 1.00 0.00 C ATOM 0 H VAL A 35 94.618 2.925 6.601 1.00 0.00 H new ATOM 0 HA VAL A 35 95.768 3.562 4.099 1.00 0.00 H new ATOM 0 HB VAL A 35 93.101 2.259 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 35 93.352 1.226 2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 35 93.284 3.001 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.845 2.159 2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 35 94.379 0.141 4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 35 95.872 1.074 4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 35 95.042 1.139 5.843 1.00 0.00 H new ATOM 549 N LYS A 36 92.948 5.099 4.911 1.00 0.00 N ATOM 550 CA LYS A 36 92.090 6.231 4.580 1.00 0.00 C ATOM 551 C LYS A 36 92.891 7.529 4.612 1.00 0.00 C ATOM 552 O LYS A 36 93.053 8.187 3.588 1.00 0.00 O ATOM 553 CB LYS A 36 90.926 6.310 5.574 1.00 0.00 C ATOM 554 CG LYS A 36 90.119 5.008 5.527 1.00 0.00 C ATOM 555 CD LYS A 36 89.103 4.986 6.674 1.00 0.00 C ATOM 556 CE LYS A 36 87.871 5.806 6.287 1.00 0.00 C ATOM 557 NZ LYS A 36 86.666 4.927 6.286 1.00 0.00 N ATOM 0 H LYS A 36 92.686 4.604 5.764 1.00 0.00 H new ATOM 0 HA LYS A 36 91.693 6.089 3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.306 6.478 6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.284 7.156 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 36 89.603 4.923 4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.788 4.151 5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 36 88.813 3.959 6.896 1.00 0.00 H new ATOM 0 HD3 LYS A 36 89.553 5.393 7.579 1.00 0.00 H new ATOM 0 HE2 LYS A 36 87.733 6.628 6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 36 88.011 6.249 5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 85.981 5.277 5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 86.945 3.955 6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 86.230 4.935 7.230 1.00 0.00 H new ATOM 571 N SER A 37 93.389 7.893 5.793 1.00 0.00 N ATOM 572 CA SER A 37 94.176 9.118 5.939 1.00 0.00 C ATOM 573 C SER A 37 95.203 9.233 4.814 1.00 0.00 C ATOM 574 O SER A 37 95.265 10.245 4.116 1.00 0.00 O ATOM 575 CB SER A 37 94.892 9.122 7.292 1.00 0.00 C ATOM 576 OG SER A 37 95.601 7.900 7.455 1.00 0.00 O ATOM 0 H SER A 37 93.264 7.363 6.656 1.00 0.00 H new ATOM 0 HA SER A 37 93.499 9.971 5.885 1.00 0.00 H new ATOM 0 HB2 SER A 37 95.581 9.965 7.349 1.00 0.00 H new ATOM 0 HB3 SER A 37 94.169 9.246 8.098 1.00 0.00 H new ATOM 0 HG SER A 37 94.964 7.168 7.595 1.00 0.00 H new ATOM 582 N LYS A 38 96.003 8.183 4.646 1.00 0.00 N ATOM 583 CA LYS A 38 97.023 8.171 3.600 1.00 0.00 C ATOM 584 C LYS A 38 96.415 8.587 2.260 1.00 0.00 C ATOM 585 O LYS A 38 97.060 9.260 1.456 1.00 0.00 O ATOM 586 CB LYS A 38 97.642 6.775 3.477 1.00 0.00 C ATOM 587 CG LYS A 38 98.976 6.869 2.727 1.00 0.00 C ATOM 588 CD LYS A 38 100.124 6.470 3.661 1.00 0.00 C ATOM 589 CE LYS A 38 101.465 6.802 3.000 1.00 0.00 C ATOM 590 NZ LYS A 38 101.635 8.282 2.937 1.00 0.00 N ATOM 0 H LYS A 38 95.966 7.337 5.214 1.00 0.00 H new ATOM 0 HA LYS A 38 97.803 8.882 3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 38 97.799 6.347 4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 38 96.961 6.109 2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 38 98.960 6.216 1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 38 99.128 7.885 2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 38 100.034 6.999 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 38 100.071 5.404 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 38 102.282 6.355 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 38 101.503 6.378 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 102.645 8.512 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 101.122 8.656 2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 101.257 8.712 3.805 1.00 0.00 H new ATOM 604 N ILE A 39 95.162 8.188 2.034 1.00 0.00 N ATOM 605 CA ILE A 39 94.466 8.529 0.796 1.00 0.00 C ATOM 606 C ILE A 39 94.264 10.045 0.694 1.00 0.00 C ATOM 607 O ILE A 39 94.478 10.629 -0.367 1.00 0.00 O ATOM 608 CB ILE A 39 93.112 7.788 0.738 1.00 0.00 C ATOM 609 CG1 ILE A 39 92.961 7.091 -0.624 1.00 0.00 C ATOM 610 CG2 ILE A 39 91.939 8.758 0.950 1.00 0.00 C ATOM 611 CD1 ILE A 39 92.709 8.125 -1.725 1.00 0.00 C ATOM 0 H ILE A 39 94.613 7.632 2.689 1.00 0.00 H new ATOM 0 HA ILE A 39 95.073 8.214 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 39 93.095 7.048 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 39 93.862 6.521 -0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.135 6.380 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 39 90.999 8.208 0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.033 9.235 1.926 1.00 0.00 H new ATOM 0 HG23 ILE A 39 91.952 9.520 0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 39 92.604 7.617 -2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 39 91.795 8.676 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 39 93.548 8.819 -1.772 1.00 0.00 H new ATOM 623 N GLN A 40 93.841 10.674 1.793 1.00 0.00 N ATOM 624 CA GLN A 40 93.607 12.117 1.795 1.00 0.00 C ATOM 625 C GLN A 40 94.892 12.887 1.504 1.00 0.00 C ATOM 626 O GLN A 40 94.852 13.993 0.976 1.00 0.00 O ATOM 627 CB GLN A 40 93.008 12.555 3.141 1.00 0.00 C ATOM 628 CG GLN A 40 94.109 12.995 4.117 1.00 0.00 C ATOM 629 CD GLN A 40 94.329 14.503 4.018 1.00 0.00 C ATOM 630 OE1 GLN A 40 95.420 14.950 3.663 1.00 0.00 O ATOM 631 NE2 GLN A 40 93.352 15.317 4.313 1.00 0.00 N ATOM 0 H GLN A 40 93.656 10.212 2.683 1.00 0.00 H new ATOM 0 HA GLN A 40 92.896 12.346 1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.309 13.376 2.982 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.440 11.732 3.575 1.00 0.00 H new ATOM 0 HG2 GLN A 40 93.830 12.727 5.136 1.00 0.00 H new ATOM 0 HG3 GLN A 40 95.037 12.469 3.891 1.00 0.00 H new ATOM 0 HE21 GLN A 40 92.449 14.945 4.607 1.00 0.00 H new ATOM 0 HE22 GLN A 40 93.492 16.325 4.250 1.00 0.00 H new ATOM 640 N ASP A 41 96.032 12.300 1.839 1.00 0.00 N ATOM 641 CA ASP A 41 97.307 12.959 1.582 1.00 0.00 C ATOM 642 C ASP A 41 97.610 12.916 0.087 1.00 0.00 C ATOM 643 O ASP A 41 98.262 13.808 -0.458 1.00 0.00 O ATOM 644 CB ASP A 41 98.427 12.259 2.361 1.00 0.00 C ATOM 645 CG ASP A 41 99.782 12.851 1.983 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.166 13.839 2.589 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.416 12.310 1.091 1.00 0.00 O ATOM 0 H ASP A 41 96.103 11.384 2.282 1.00 0.00 H new ATOM 0 HA ASP A 41 97.247 13.997 1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.259 12.371 3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.416 11.190 2.146 1.00 0.00 H new ATOM 652 N LYS A 42 97.140 11.851 -0.555 1.00 0.00 N ATOM 653 CA LYS A 42 97.367 11.655 -1.983 1.00 0.00 C ATOM 654 C LYS A 42 96.235 12.238 -2.835 1.00 0.00 C ATOM 655 O LYS A 42 96.483 12.737 -3.933 1.00 0.00 O ATOM 656 CB LYS A 42 97.510 10.157 -2.278 1.00 0.00 C ATOM 657 CG LYS A 42 98.755 9.606 -1.570 1.00 0.00 C ATOM 658 CD LYS A 42 100.020 10.062 -2.307 1.00 0.00 C ATOM 659 CE LYS A 42 100.688 8.859 -2.980 1.00 0.00 C ATOM 660 NZ LYS A 42 101.965 9.291 -3.614 1.00 0.00 N ATOM 0 H LYS A 42 96.599 11.110 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 42 98.283 12.183 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 42 96.622 9.624 -1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 42 97.589 9.994 -3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 42 98.780 9.954 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 42 98.714 8.517 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 42 99.766 