USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=20 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 77 HIS : no HD1:sc= 1.02 K(o=2.4,f=-2.3) USER MOD Set 1.2: A 104 SER OG : rot -147:sc= 1.34 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 34 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.23) USER MOD Set 3.1: A 16 THR OG1 : rot 139:sc= 0.915 USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc= 1.07 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 151:sc= -0.0862 (180deg=-0.624) USER MOD Single : A 20 LYS NZ :NH3+ -109:sc= 0.249 (180deg=-0.578) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -78:sc= 1.54 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -116:sc= -0.872 (180deg=-2.56!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.33) USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= 0.38 (180deg=0.239) USER MOD Single : A 49 GLN : amide:sc= -0.0364 X(o=-0.036,f=-0.12) USER MOD Single : A 50 GLN : amide:sc= -8.73! C(o=-8.7!,f=-15!) USER MOD Single : A 57 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0301) USER MOD Single : A 58 GLN : amide:sc= -0.628 K(o=-0.63,f=-5.7!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -27:sc= 0.321 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 71 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.2) USER MOD Single : A 74 SER OG : rot -82:sc= -0.104 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -117:sc= -0.163 (180deg=-0.349) USER MOD ----------------------------------------------------------------- ATOM 164 N GLN A 11 103.986 -1.424 -0.902 1.00 0.00 N ATOM 165 CA GLN A 11 102.918 -0.498 -1.244 1.00 0.00 C ATOM 166 C GLN A 11 101.748 -1.235 -1.887 1.00 0.00 C ATOM 167 O GLN A 11 101.899 -1.851 -2.942 1.00 0.00 O ATOM 168 CB GLN A 11 103.453 0.578 -2.192 1.00 0.00 C ATOM 169 CG GLN A 11 104.061 -0.075 -3.440 1.00 0.00 C ATOM 170 CD GLN A 11 105.233 0.760 -3.942 1.00 0.00 C ATOM 171 OE1 GLN A 11 106.376 0.301 -3.930 1.00 0.00 O ATOM 172 NE2 GLN A 11 105.018 1.968 -4.387 1.00 0.00 N ATOM 0 HA GLN A 11 102.559 -0.025 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 11 102.647 1.253 -2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 11 104.206 1.180 -1.684 1.00 0.00 H new ATOM 0 HG2 GLN A 11 104.397 -1.085 -3.206 1.00 0.00 H new ATOM 0 HG3 GLN A 11 103.305 -0.163 -4.220 1.00 0.00 H new ATOM 0 HE21 GLN A 11 104.071 2.347 -4.396 1.00 0.00 H new ATOM 0 HE22 GLN A 11 105.797 2.533 -4.725 1.00 0.00 H new ATOM 181 N ILE A 12 100.582 -1.168 -1.251 1.00 0.00 N ATOM 182 CA ILE A 12 99.401 -1.836 -1.785 1.00 0.00 C ATOM 183 C ILE A 12 98.785 -0.998 -2.900 1.00 0.00 C ATOM 184 O ILE A 12 99.313 0.056 -3.259 1.00 0.00 O ATOM 185 CB ILE A 12 98.368 -2.070 -0.672 1.00 0.00 C ATOM 186 CG1 ILE A 12 97.755 -0.731 -0.239 1.00 0.00 C ATOM 187 CG2 ILE A 12 99.050 -2.735 0.529 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.542 -0.986 0.660 1.00 0.00 C ATOM 0 H ILE A 12 100.431 -0.665 -0.377 1.00 0.00 H new ATOM 0 HA ILE A 12 99.702 -2.802 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 12 97.578 -2.720 -1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.496 -0.136 0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 12 97.456 -0.156 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.317 -2.901 1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 12 99.476 -3.691 0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 12 99.844 -2.087 0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 12 96.109 -0.034 0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 12 95.798 -1.564 0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 12 96.855 -1.543 1.543 1.00 0.00 H new ATOM 200 N PHE A 13 97.663 -1.466 -3.437 1.00 0.00 N ATOM 201 CA PHE A 13 96.979 -0.743 -4.501 1.00 0.00 C ATOM 202 C PHE A 13 95.525 -0.503 -4.124 1.00 0.00 C ATOM 203 O PHE A 13 94.853 -1.399 -3.618 1.00 0.00 O ATOM 204 CB PHE A 13 97.054 -1.529 -5.814 1.00 0.00 C ATOM 205 CG PHE A 13 98.448 -1.419 -6.387 1.00 0.00 C ATOM 206 CD1 PHE A 13 99.479 -2.225 -5.887 1.00 0.00 C ATOM 207 CD2 PHE A 13 98.710 -0.511 -7.419 1.00 0.00 C ATOM 208 CE1 PHE A 13 100.769 -2.122 -6.419 1.00 0.00 C ATOM 209 CE2 PHE A 13 100.000 -0.407 -7.951 1.00 0.00 C ATOM 210 CZ PHE A 13 101.030 -1.213 -7.452 1.00 0.00 C ATOM 0 H PHE A 13 97.211 -2.336 -3.155 1.00 0.00 H new ATOM 0 HA PHE A 13 97.473 0.219 -4.638 1.00 0.00 H new ATOM 0 HB2 PHE A 13 96.802 -2.575 -5.639 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.325 -1.140 -6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 13 99.278 -2.926 -5.091 1.00 0.00 H new ATOM 0 HD2 PHE A 13 97.916 0.110 -7.805 1.00 0.00 H new ATOM 0 HE1 PHE A 13 101.563 -2.743 -6.033 1.00 0.00 H new ATOM 0 HE2 PHE A 13 100.201 0.295 -8.747 1.00 0.00 H new ATOM 0 HZ PHE A 13 102.025 -1.134 -7.863 1.00 0.00 H new ATOM 220 N ALA A 14 95.051 0.711 -4.377 1.00 0.00 N ATOM 221 CA ALA A 14 93.673 1.070 -4.067 1.00 0.00 C ATOM 222 C ALA A 14 92.940 1.462 -5.340 1.00 0.00 C ATOM 223 O ALA A 14 93.485 2.174 -6.183 1.00 0.00 O ATOM 224 CB ALA A 14 93.642 2.236 -3.078 1.00 0.00 C ATOM 0 H ALA A 14 95.600 1.462 -4.795 1.00 0.00 H new ATOM 0 HA ALA A 14 93.179 0.208 -3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.607 2.496 -2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 14 94.151 1.947 -2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 14 94.146 3.098 -3.516 1.00 0.00 H new ATOM 230 N LYS A 15 91.704 0.996 -5.474 1.00 0.00 N ATOM 231 CA LYS A 15 90.910 1.309 -6.653 1.00 0.00 C ATOM 232 C LYS A 15 89.555 1.878 -6.258 1.00 0.00 C ATOM 233 O LYS A 15 88.734 1.193 -5.646 1.00 0.00 O ATOM 234 CB LYS A 15 90.711 0.061 -7.513 1.00 0.00 C ATOM 235 CG LYS A 15 90.275 0.483 -8.922 1.00 0.00 C ATOM 236 CD LYS A 15 91.197 -0.157 -9.967 1.00 0.00 C ATOM 237 CE LYS A 15 90.653 -1.532 -10.363 1.00 0.00 C ATOM 238 NZ LYS A 15 89.393 -1.362 -11.141 1.00 0.00 N ATOM 0 H LYS A 15 91.234 0.406 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 15 91.451 2.058 -7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 15 91.637 -0.512 -7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 15 89.958 -0.587 -7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.243 0.179 -9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.307 1.569 -9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.266 0.484 -10.846 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.205 -0.256 -9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 15 91.391 -2.069 -10.958 1.00 0.00 H new ATOM 0 HE3 LYS A 15 90.465 -2.131 -9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 89.284 -2.157 -11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 88.583 -1.340 -10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 89.432 -0.470 -11.675 1.00 0.00 H new ATOM 252 N THR A 16 89.327 3.137 -6.620 1.00 0.00 N ATOM 253 CA THR A 16 88.066 3.796 -6.311 1.00 0.00 C ATOM 254 C THR A 16 86.933 3.167 -7.115 1.00 0.00 C ATOM 255 O THR A 16 87.178 2.406 -8.054 1.00 0.00 O ATOM 256 CB THR A 16 88.161 5.287 -6.640 1.00 0.00 C ATOM 257 OG1 THR A 16 88.447 5.446 -8.022 1.00 0.00 O ATOM 258 CG2 THR A 16 89.273 5.932 -5.808 1.00 0.00 C ATOM 0 H THR A 16 89.997 3.718 -7.125 1.00 0.00 H new ATOM 0 HA THR A 16 87.860 3.674 -5.248 1.00 0.00 H new ATOM 0 HB THR A 16 87.213 5.771 -6.405 1.00 0.00 H new ATOM 0 HG1 THR A 16 87.915 6.185 -8.383 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.336 6.994 -6.046 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.051 5.811 -4.748 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.224 5.451 -6.037 1.00 0.00 H new ATOM 266 N LEU A 17 85.696 3.489 -6.751 1.00 0.00 N ATOM 267 CA LEU A 17 84.541 2.945 -7.456 1.00 0.00 C ATOM 268 C LEU A 17 84.495 3.477 -8.887 1.00 0.00 C ATOM 269 O LEU A 17 83.809 2.919 -9.745 1.00 0.00 O ATOM 270 CB LEU A 17 83.249 3.313 -6.716 1.00 0.00 C ATOM 271 CG LEU A 17 82.080 2.449 -7.217 1.00 0.00 C ATOM 272 CD1 LEU A 17 82.490 0.974 -7.261 1.00 0.00 C ATOM 273 CD2 LEU A 17 80.890 2.606 -6.270 1.00 0.00 C ATOM 0 H LEU A 17 85.469 4.117 -5.980 1.00 0.00 H new ATOM 0 HA LEU A 17 84.632 1.859 -7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.383 3.169 -5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.022 4.368 -6.870 1.00 0.00 H new ATOM 0 HG LEU A 17 81.807 2.776 -8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 17 81.653 0.374 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 17 83.337 0.852 -7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 17 82.772 0.645 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 17 80.060 1.994 -6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 17 81.177 2.285 -5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 17 80.583 3.652 -6.241 1.00 0.00 H new ATOM 285 N THR A 18 85.238 4.554 -9.137 1.00 0.00 N ATOM 286 CA THR A 18 85.287 5.152 -10.468 1.00 0.00 C ATOM 287 C THR A 18 86.338 4.451 -11.328 1.00 0.00 C ATOM 288 O THR A 18 86.295 4.523 -12.557 1.00 0