10.814 -3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 42 100.712 10.530 -1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 42 100.881 8.078 -2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 42 100.023 8.433 -3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 102.419 8.475 -4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 101.769 10.022 -4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 102.600 9.678 -2.887 1.00 0.00 H new ATOM 674 N GLU A 43 94.992 12.153 -2.350 1.00 0.00 N ATOM 675 CA GLU A 43 93.846 12.658 -3.116 1.00 0.00 C ATOM 676 C GLU A 43 93.128 13.805 -2.399 1.00 0.00 C ATOM 677 O GLU A 43 92.117 14.308 -2.891 1.00 0.00 O ATOM 678 CB GLU A 43 92.855 11.516 -3.366 1.00 0.00 C ATOM 679 CG GLU A 43 93.261 10.741 -4.625 1.00 0.00 C ATOM 680 CD GLU A 43 94.635 10.101 -4.439 1.00 0.00 C ATOM 681 OE1 GLU A 43 94.808 9.386 -3.467 1.00 0.00 O ATOM 682 OE2 GLU A 43 95.494 10.334 -5.274 1.00 0.00 O ATOM 0 H GLU A 43 94.755 11.746 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 43 94.228 13.046 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 43 92.834 10.846 -2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 43 91.848 11.916 -3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 43 92.520 9.971 -4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 43 93.279 11.413 -5.483 1.00 0.00 H new ATOM 689 N GLY A 44 93.659 14.232 -1.257 1.00 0.00 N ATOM 690 CA GLY A 44 93.060 15.338 -0.505 1.00 0.00 C ATOM 691 C GLY A 44 91.781 14.909 0.211 1.00 0.00 C ATOM 692 O GLY A 44 91.576 15.234 1.380 1.00 0.00 O ATOM 0 H GLY A 44 94.497 13.835 -0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.778 15.712 0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.838 16.161 -1.184 1.00 0.00 H new ATOM 696 N ILE A 45 90.922 14.193 -0.512 1.00 0.00 N ATOM 697 CA ILE A 45 89.648 13.726 0.034 1.00 0.00 C ATOM 698 C ILE A 45 89.805 13.226 1.473 1.00 0.00 C ATOM 699 O ILE A 45 90.521 12.255 1.721 1.00 0.00 O ATOM 700 CB ILE A 45 89.096 12.596 -0.839 1.00 0.00 C ATOM 701 CG1 ILE A 45 89.018 13.066 -2.303 1.00 0.00 C ATOM 702 CG2 ILE A 45 87.702 12.196 -0.340 1.00 0.00 C ATOM 703 CD1 ILE A 45 87.718 13.841 -2.545 1.00 0.00 C ATOM 0 H ILE A 45 91.086 13.922 -1.482 1.00 0.00 H new ATOM 0 HA ILE A 45 88.956 14.568 0.038 1.00 0.00 H new ATOM 0 HB ILE A 45 89.757 11.732 -0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 45 89.875 13.699 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 45 89.066 12.206 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.310 11.391 -0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 45 87.769 11.856 0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.035 13.056 -0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 45 87.677 14.167 -3.584 1.00 0.00 H new ATOM 0 HD12 ILE A 45 86.865 13.196 -2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 45 87.686 14.712 -1.890 1.00 0.00 H new ATOM 715 N PRO A 46 89.151 13.869 2.414 1.00 0.00 N ATOM 716 CA PRO A 46 89.223 13.480 3.852 1.00 0.00 C ATOM 717 C PRO A 46 88.991 11.981 4.059 1.00 0.00 C ATOM 718 O PRO A 46 88.185 11.367 3.358 1.00 0.00 O ATOM 719 CB PRO A 46 88.119 14.296 4.541 1.00 0.00 C ATOM 720 CG PRO A 46 87.446 15.120 3.485 1.00 0.00 C ATOM 721 CD PRO A 46 88.279 15.032 2.207 1.00 0.00 C ATOM 0 HA PRO A 46 90.213 13.682 4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.401 13.636 5.028 1.00 0.00 H new ATOM 0 HB3 PRO A 46 88.541 14.936 5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.435 14.755 3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.358 16.157 3.811 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.646 14.902 1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.860 15.940 2.049 1.00 0.00 H new ATOM 729 N PRO A 47 89.685 11.394 5.003 1.00 0.00 N ATOM 730 CA PRO A 47 89.560 9.940 5.308 1.00 0.00 C ATOM 731 C PRO A 47 88.112 9.534 5.581 1.00 0.00 C ATOM 732 O PRO A 47 87.659 8.478 5.144 1.00 0.00 O ATOM 733 CB PRO A 47 90.410 9.721 6.567 1.00 0.00 C ATOM 734 CG PRO A 47 90.985 11.046 6.962 1.00 0.00 C ATOM 735 CD PRO A 47 90.663 12.062 5.868 1.00 0.00 C ATOM 0 HA PRO A 47 89.890 9.336 4.462 1.00 0.00 H new ATOM 0 HB2 PRO A 47 89.801 9.312 7.373 1.00 0.00 H new ATOM 0 HB3 PRO A 47 91.205 9.002 6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 47 90.567 11.371 7.915 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.063 10.965 7.098 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.254 12.980 6.290 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.558 12.339 5.311 1.00 0.00 H new ATOM 743 N ASP A 48 87.399 10.385 6.313 1.00 0.00 N ATOM 744 CA ASP A 48 86.004 10.117 6.660 1.00 0.00 C ATOM 745 C ASP A 48 85.123 10.081 5.414 1.00 0.00 C ATOM 746 O ASP A 48 84.175 9.299 5.338 1.00 0.00 O ATOM 747 CB ASP A 48 85.488 11.196 7.617 1.00 0.00 C ATOM 748 CG ASP A 48 86.551 11.525 8.663 1.00 0.00 C ATOM 749 OD1 ASP A 48 87.428 12.318 8.358 1.00 0.00 O ATOM 750 OD2 ASP A 48 86.474 10.980 9.751 1.00 0.00 O ATOM 0 H ASP A 48 87.762 11.266 6.678 1.00 0.00 H new ATOM 0 HA ASP A 48 85.959 9.141 7.144 1.00 0.00 H new ATOM 0 HB2 ASP A 48 85.228 12.094 7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 48 84.578 10.852 8.108 1.00 0.00 H new ATOM 755 N GLN A 49 85.438 10.937 4.446 1.00 0.00 N ATOM 756 CA GLN A 49 84.661 11.001 3.211 1.00 0.00 C ATOM 757 C GLN A 49 84.840 9.733 2.377 1.00 0.00 C ATOM 758 O GLN A 49 84.041 9.456 1.483 1.00 0.00 O ATOM 759 CB GLN A 49 85.089 12.219 2.387 1.00 0.00 C ATOM 760 CG GLN A 49 83.933 12.663 1.482 1.00 0.00 C ATOM 761 CD GLN A 49 83.176 13.819 2.128 1.00 0.00 C ATOM 762 OE1 GLN A 49 82.047 13.644 2.588 1.00 0.00 O ATOM 763 NE2 GLN A 49 83.733 14.998 2.193 1.00 0.00 N ATOM 0 H GLN A 49 86.219 11.591 4.491 1.00 0.00 H new ATOM 0 HA GLN A 49 83.609 11.090 3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 49 85.379 13.035 3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 49 85.962 11.973 1.783 1.00 0.00 H new ATOM 0 HG2 GLN A 49 84.319 12.969 0.510 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.256 11.827 1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 49 84.668 15.142 1.812 1.00 0.00 H new ATOM 0 HE22 GLN A 49 83.233 15.775 2.625 1.00 0.00 H new ATOM 772 N GLN A 50 85.894 8.971 2.665 1.00 0.00 N ATOM 773 CA GLN A 50 86.159 7.744 1.918 1.00 0.00 C ATOM 774 C GLN A 50 85.903 6.505 2.773 1.00 0.00 C ATOM 775 O GLN A 50 86.029 6.540 3.997 1.00 0.00 O ATOM 776 CB GLN A 50 87.613 7.729 1.433 1.00 0.00 C ATOM 777 CG GLN A 50 87.912 9.010 0.645 1.00 0.00 C ATOM 778 CD GLN A 50 88.729 8.691 -0.606 1.00 0.00 C ATOM 779 OE1 GLN A 50 88.702 9.450 -1.574 1.00 0.00 O ATOM 780 NE2 GLN A 50 89.464 7.613 -0.642 1.00 0.00 N ATOM 0 H GLN A 50 86.570 9.178 3.400 1.00 0.00 H new ATOM 0 HA GLN A 50 85.481 7.723 1.065 1.00 0.00 H new ATOM 0 HB2 GLN A 50 88.289 7.649 2.284 1.00 0.00 H new ATOM 0 HB3 GLN A 50 87.787 6.856 0.804 1.00 0.00 H new ATOM 0 HG2 GLN A 50 86.978 9.496 0.362 1.00 0.00 H new ATOM 0 HG3 GLN A 50 88.459 9.712 1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 50 89.486 6.984 0.161 1.00 0.00 H new ATOM 0 HE22 GLN A 50 90.016 7.400 -1.473 1.00 0.00 H new ATOM 789 N ARG A 51 85.556 5.410 2.102 1.00 0.00 N ATOM 790 CA ARG A 51 85.293 4.138 2.770 1.00 0.00 C ATOM 791 C ARG A 51 85.895 3.006 1.945 1.00 0.00 C ATOM 792 O ARG A 51 86.150 3.177 0.755 1.00 0.00 O ATOM 793 CB ARG A 51 83.784 3.919 2.937 1.00 0.00 C ATOM 794 CG ARG A 51 83.051 4.306 1.647 1.00 0.00 C ATOM 795 CD ARG A 51 82.438 5.702 1.797 1.00 0.00 C ATOM 796 NE ARG A 51 81.349 5.675 2.769 1.00 0.00 N ATOM 797 CZ ARG A 51 80.082 5.532 2.386 1.00 0.00 C ATOM 798 NH1 ARG A 51 79.802 4.947 1.254 1.00 0.00 N ATOM 799 NH2 ARG A 51 79.118 5.975 3.145 1.00 0.00 N ATOM 0 H ARG A 51 85.450 5.378 1.088 1.00 0.00 H new ATOM 0 HA ARG A 51 85.748 4.154 3.760 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.584 2.875 3.179 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.412 4.516 3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.744 4.292 0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 51 82.270 3.577 1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 51 83.203 6.410 2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 51 82.066 6.049 0.833 1.00 0.00 H new ATOM 0 HE ARG A 51 81.563 5.768 3.762 1.00 0.00 H new ATOM 0 HH11 ARG A 51 80.555 4.598 0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 51 78.831 4.839 0.963 1.00 0.00 H new ATOM 0 HH21 ARG A 51 79.335 6.431 4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 51 78.147 5.866 2.852 1.00 0.00 H new ATOM 813 N LEU A 52 86.133 1.856 2.573 1.00 0.00 N ATOM 814 CA LEU A 52 86.722 0.722 1.862 1.00 0.00 C ATOM 815 C LEU A 52 85.784 -0.481 1.864 1.00 0.00 C ATOM 816 O LEU A 52 85.406 -0.984 2.922 1.00 0.00 O ATOM 817 CB LEU A 52 88.053 0.332 2.512 1.00 0.00 C ATOM 818 CG LEU A 52 89.176 1.228 1.972 1.00 0.00 C ATOM 819 CD1 LEU A 52 89.235 2.527 2.781 1.00 0.00 C ATOM 820 CD2 LEU A 52 90.515 0.492 2.091 1.00 0.00 C ATOM 0 H LEU A 52 85.931 1.685 3.558 1.00 0.00 H new ATOM 0 HA LEU A 52 86.891 1.025 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 52 87.983 0.433 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 52 88.278 -0.714 2.304 1.00 0.00 H new ATOM 0 HG LEU A 52 88.979 1.464 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 52 90.034 3.160 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 52 88.283 3.051 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 52 89.430 2.295 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 52 91.314 1.127 1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 52 90.709 0.256 3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 52 90.476 -0.431 1.512 1.00 0.00 H new ATOM 832 N ILE A 53 85.420 -0.937 0.667 1.00 0.00 N ATOM 833 CA ILE A 53 84.532 -2.089 0.520 1.00 0.00 C ATOM 834 C ILE A 53 85.270 -3.210 -0.206 1.00 0.00 C ATOM 835 O ILE A 53 85.791 -3.001 -1.301 1.00 0.00 O ATOM 836 CB ILE A 53 83.284 -1.687 -0.285 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.233 -1.072 0.647 1.00 0.00 C ATOM 838 CG2 ILE A 53 82.685 -2.919 -0.970 1.00 0.00 C ATOM 839 CD1 ILE A 53 82.763 0.235 1.243 1.00 0.00 C ATOM 0 H ILE A 53 85.726 -0.527 -0.215 1.00 0.00 H new ATOM 0 HA ILE A 53 84.225 -2.435 1.507 1.00 0.00 H new ATOM 0 HB ILE A 53 83.576 -0.955 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.312 -0.883 0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 53 81.988 -1.773 1.445 1.00 0.00 H new ATOM 0 HG21 ILE A 53 81.802 -2.626 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.422 -3.355 -1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.404 -3.654 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 53 82.010 0.665 1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 53 83.672 0.034 1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 53 82.985 0.938 0.440 1.00 0.00 H new ATOM 851 N TRP A 54 85.321 -4.394 0.402 1.00 0.00 N ATOM 852 CA TRP A 54 86.014 -5.520 -0.218 1.00 0.00 C ATOM 853 C TRP A 54 85.389 -6.853 0.188 1.00 0.00 C ATOM 854 O TRP A 54 84.969 -7.037 1.332 1.00 0.00 O ATOM 855 CB TRP A 54 87.491 -5.503 0.184 1.00 0.00 C ATOM 856 CG TRP A 54 88.188 -6.683 -0.416 1.00 0.00 C ATOM 857 CD1 TRP A 54 88.519 -6.810 -1.721 1.00 0.00 C ATOM 858 CD2 TRP A 54 88.642 -7.901 0.241 1.00 0.00 C ATOM 859 NE1 TRP A 54 89.145 -8.029 -1.908 1.00 0.00 N ATOM 860 CE2 TRP A 54 89.244 -8.738 -0.727 1.00 0.00 C ATOM 861 CE3 TRP A 54 88.588 -8.356 1.570 1.00 0.00 C ATOM 862 CZ2 TRP A 54 89.775 -9.983 -0.388 1.00 0.00 C ATOM 863 CZ3 TRP A 54 89.121 -9.608 1.915 1.00 0.00 C ATOM 864 CH2 TRP A 54 89.713 -10.420 0.938 1.00 0.00 C ATOM 0 H TRP A 54 84.898 -4.596 1.308 1.00 0.00 H new ATOM 0 HA TRP A 54 85.922 -5.417 -1.299 1.00 0.00 H new ATOM 0 HB2 TRP A 54 87.960 -4.580 -0.155 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.583 -5.527 1.270 1.00 0.00 H new ATOM 0 HD1 TRP A 54 88.326 -6.079 -2.492 1.00 0.00 H new ATOM 0 HE1 TRP A 54 89.491 -8.363 -2.807 1.00 0.00 H new ATOM 0 HE3 TRP A 54 88.134 -7.738 2.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 90.231 -10.604 -1.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 89.075 -9.947 2.939 1.00 0.00 H new ATOM 0 HH2 TRP A 54 90.121 -11.382 1.210 1.00 0.00 H new ATOM 875 N ALA A 55 85.355 -7.782 -0.767 1.00 0.00 N ATOM 876 CA ALA A 55 84.807 -9.119 -0.541 1.00 0.00 C ATOM 877 C ALA A 55 83.312 -9.079 -0.226 1.00 0.00 C ATOM 878 O ALA A 55 82.862 -9.642 0.774 1.00 0.00 O ATOM 879 CB ALA A 55 85.560 -9.815 0.597 1.00 0.00 C ATOM 0 H ALA A 55 85.704 -7.631 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 55 84.937 -9.684 -1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 55 85.142 -10.809 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 55 86.615 -9.902 0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 55 85.460 -9.230 1.511 1.00 0.00 H new ATOM 885 N GLY A 56 82.543 -8.431 -1.098 1.00 0.00 N ATOM 886 CA GLY A 56 81.094 -8.343 -0.927 1.00 0.00 C ATOM 887 C GLY A 56 80.697 -7.720 0.410 1.00 0.00 C ATOM 888 O GLY A 56 79.513 -7.683 0.749 1.00 0.00 O ATOM 0 H GLY A 56 82.898 -7.959 -1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 56 80.671 -7.751 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.662 -9.341 -1.001 1.00 0.00 H new ATOM 892 N LYS A 57 81.679 -7.240 1.172 1.00 0.00 N ATOM 893 CA LYS A 57 81.393 -6.637 2.471 1.00 0.00 C ATOM 894 C LYS A 57 82.197 -5.354 2.669 1.00 0.00 C ATOM 895 O LYS A 57 83.243 -5.160 2.048 1.00 0.00 O ATOM 896 CB LYS A 57 81.725 -7.632 3.588 1.00 0.00 C ATOM 897 CG LYS A 57 80.742 -7.456 4.751 1.00 0.00 C ATOM 898 CD LYS A 57 80.515 -8.804 5.442 1.00 0.00 C ATOM 899 CE LYS A 57 79.385 -8.675 6.469 1.00 0.00 C ATOM 900 NZ LYS A 57 78.077 -8.947 5.808 1.00 0.00 N ATOM 0 H LYS A 57 82.666 -7.256 0.916 1.00 0.00 H new ATOM 0 HA LYS A 57 80.333 -6.386 2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 57 81.672 -8.652 3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 57 82.746 -7.474 3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 57 81.134 -6.732 5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 57 79.795 -7.061 4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 57 80.262 -9.564 4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 57 81.431 -9.130 5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 57 79.543 -9.376 7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 57 79.385 -7.674 6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 77.311 -8.859 6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 77.927 -8.261 5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 78.080 -9.910 5.416 1.00 0.00 H new ATOM 914 N GLN A 58 81.699 -4.485 3.546 1.00 0.00 N ATOM 915 CA GLN A 58 82.370 -3.222 3.834 1.00 0.00 C ATOM 916 C GLN A 58 83.458 -3.428 4.884 1.00 0.00 C ATOM 917 O GLN A 58 83.202 -3.985 5.952 1.00 0.00 O ATOM 918 CB GLN A 58 81.351 -2.195 4.340 1.00 0.00 C ATOM 919 CG GLN A 58 82.066 -0.888 4.703 1.00 0.00 C ATOM 920 CD GLN A 58 81.118 0.295 4.528 1.00 0.00 C ATOM 921 OE1 GLN A 58 80.566 0.497 3.446 1.00 0.00 O ATOM 922 NE2 GLN A 58 80.897 1.096 5.535 1.00 0.00 N ATOM 0 H GLN A 58 80.835 -4.633 4.068 1.00 0.00 H new ATOM 0 HA GLN A 58 82.830 -2.853 2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.599 -2.008 3.574 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.827 -2.588 5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 58 82.419 -0.932 5.733 1.00 0.00 H new ATOM 0 HG3 GLN A 58 82.944 -0.757 4.070 1.00 0.00 H new ATOM 0 HE21 GLN A 58 81.355 0.927 6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 58 80.266 1.890 5.426 1.00 0.00 H new ATOM 931 N LEU A 59 84.671 -2.977 4.573 1.00 0.00 N ATOM 932 CA LEU A 59 85.790 -3.122 5.500 1.00 0.00 C ATOM 933 C LEU A 59 85.633 -2.168 6.681 1.00 0.00 C ATOM 934 O LEU A 59 85.397 -0.972 6.498 1.00 0.00 O ATOM 935 CB LEU A 59 87.114 -2.834 4.783 1.00 0.00 C ATOM 936 CG LEU A 59 87.406 -3.948 3.769 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.396 -3.438 2.718 1.00 0.00 C ATOM 938 CD2 LEU A 59 88.009 -5.157 4.494 1.00 0.00 C ATOM 0 H LEU A 59 84.903 -2.512 3.695 1.00 0.00 H new ATOM 0 HA LEU A 59 85.796 -4.147 5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 59 87.062 -1.871 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 59 87.925 -2.768 5.509 1.00 0.00 H new ATOM 0 HG LEU A 59 86.478 -4.244 3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 59 88.603 -4.230 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 59 87.967 -2.580 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.324 -3.140 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 59 88.216 -5.948 3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 59 88.936 -4.862 4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 59 87.304 -5.522 5.241 1.00 0.00 H new ATOM 950 N GLU A 60 85.761 -2.707 7.891 1.00 0.00 N ATOM 951 CA GLU A 60 85.628 -1.902 9.101 1.00 0.00 C ATOM 952 C GLU A 60 86.927 -1.156 9.397 1.00 0.00 C ATOM 953 O GLU A 60 88.010 -1.735 9.343 1.00 0.00 O ATOM 954 CB GLU A 60 85.269 -2.804 10.285 1.00 0.00 C ATOM 955 CG GLU A 60 83.957 -3.538 9.989 1.00 0.00 C ATOM 956 CD GLU A 60 83.467 -4.259 11.242 1.00 0.00 C ATOM 957 OE1 GLU A 60 82.865 -3.608 12.079 1.00 0.00 O ATOM 958 OE2 GLU A 60 83.701 -5.452 11.346 1.00 0.00 O ATOM 0 H GLU A 60 85.956 -3.694 8.059 1.00 0.00 H new ATOM 0 HA GLU A 60 84.835 -1.171 8.946 1.00 0.00 H new ATOM 0 HB2 GLU A 60 86.068 -3.523 10.463 1.00 0.00 H new ATOM 0 HB3 GLU A 60 85.168 -2.208 11.192 1.00 0.00 H new ATOM 0 HG2 GLU A 60 83.203 -2.828 9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 60 84.106 -4.255 9.182 1.00 0.00 H new ATOM 965 N ASP A 61 86.808 0.136 9.694 1.00 0.00 N ATOM 966 CA ASP A 61 87.978 0.967 9.984 1.00 0.00 C ATOM 967 C ASP A 61 88.867 0.333 11.056 1.00 0.00 C ATOM 968 O ASP A 61 90.075 0.571 11.090 1.00 0.00 O ATOM 969 CB ASP A 61 87.528 2.354 10.452 1.00 0.00 C ATOM 970 CG ASP A 61 88.735 3.282 10.564 1.00 0.00 C ATOM 971 OD1 ASP A 61 89.212 3.728 9.533 1.00 0.00 O ATOM 972 OD2 ASP A 61 89.166 3.532 11.678 1.00 0.00 O ATOM 0 H ASP A 61 85.917 0.631 9.741 1.00 0.00 H new ATOM 0 HA ASP A 61 88.560 1.054 9.066 1.00 0.00 H new ATOM 0 HB2 ASP A 61 86.805 2.767 9.749 1.00 0.00 H new ATOM 0 HB3 ASP A 61 87.027 2.277 11.417 1.00 0.00 H new ATOM 977 N GLY A 62 88.264 -0.468 11.932 1.00 0.00 N ATOM 978 CA GLY A 62 89.015 -1.122 13.000 1.00 0.00 C ATOM 979 C GLY A 62 89.782 -2.338 12.482 1.00 0.00 C ATOM 980 O GLY A 62 90.517 -2.982 13.231 1.00 0.00 O ATOM 0 H GLY A 62 87.266 -0.678 11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.713 -0.412 13.443 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.331 -1.432 13.790 1.00 0.00 H new ATOM 984 N ARG A 63 89.600 -2.651 11.201 1.00 0.00 N ATOM 985 CA ARG A 63 90.275 -3.795 10.593 1.00 0.00 C ATOM 986 C ARG A 63 91.725 -3.455 10.255 1.00 0.00 C ATOM 987 O ARG A 63 92.081 -2.284 10.107 1.00 0.00 O ATOM 988 CB ARG A 63 89.534 -4.223 9.320 1.00 0.00 C ATOM 989 CG ARG A 63 89.841 -5.694 9.007 1.00 0.00 C ATOM 990 CD ARG A 63 88.547 -6.512 9.049 1.00 0.00 C ATOM 991 NE ARG A 63 87.541 -5.920 8.170 1.00 0.00 N ATOM 992 CZ ARG A 63 86.246 -6.200 8.310 1.00 0.00 C ATOM 993 NH1 ARG A 63 85.747 -6.417 9.496 1.00 0.00 N ATOM 994 NH2 ARG A 63 85.475 -6.259 7.259 1.00 0.00 N ATOM 0 H ARG A 63 88.994 -2.131 10.567 1.00 0.00 H new ATOM 0 HA ARG A 63 90.270 -4.616 11.310 1.00 0.00 H new ATOM 0 HB2 ARG A 63 88.460 -4.086 9.450 1.00 0.00 H new ATOM 0 HB3 ARG A 63 89.837 -3.593 8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 63 90.304 -5.778 8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 63 90.555 -6.088 9.730 1.00 0.00 H new ATOM 0 HD2 ARG A 63 88.748 -7.538 8.742 1.00 0.00 H new ATOM 0 HD3 ARG A 63 88.168 -6.553 10.070 1.00 0.00 H new ATOM 0 HE ARG A 63 87.836 -5.279 7.434 1.00 0.00 H new ATOM 0 HH11 ARG A 63 86.349 -6.372 10.318 1.00 0.00 H new ATOM 0 HH12 ARG A 63 84.755 -6.631 9.601 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.864 -6.091 6.331 1.00 0.00 H new ATOM 0 HH22 ARG A 63 84.483 -6.473 7.365 1.00 0.00 H new ATOM 1008 N THR A 64 92.555 -4.491 10.139 1.00 0.00 N ATOM 1009 CA THR A 64 93.969 -4.305 9.821 1.00 0.00 C ATOM 1010 C THR A 64 94.303 -4.902 8.458 1.00 0.00 C ATOM 1011 O THR A 64 93.493 -5.613 7.859 1.00 0.00 O ATOM 1012 CB THR A 64 94.840 -4.978 10.888 1.00 0.00 C ATOM 1013 OG1 THR A 64 94.331 -6.275 11.165 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.831 -4.139 12.166 1.00 0.00 C ATOM 0 H THR A 64 92.274 -5.464 10.260 1.00 0.00 H new ATOM 0 HA THR A 64 94.171 -3.234 9.799 1.00 0.00 H new ATOM 0 HB THR A 64 95.863 -5.060 10.521 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.888 -6.707 11.846 1.00 0.00 H new ATOM 0 HG21 THR A 64 95.451 -4.621 12.922 1.00 0.00 H new ATOM 0 HG22 THR A 64 95.226 -3.146 11.952 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.810 -4.051 12.537 1.00 0.00 H new ATOM 1022 N LEU A 65 95.509 -4.611 7.981 1.00 0.00 N ATOM 1023 CA LEU A 65 95.968 -5.121 6.696 1.00 0.00 C ATOM 1024 C LEU A 65 96.323 -6.601 6.824 1.00 0.00 C ATOM 1025 O LEU A 65 96.014 -7.407 5.945 1.00 0.00 O ATOM 1026 CB LEU A 65 97.193 -4.312 6.235 1.00 0.00 C ATOM 1027 CG LEU A 65 96.741 -3.089 5.416 1.00 0.00 C ATOM 1028 CD1 LEU A 65 97.946 -2.467 4.710 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.707 -3.504 4.363 1.00 0.00 C ATOM 0 H LEU A 65 96.187 -4.023 8.467 1.00 0.00 H new ATOM 0 HA LEU A 65 95.175 -5.017 5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.771 -3.987 7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.848 -4.941 5.633 1.00 0.00 H new ATOM 0 HG LEU A 65 96.292 -2.364 6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.622 -1.602 4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.680 -2.153 5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 65 98.396 -3.202 4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 65 95.397 -2.628 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 65 96.148 -4.239 3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.839 -3.940 4.857 1.00 0.00 H new ATOM 1041 N SER A 66 96.969 -6.943 7.935 1.00 0.00 N ATOM 1042 CA SER A 66 97.367 -8.323 8.202 1.00 0.00 C ATOM 1043 C SER A 66 96.142 -9.195 8.469 1.00 0.00 C ATOM 1044 O SER A 66 96.243 -10.421 8.523 1.00 0.00 O ATOM 1045 CB SER A 66 98.301 -8.374 9.411 1.00 0.00 C ATOM 1046 OG SER A 66 97.726 -7.639 10.482 1.00 0.00 O ATOM 0 H SER A 66 97.229 -6.282 8.667 1.00 0.00 H new ATOM 0 HA SER A 66 97.887 -8.705 7.323 1.00 0.00 H new ATOM 0 HB2 SER A 66 98.467 -9.408 9.713 1.00 0.00 H new ATOM 0 HB3 SER A 66 99.274 -7.958 9.151 1.00 0.00 H new ATOM 0 HG SER A 66 98.237 -7.802 11.302 1.00 0.00 H new ATOM 1052 N ASP A 67 94.984 -8.553 8.625 1.00 0.00 N ATOM 1053 CA ASP A 67 93.743 -9.280 8.873 1.00 0.00 C ATOM 1054 C ASP A 67 93.522 -10.321 7.780 1.00 0.00 C ATOM 1055 O ASP A 67 92.905 -11.363 8.008 1.00 0.00 O ATOM 1056 CB ASP A 67 92.565 -8.302 8.904 1.00 0.00 C ATOM 1057 CG ASP A 67 91.298 -9.018 9.365 1.00 0.00 C ATOM 1058 OD1 ASP A 67 90.621 -9.585 8.523 1.00 0.00 O ATOM 1059 OD2 ASP A 67 91.024 -8.988 10.554 1.00 0.00 O ATOM 0 H ASP A 67 94.881 -7.539 8.584 1.00 0.00 H new ATOM 0 HA ASP A 67 93.814 -9.785 9.836 1.00 0.00 H new ATOM 0 HB2 ASP A 67 92.788 -7.473 9.576 1.00 0.00 H new ATOM 0 HB3 ASP A 67 92.410 -7.876 7.913 1.00 0.00 H new ATOM 1064 N TYR A 68 94.050 -10.026 6.594 1.00 0.00 N ATOM 1065 CA TYR A 68 93.935 -10.932 5.457 1.00 0.00 C ATOM 1066 C TYR A 68 95.312 -11.235 4.871 1.00 0.00 C ATOM 1067 O TYR A 68 95.432 -12.005 3.918 1.00 0.00 O ATOM 1068 CB TYR A 68 93.034 -10.319 4.380 1.00 0.00 C ATOM 1069 CG TYR A 68 91.982 -11.326 3.978 1.00 0.00 C ATOM 1070 CD1 TYR A 68 92.261 -12.271 2.982 1.00 0.00 C ATOM 1071 CD2 TYR A 68 90.729 -11.319 4.604 1.00 0.00 C ATOM 1072 CE1 TYR A 68 91.288 -13.207 2.613 1.00 0.00 C ATOM 1073 CE2 TYR A 68 89.757 -12.257 4.236 1.00 0.00 C ATOM 1074 CZ TYR A 68 90.036 -13.200 3.240 1.00 0.00 C ATOM 1075 OH TYR A 68 89.077 -14.123 2.877 1.00 0.00 O ATOM 0 H TYR A 68 94.562 -9.166 6.397 1.00 0.00 H new ATOM 0 HA TYR A 68 93.490 -11.864 5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 68 92.561 -9.413 4.758 1.00 0.00 H new ATOM 0 HB3 TYR A 68 93.628 -10.031 3.513 1.00 0.00 H new ATOM 0 HD1 TYR A 68 93.227 -12.277 2.499 1.00 0.00 H new ATOM 0 HD2 TYR A 68 90.513 -10.590 5.371 1.00 0.00 H new ATOM 0 HE1 TYR A 68 91.503 -13.935 1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.792 -12.253 4.721 1.00 0.00 H new ATOM 0 HH TYR A 68 88.267 -13.980 3.410 1.00 0.00 H new ATOM 1085 N ASN A 69 96.343 -10.606 5.438 1.00 0.00 N ATOM 1086 CA ASN A 69 97.716 -10.789 4.963 1.00 0.00 C ATOM 1087 C ASN A 69 97.921 -10.012 3.666 1.00 0.00 C ATOM 1088 O ASN A 69 98.665 -10.433 2.779 1.00 0.00 O ATOM 1089 CB ASN A 69 98.020 -12.277 4.741 1.00 0.00 C ATOM 1090 CG ASN A 69 99.525 -12.519 4.816 1.00 0.00 C ATOM 1091 OD1 ASN A 69 100.175 -12.726 3.791 1.00 0.00 O ATOM 1092 ND2 ASN A 69 100.123 -12.502 5.977 1.00 0.00 N ATOM 0 H ASN A 69 96.253 -9.965 6.227 1.00 0.00 H new ATOM 0 HA ASN A 69 98.401 -10.410 5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 69 97.509 -12.877 5.494 1.00 0.00 H new ATOM 0 HB3 ASN A 69 97.640 -12.593 3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 69 101.129 -12.660 6.035 1.00 0.00 H new ATOM 0 HD22 ASN A 69 99.584 -12.330 6.826 1.00 0.00 H new ATOM 1099 N ILE A 70 97.246 -8.870 3.575 1.00 0.00 N ATOM 1100 CA ILE A 70 97.337 -8.016 2.395 1.00 0.00 C ATOM 1101 C ILE A 70 98.765 -7.510 2.206 1.00 0.00 C ATOM 1102 O ILE A 70 99.332 -6.871 3.094 1.00 0.00 O ATOM 1103 CB ILE A 70 96.381 -6.828 2.540 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.933 -7.339 2.555 1.00 0.00 C ATOM 1105 CG2 ILE A 70 96.572 -5.863 1.364 1.00 0.00 C ATOM 1106 CD1 ILE A 70 94.024 -6.300 3.217 1.00 0.00 C ATOM 0 H ILE A 70 96.629 -8.514 4.305 1.00 0.00 H new ATOM 0 HA ILE A 70 97.057 -8.602 1.520 1.00 0.00 H new ATOM 0 HB ILE A 70 96.594 -6.304 3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 70 94.596 -7.535 1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 70 94.876 -8.283 3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.890 -5.019 1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.600 -5.500 1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 70 96.362 -6.383 0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.998 -6.667 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 70 94.355 -6.126 4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 70 94.071 -5.366 2.657 1.00 0.00 H new ATOM 1118 N GLN A 71 99.339 -7.804 1.040 1.00 0.00 N ATOM 1119 CA GLN A 71 100.701 -7.380 0.732 1.00 0.00 C ATOM 1120 C GLN A 71 100.691 -6.210 -0.250 1.00 0.00 C ATOM 1121 O GLN A 71 99.650 -5.872 -0.816 1.00 0.00 O ATOM 1122 CB GLN A 71 101.488 -8.545 0.126 1.00 0.00 C ATOM 1123 CG GLN A 71 101.409 -9.760 1.053 1.00 0.00 C ATOM 1124 CD GLN A 71 102.412 -10.820 0.613 1.00 0.00 C ATOM 1125 OE1 GLN A 71 102.208 -11.484 -0.404 1.00 0.00 O ATOM 1126 NE2 GLN A 71 103.489 -11.021 1.320 1.00 0.00 N ATOM 0 H GLN A 71 98.883 -8.332 0.296 1.00 0.00 H new ATOM 0 HA GLN A 71 101.178 -7.060 1.659 1.00 0.00 H new ATOM 0 HB2 GLN A 71 101.085 -8.797 -0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 71 102.528 -8.256 -0.022 1.00 0.00 H new ATOM 0 HG2 GLN A 71 101.614 -9.458 2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 71 100.401 -10.174 1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 71 103.656 -10.470 2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 71 104.164 -11.729 1.031 1.00 0.00 H new ATOM 1135 N ARG A 72 101.857 -5.598 -0.440 1.00 0.00 N ATOM 1136 CA ARG A 72 101.983 -4.464 -1.354 1.00 0.00 C ATOM 1137 C ARG A 72 101.354 -4.783 -2.711 1.00 0.00 C ATOM 1138 O ARG A 72 100.669 -3.945 -3.299 1.00 0.00 O ATOM 1139 CB ARG A 72 103.461 -4.098 -1.544 1.00 0.00 C ATOM 1140 CG ARG A 72 104.311 -5.372 -1.635 1.00 0.00 C ATOM 1141 CD ARG A 72 105.448 -5.163 -2.639 1.00 0.00 C ATOM 1142 NE ARG A 72 106.109 -6.431 -2.927 1.00 0.00 N ATOM 1143 CZ ARG A 72 107.207 -6.481 -3.672 1.00 0.00 C ATOM 1144 NH1 ARG A 72 108.329 -5.992 -3.216 1.00 0.00 N ATOM 1145 NH2 ARG A 72 107.165 -7.019 -4.860 1.00 0.00 N ATOM 0 H ARG A 72 102.725 -5.866 0.024 1.00 0.00 H new ATOM 0 HA ARG A 72 101.454 -3.617 -0.916 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.583 -3.504 -2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.802 -3.483 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 72 104.719 -5.619 -0.655 1.00 0.00 H new ATOM 0 HG3 ARG A 72 103.691 -6.213 -1.943 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.054 -4.733 -3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 72 106.170 -4.452 -2.238 1.00 0.00 H new ATOM 0 HE ARG A 72 105.721 -7.295 -2.549 1.00 0.00 H new ATOM 0 HH11 ARG A 72 108.362 -5.572 -2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 72 109.172 -6.031 -3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 72 106.289 -7.401 -5.216 1.00 0.00 H new ATOM 0 HH22 ARG A 72 108.008 -7.058 -5.433 1.00 0.00 H new ATOM 1159 N GLU A 73 101.603 -5.992 -3.206 1.00 0.00 N ATOM 1160 CA GLU A 73 101.067 -6.409 -4.499 1.00 0.00 C ATOM 1161 C GLU A 73 99.595 -6.816 -4.384 1.00 0.00 C ATOM 1162 O GLU A 73 99.188 -7.857 -4.902 1.00 0.00 O ATOM 1163 CB GLU A 73 101.889 -7.582 -5.042 1.00 0.00 C ATOM 1164 CG GLU A 73 103.372 -7.198 -5.077 1.00 0.00 C ATOM 1165 CD GLU A 73 104.221 -8.416 -5.428 1.00 0.00 C ATOM 1166 OE1 GLU A 73 104.263 -8.768 -6.596 1.00 0.00 O ATOM 1167 OE2 GLU A 73 104.818 -8.979 -4.524 1.00 0.00 O ATOM 0 H GLU A 73 102.169 -6.697 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 73 101.132 -5.564 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 73 101.745 -8.461 -4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 73 101.548 -7.846 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 73 103.534 -6.408 -5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 73 103.676 -6.800 -4.109 1.00 0.00 H new ATOM 1174 N SER A 74 98.804 -5.986 -3.705 1.00 0.00 N ATOM 1175 CA SER A 74 97.378 -6.263 -3.532 1.00 0.00 C ATOM 1176 C SER A 74 96.540 -5.095 -4.047 1.00 0.00 C ATOM 1177 O SER A 74 96.972 -3.942 -4.000 1.00 0.00 O ATOM 1178 CB SER A 74 97.067 -6.503 -2.053 1.00 0.00 C ATOM 1179 OG SER A 74 95.718 -6.931 -1.919 1.00 0.00 O ATOM 0 H SER A 74 99.123 -5.121 -3.268 1.00 0.00 H new ATOM 0 HA SER A 74 97.128 -7.156 -4.104 1.00 0.00 H new ATOM 0 HB2 SER A 74 97.741 -7.256 -1.645 1.00 0.00 H new ATOM 0 HB3 SER A 74 97.229 -5.588 -1.483 1.00 0.00 H new ATOM 0 HG SER A 74 95.665 -7.639 -1.243 1.00 0.00 H new ATOM 1185 N THR A 75 95.338 -5.403 -4.534 1.00 0.00 N ATOM 1186 CA THR A 75 94.441 -4.374 -5.057 1.00 0.00 C ATOM 1187 C THR A 75 93.311 -4.098 -4.070 1.00 0.00 C ATOM 1188 O THR A 75 92.372 -4.888 -3.944 1.00 0.00 O ATOM 1189 CB THR A 75 93.857 -4.823 -6.402 1.00 0.00 C ATOM 1190 OG1 THR A 75 94.910 -5.248 -7.255 1.00 0.00 O ATOM 1191 CG2 THR A 75 93.108 -3.658 -7.054 1.00 0.00 C ATOM 0 H THR A 75 94.965 -6.351 -4.577 1.00 0.00 H new ATOM 0 HA THR A 75 95.012 -3.457 -5.201 1.00 0.00 H new ATOM 0 HB THR A 75 93.164 -5.649 -6.238 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.538 -5.537 -8.115 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.694 -3.981 -8.009 1.00 0.00 H new ATOM 0 HG22 THR A 75 92.299 -3.334 -6.399 1.00 0.00 H new ATOM 0 HG23 THR A 75 93.797 -2.829 -7.218 1.00 0.00 H new ATOM 1199 N LEU A 76 93.412 -2.971 -3.371 1.00 0.00 N ATOM 1200 CA LEU A 76 92.403 -2.586 -2.392 1.00 0.00 C ATOM 1201 C LEU A 76 91.221 -1.906 -3.073 1.00 0.00 C ATOM 1202 O LEU A 76 91.400 -1.010 -3.899 1.00 0.00 O ATOM 1203 CB LEU A 76 93.014 -1.627 -1.363 1.00 0.00 C ATOM 1204 CG LEU A 76 93.089 -2.313 0.006 1.00 0.00 C ATOM 1205 CD1 LEU A 76 94.218 -3.347 0.002 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.362 -1.265 1.091 1.00 0.00 C ATOM 0 H LEU A 76 94.182 -2.309 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 76 92.051 -3.488 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 76 94.011 -1.323 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.411 -0.721 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 76 92.142 -2.811 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 76 94.269 -3.833 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 76 94.024 -4.095 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 76 95.166 -2.850 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 76 93.415 -1.754 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 76 94.308 -0.765 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 76 92.557 -0.530 1.098 1.00 0.00 H new ATOM 1218 N HIS A 77 90.015 -2.329 -2.711 1.00 0.00 N ATOM 1219 CA HIS A 77 88.806 -1.748 -3.278 1.00 0.00 C ATOM 1220 C HIS A 77 88.294 -0.638 -2.367 1.00 0.00 C ATOM 1221 O HIS A 77 87.744 -0.903 -1.294 1.00 0.00 O ATOM 1222 CB HIS A 77 87.736 -2.830 -3.446 1.00 0.00 C ATOM 1223 CG HIS A 77 88.062 -3.668 -4.651 1.00 0.00 C ATOM 1224 ND1 HIS A 77 89.268 -4.341 -4.779 1.00 0.00 N ATOM 1225 CD2 HIS A 77 87.356 -3.946 -5.795 1.00 0.00 C ATOM 1226 CE1 HIS A 77 89.251 -4.984 -5.961 1.00 0.00 C ATOM 1227 NE2 HIS A 77 88.107 -4.776 -6.620 1.00 0.00 N ATOM 0 H HIS A 77 89.850 -3.070 -2.030 1.00 0.00 H new ATOM 0 HA HIS A 77 89.034 -1.327 -4.257 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.692 -3.456 -2.555 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.754 -2.372 -3.562 1.00 0.00 H new ATOM 0 HD1 HIS A 77 90.030 -4.347 -4.100 1.00 0.00 H new ATOM 0 HD2 HIS A 77 86.367 -3.576 -6.020 1.00 0.00 H new ATOM 0 HE1 HIS A 77 90.062 -5.593 -6.332 1.00 0.00 H new ATOM 1235 N LEU A 78 88.482 0.607 -2.797 1.00 0.00 N ATOM 1236 CA LEU A 78 88.049 1.760 -2.015 1.00 0.00 C ATOM 1237 C LEU A 78 86.827 2.413 -2.658 1.00 0.00 C ATOM 1238 O LEU A 78 86.716 2.469 -3.882 1.00 0.00 O ATOM 1239 CB LEU A 78 89.197 2.772 -1.931 1.00 0.00 C ATOM 1240 CG LEU A 78 88.790 3.966 -1.057 1.00 0.00 C ATOM 1241 CD1 LEU A 78 89.985 4.406 -0.207 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.346 5.132 -1.950 1.00 0.00 C ATOM 0 H LEU A 78 88.931 0.842 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 78 87.776 1.430 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 78 90.083 2.293 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.461 3.117 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 78 87.966 3.672 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 78 89.697 5.254 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 78 90.302 3.580 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 78 90.808 4.697 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 78 88.058 5.978 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 78 89.169 5.425 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.495 4.822 -2.557 1.00 0.00 H new ATOM 1254 N VAL A 79 85.917 2.906 -1.823 1.00 0.00 N ATOM 1255 CA VAL A 79 84.706 3.557 -2.315 1.00 0.00 C ATOM 1256 C VAL A 79 84.746 5.051 -2.000 1.00 0.00 C ATOM 1257 O VAL A 79 85.037 5.450 -0.871 1.00 0.00 O ATOM 1258 CB VAL A 79 83.471 2.917 -1.672 1.00 0.00 C ATOM 1259 CG1 VAL A 79 82.234 3.777 -1.947 1.00 0.00 C ATOM 1260 CG2 VAL A 79 83.260 1.520 -2.265 1.00 0.00 C ATOM 0 H VAL A 79 85.994 2.868 -0.807 1.00 0.00 H new ATOM 0 HA VAL A 79 84.650 3.428 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 79 83.623 2.843 -0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 79 81.360 3.315 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 79 82.382 4.772 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 79 82.078 3.856 -3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 79 82.382 1.061 -1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 79 83.111 1.601 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 79 84.137 0.904 -2.065 1.00 0.00 H new ATOM 1270 N LEU A 80 84.460 5.871 -3.010 1.00 0.00 N ATOM 1271 CA LEU A 80 84.469 7.321 -2.841 1.00 0.00 C ATOM 1272 C LEU A 80 83.047 7.864 -2.730 1.00 0.00 C ATOM 1273 O LEU A 80 82.184 7.541 -3.546 1.00 0.00 O ATOM 1274 CB LEU A 80 85.180 7.975 -4.034 1.00 0.00 C ATOM 1275 CG LEU A 80 86.408 8.750 -3.543 1.00 0.00 C ATOM 1276 CD1 LEU A 80 87.460 8.807 -4.654 1.00 0.00 C ATOM 1277 CD2 LEU A 80 85.996 10.174 -3.155 1.00 0.00 C ATOM 0 H LEU A 80 84.220 5.556 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 80 85.002 7.558 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 80 85.482 7.213 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.497 8.648 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 80 86.828 8.244 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 80 88.332 9.359 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 80 87.757 7.794 -4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 80 87.041 9.309 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 80 86.870 10.723 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 80 85.572 10.679 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 80 85.252 10.133 -2.360 1.00 0.00 H new ATOM 1289 N ARG A 81 82.816 8.694 -1.714 1.00 0.00 N ATOM 1290 CA ARG A 81 81.497 9.285 -1.497 1.00 0.00 C ATOM 1291 C ARG A 81 81.194 10.342 -2.555 1.00 0.00 C ATOM 1292 O ARG A 81 82.052 10.683 -3.371 1.00 0.00 O ATOM 1293 CB ARG A 81 81.434 9.935 -0.111 1.00 0.00 C ATOM 1294 CG ARG A 81 81.137 8.872 0.949 1.00 0.00 C ATOM 1295 CD ARG A 81 80.890 9.557 2.296 1.00 0.00 C ATOM 1296 NE ARG A 81 80.288 8.619 3.237 1.00 0.00 N ATOM 1297 CZ ARG A 81 79.313 8.998 4.055 1.00 0.00 C ATOM 1298 NH1 ARG A 81 79.575 9.786 5.061 1.00 0.00 N ATOM 1299 NH2 ARG A 81 78.094 8.580 3.855 1.00 0.00 N ATOM 0 H ARG A 81 83.521 8.971 -1.031 1.00 0.00 H new ATOM 0 HA ARG A 81 80.756 8.489 -1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 81 82.380 10.429 0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 81 80.661 10.703 -0.095 1.00 0.00 H new ATOM 0 HG2 ARG A 81 80.264 8.287 0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 81 81.973 8.178 1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 81 81.831 9.933 2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 81 80.235 10.417 2.160 1.00 0.00 H new ATOM 0 HE ARG A 81 80.622 7.656 3.267 1.00 0.00 H new ATOM 0 HH11 ARG A 81 80.529 10.111 5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 81 78.826 10.077 5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 81 77.889 7.962 3.070 1.00 0.00 H new ATOM 0 HH22 ARG A 81 77.345 8.871 4.484 1.00 0.00 H new ATOM 1422 N ALA A 91 78.154 6.373 -8.604 1.00 0.00 N ATOM 1423 CA ALA A 91 78.390 6.588 -7.179 1.00 0.00 C ATOM 1424 C ALA A 91 77.552 7.758 -6.677 1.00 0.00 C ATOM 1425 O ALA A 91 77.540 8.826 -7.291 1.00 0.00 O ATOM 1426 CB ALA A 91 79.873 6.874 -6.932 1.00 0.00 C ATOM 0 HA ALA A 91 78.102 5.687 -6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 91 80.040 7.033 -5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.468 6.026 -7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.168 7.767 -7.483 1.00 0.00 H new ATOM 1432 N ASP A 92 76.847 7.550 -5.567 1.00 0.00 N ATOM 1433 CA ASP A 92 75.999 8.602 -5.007 1.00 0.00 C ATOM 1434 C ASP A 92 75.897 8.480 -3.487 1.00 0.00 C ATOM 1435 O ASP A 92 74.828 8.684 -2.910 1.00 0.00 O ATOM 1436 CB ASP A 92 74.600 8.521 -5.626 1.00 0.00 C ATOM 1437 CG ASP A 92 74.691 8.635 -7.146 1.00 0.00 C ATOM 1438 OD1 ASP A 92 74.858 7.610 -7.790 1.00 0.00 O ATOM 1439 OD2 ASP A 92 74.597 9.744 -7.645 1.00 0.00 O ATOM 0 H ASP A 92 76.845 6.675 -5.043 1.00 0.00 H new ATOM 0 HA ASP A 92 76.452 9.565 -5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 92 74.127 7.578 -5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 92 73.972 9.320 -5.231 1.00 0.00 H new ATOM 1444 N GLU A 93 77.017 8.150 -2.844 1.00 0.00 N ATOM 1445 CA GLU A 93 77.052 8.004 -1.387 1.00 0.00 C ATOM 1446 C GLU A 93 75.897 7.125 -0.902 1.00 0.00 C ATOM 1447 O GLU A 93 74.925 7.621 -0.331 1.00 0.00 O ATOM 1448 CB GLU A 93 76.982 9.384 -0.718 1.00 0.00 C ATOM 1449 CG GLU A 93 77.506 9.282 0.720 1.00 0.00 C ATOM 1450 CD GLU A 93 76.534 9.955 1.686 1.00 0.00 C ATOM 1451 OE1 GLU A 93 75.461 9.410 1.891 1.00 0.00 O ATOM 1452 OE2 GLU A 93 76.878 11.002 2.208 1.00 0.00 O ATOM 0 H GLU A 93 77.910 7.979 -3.306 1.00 0.00 H new ATOM 0 HA GLU A 93 77.990 7.521 -1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 93 77.575 10.104 -1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 93 75.955 9.748 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 93 77.635 8.235 0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 93 78.486 9.754 0.792 1.00 0.00 H new ATOM 1459 N GLU A 94 76.031 5.816 -1.137 1.00 0.00 N ATOM 1460 CA GLU A 94 75.025 4.825 -0.739 1.00 0.00 C ATOM 1461 C GLU A 94 75.050 3.657 -1.723 1.00 0.00 C ATOM 1462 O GLU A 94 75.574 2.584 -1.420 1.00 0.00 O ATOM 1463 CB GLU A 94 73.615 5.443 -0.707 1.00 0.00 C ATOM 1464 CG GLU A 94 72.555 4.335 -0.681 1.00 0.00 C ATOM 1465 CD GLU A 94 71.207 4.913 -0.259 1.00 0.00 C ATOM 1466 OE1 GLU A 94 70.962 4.985 0.934 1.00 0.00 O ATOM 1467 OE2 GLU A 94 70.439 5.275 -1.135 1.00 0.00 O ATOM 0 H GLU A 94 76.840 5.413 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 94 75.265 4.475 0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 94 73.508 6.080 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 94 73.468 6.078 -1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 94 72.471 3.877 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 94 72.856 3.549 0.011 1.00 0.00 H new ATOM 1474 N GLU A 95 74.475 3.883 -2.900 1.00 0.00 N ATOM 1475 CA GLU A 95 74.421 2.859 -3.940 1.00 0.00 C ATOM 1476 C GLU A 95 75.821 2.506 -4.442 1.00 0.00 C ATOM 1477 O GLU A 95 75.992 1.537 -5.180 1.00 0.00 O ATOM 1478 CB GLU A 95 73.559 3.344 -5.109 1.00 0.00 C ATOM 1479 CG GLU A 95 74.217 4.556 -5.780 1.00 0.00 C ATOM 1480 CD GLU A 95 73.689 4.706 -7.203 1.00 0.00 C ATOM 1481 OE1 GLU A 95 74.071 3.905 -8.041 1.00 0.00 O ATOM 1482 OE2 GLU A 95 72.911 5.615 -7.435 1.00 0.00 O ATOM 0 H GLU A 95 74.039 4.768 -3.159 1.00 0.00 H new ATOM 0 HA GLU A 95 73.977 1.963 -3.507 1.00 0.00 H new ATOM 0 HB2 GLU A 95 73.432 2.541 -5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 95 72.565 3.611 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 95 74.007 5.459 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 95 75.300 4.432 -5.795 1.00 0.00 H new ATOM 1489 N LEU A 96 76.818 3.291 -4.037 1.00 0.00 N ATOM 1490 CA LEU A 96 78.194 3.037 -4.457 1.00 0.00 C ATOM 1491 C LEU A 96 78.775 1.827 -3.724 1.00 0.00 C ATOM 1492 O LEU A 96 79.845 1.333 -4.081 1.00 0.00 O ATOM 1493 CB LEU A 96 79.082 4.269 -4.218 1.00 0.00 C ATOM 1494 CG LEU A 96 78.625 5.045 -2.977 1.00 0.00 C ATOM 1495 CD1 LEU A 96 78.566 4.114 -1.764 1.00 0.00 C ATOM 1496 CD2 LEU A 96 79.625 6.172 -2.698 1.00 0.00 C ATOM 0 H LEU A 96 76.701 4.099 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 96 78.176 2.824 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 96 80.119 3.956 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 96 79.048 4.921 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 96 77.632 5.458 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 96 78.240 4.677 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 96 77.861 3.306 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 96 79.555 3.695 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 96 79.308 6.730 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 96 80.613 5.747 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 96 79.666 6.843 -3.556 1.00 0.00 H new ATOM 1508 N ILE A 97 78.064 1.354 -2.702 1.00 0.00 N ATOM 1509 CA ILE A 97 78.518 0.200 -1.931 1.00 0.00 C ATOM 1510 C ILE A 97 77.936 -1.088 -2.512 1.00 0.00 C ATOM 1511 O ILE A 97 78.668 -2.034 -2.803 1.00 0.00 O ATOM 1512 CB ILE A 97 78.098 0.350 -0.459 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.153 1.175 0.292 1.00 0.00 C ATOM 1514 CG2 ILE A 97 77.977 -1.031 0.196 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.460 2.139 1.257 1.00 0.00 C ATOM 0 H ILE A 97 77.177 1.750 -2.391 1.00 0.00 H new ATOM 0 HA ILE A 97 79.605 0.149 -1.986 1.00 0.00 H new ATOM 0 HB ILE A 97 77.133 0.855 -0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 97 79.823 0.514 0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 97 79.766 1.732 -0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.679 -0.915 1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 97 77.227 -1.620 -0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 97 78.939 -1.542 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.211 2.724 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 97 77.808 2.809 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 97 77.867 1.572 1.974 1.00 0.00 H new ATOM 1527 N ARG A 98 76.614 -1.114 -2.673 1.00 0.00 N ATOM 1528 CA ARG A 98 75.938 -2.290 -3.213 1.00 0.00 C ATOM 1529 C ARG A 98 76.356 -2.542 -4.659 1.00 0.00 C ATOM 1530 O ARG A 98 76.444 -3.691 -5.098 1.00 0.00 O ATOM 1531 CB ARG A 98 74.418 -2.100 -3.143 1.00 0.00 C ATOM 1532 CG ARG A 98 74.001 -0.912 -4.019 1.00 0.00 C ATOM 1533 CD ARG A 98 72.561 -0.511 -3.691 1.00 0.00 C ATOM 1534 NE ARG A 98 71.642 -1.588 -4.043 1.00 0.00 N ATOM 1535 CZ ARG A 98 70.402 -1.330 -4.446 1.00 0.00 C ATOM 1536 NH1 ARG A 98 69.554 -0.768 -3.629 1.00 0.00 N ATOM 1537 NH2 ARG A 98 70.033 -1.639 -5.658 1.00 0.00 N ATOM 0 H ARG A 98 75.994 -0.339 -2.439 1.00 0.00 H new ATOM 0 HA ARG A 98 76.225 -3.153 -2.612 1.00 0.00 H new ATOM 0 HB2 ARG A 98 73.913 -3.006 -3.479 1.00 0.00 H new ATOM 0 HB3 ARG A 98 74.111 -1.928 -2.111 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.671 -0.069 -3.849 1.00 0.00 H new ATOM 0 HG3 ARG A 98 74.084 -1.178 -5.073 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.473 -0.282 -2.629 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.296 0.395 -4.236 1.00 0.00 H new ATOM 0 HE ARG A 98 71.957 -2.556 -3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 98 69.843 -0.527 -2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 98 68.602 -0.570 -3.938 1.00 0.00 H new ATOM 0 HH21 ARG A 98 70.696 -2.079 -6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 98 69.081 -1.441 -5.967 1.00 0.00 H new ATOM 1551 N LYS A 99 76.616 -1.462 -5.391 1.00 0.00 N ATOM 1552 CA LYS A 99 77.024 -1.579 -6.785 1.00 0.00 C ATOM 1553 C LYS A 99 78.469 -2.053 -6.884 1.00 0.00 C ATOM 1554 O LYS A 99 78.835 -2.727 -7.840 1.00 0.00 O ATOM 1555 CB LYS A 99 76.862 -0.232 -7.501 1.00 0.00 C ATOM 1556 CG LYS A 99 78.069 0.669 -7.212 1.00 0.00 C ATOM 1557 CD LYS A 99 77.867 2.026 -7.891 1.00 0.00 C ATOM 1558 CE LYS A 99 78.140 1.899 -9.394 1.00 0.00 C ATOM 1559 NZ LYS A 99 76.857 1.668 -10.117 1.00 0.00 N ATOM 0 H LYS A 99 76.552 -0.505 -5.045 1.00 0.00 H new ATOM 0 HA LYS A 99 76.383 -2.316 -7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 99 76.767 -0.392 -8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 99 75.946 0.257 -7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 99 78.188 0.802 -6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 99 78.982 0.200 -7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 99 76.849 2.378 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 99 78.536 2.766 -7.452 1.00 0.00 H new ATOM 0 HE2 LYS A 99 78.620 2.805 -9.765 1.00 0.00 H new ATOM 0 HE3 LYS A 99 78.828 1.074 -9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 76.954 0.842 -10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 76.097 1.495 -9.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 76.624 2.506 -10.687 1.00 0.00 H new ATOM 1573 N ALA A 100 79.277 -1.716 -5.877 1.00 0.00 N ATOM 1574 CA ALA A 100 80.679 -2.128 -5.850 1.00 0.00 C ATOM 1575 C ALA A 100 80.777 -3.582 -5.421 1.00 0.00 C ATOM 1576 O ALA A 100 81.646 -4.322 -5.885 1.00 0.00 O ATOM 1577 CB ALA A 100 81.466 -1.250 -4.873 1.00 0.00 C ATOM 0 H ALA A 100 78.985 -1.161 -5.073 1.00 0.00 H new ATOM 0 HA ALA A 100 81.101 -2.015 -6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.509 -1.565 -4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.405 -0.209 -5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 100 81.044 -1.350 -3.873 1.00 0.00 H new ATOM 1583 N ILE A 101 79.860 -3.983 -4.547 1.00 0.00 N ATOM 1584 CA ILE A 101 79.818 -5.353 -4.068 1.00 0.00 C ATOM 1585 C ILE A 101 79.489 -6.291 -5.227 1.00 0.00 C ATOM 1586 O ILE A 101 80.005 -7.405 -5.309 1.00 0.00 O ATOM 1587 CB ILE A 101 78.754 -5.488 -2.971 1.00 0.00 C ATOM 1588 CG1 ILE A 101 79.341 -5.008 -1.636 1.00 0.00 C ATOM 1589 CG2 ILE A 101 78.321 -6.954 -2.846 1.00 0.00 C ATOM 1590 CD1 ILE A 101 78.225 -4.457 -0.746 1.00 0.00 C ATOM 0 H ILE A 101 79.138 -3.377 -4.158 1.00 0.00 H new ATOM 0 HA ILE A 101 80.791 -5.620 -3.655 1.00 0.00 H new ATOM 0 HB ILE A 101 77.886 -4.881 -3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 101 79.846 -5.833 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 101 80.090 -4.237 -1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 101 77.565 -7.045 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 101 77.905 -7.293 -3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 101 79.184 -7.568 -2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 101 78.648 -4.118 0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 101 77.740 -3.620 -1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 101 77.491 -5.240 -0.555 1.00 0.00 H new ATOM 1602 N GLU A 102 78.606 -5.829 -6.105 1.00 0.00 N ATOM 1603 CA GLU A 102 78.175 -6.614 -7.252 1.00 0.00 C ATOM 1604 C GLU A 102 79.019 -6.328 -8.497 1.00 0.00 C ATOM 1605 O GLU A 102 78.886 -7.024 -9.502 1.00 0.00 O ATOM 1606 CB GLU A 102 76.705 -6.309 -7.549 1.00 0.00 C ATOM 1607 CG GLU A 102 76.021 -7.569 -8.079 1.00 0.00 C ATOM 1608 CD GLU A 102 75.683 -8.509 -6.924 1.00 0.00 C ATOM 1609 OE1 GLU A 102 74.655 -8.304 -6.300 1.00 0.00 O ATOM 1610 OE2 GLU A 102 76.458 -9.421 -6.681 1.00 0.00 O ATOM 0 H GLU A 102 78.173 -4.908 -6.042 1.00 0.00 H new ATOM 0 HA GLU A 102 78.304 -7.667 -7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.204 -5.963 -6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 102 76.630 -5.506 -8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 102 75.112 -7.300 -8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 102 76.674 -8.075 -8.790 1.00 0.00 H new ATOM 1617 N LEU A 103 79.861 -5.293 -8.449 1.00 0.00 N ATOM 1618 CA LEU A 103 80.678 -4.944 -9.617 1.00 0.00 C ATOM 1619 C LEU A 103 82.012 -5.696 -9.633 1.00 0.00 C ATOM 1620 O LEU A 103 82.202 -6.616 -10.428 1.00 0.00 O ATOM 1621 CB LEU A 103 80.959 -3.432 -9.616 1.00 0.00 C ATOM 1622 CG LEU A 103 80.146 -2.721 -10.711 1.00 0.00 C ATOM 1623 CD1 LEU A 103 80.856 -2.872 -12.060 1.00 0.00 C ATOM 1624 CD2 LEU A 103 78.735 -3.319 -10.809 1.00 0.00 C ATOM 0 H LEU A 103 79.995 -4.693 -7.635 1.00 0.00 H new ATOM 0 HA LEU A 103 80.116 -5.231 -10.506 1.00 0.00 H new ATOM 0 HB2 LEU A 103 80.709 -3.012 -8.642 1.00 0.00 H new ATOM 0 HB3 LEU A 103 82.023 -3.256 -9.775 1.00 0.00 H new ATOM 0 HG LEU A 103 80.065 -1.665 -10.453 1.00 0.00 H new ATOM 0 HD11 LEU A 103 80.278 -2.367 -12.834 1.00 0.00 H new ATOM 0 HD12 LEU A 103 81.849 -2.427 -12.000 1.00 0.00 H new ATOM 0 HD13 LEU A 103 80.947 -3.930 -12.307 1.00 0.00 H new ATOM 0 HD21 LEU A 103 78.175 -2.803 -11.589 1.00 0.00 H new ATOM 0 HD22 LEU A 103 78.805 -4.379 -11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 103 78.222 -3.200 -9.855 1.00 0.00 H new ATOM 1636 N SER A 104 82.937 -5.281 -8.769 1.00 0.00 N ATOM 1637 CA SER A 104 84.262 -5.901 -8.709 1.00 0.00 C ATOM 1638 C SER A 104 84.376 -6.895 -7.560 1.00 0.00 C ATOM 1639 O SER A 104 85.354 -7.638 -7.468 1.00 0.00 O ATOM 1640 CB SER A 104 85.327 -4.816 -8.546 1.00 0.00 C ATOM 1641 OG SER A 104 85.210 -3.881 -9.611 1.00 0.00 O ATOM 0 H SER A 104 82.796 -4.521 -8.103 1.00 0.00 H new ATOM 0 HA SER A 104 84.414 -6.447 -9.640 1.00 0.00 H new ATOM 0 HB2 SER A 104 85.205 -4.311 -7.588 1.00 0.00 H new ATOM 0 HB3 SER A 104 86.321 -5.263 -8.546 1.00 0.00 H new ATOM 0 HG SER A 104 85.890 -3.183 -9.509 1.00 0.00 H new ATOM 1647 N LEU A 105 83.393 -6.884 -6.671 1.00 0.00 N ATOM 1648 CA LEU A 105 83.407 -7.765 -5.510 1.00 0.00 C ATOM 1649 C LEU A 105 82.706 -9.089 -5.798 1.00 0.00 C ATOM 1650 O LEU A 105 83.164 -10.143 -5.356 1.00 0.00 O ATOM 1651 CB LEU A 105 82.712 -7.051 -4.355 1.00 0.00 C ATOM 1652 CG LEU A 105 83.752 -6.441 -3.410 1.00 0.00 C ATOM 1653 CD1 LEU A 105 84.730 -5.563 -4.200 1.00 0.00 C ATOM 1654 CD2 LEU A 105 83.035 -5.585 -2.367 1.00 0.00 C ATOM 0 H LEU A 105 82.576 -6.276 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 105 84.442 -7.994 -5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 105 82.058 -6.269 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.082 -7.753 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 105 84.308 -7.241 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 105 85.465 -5.134 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 105 85.239 -6.169 -4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 105 84.181 -4.761 -4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 105 83.768 -5.147 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 105 82.482 -4.790 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 105 82.343 -6.207 -1.799 1.00 0.00 H new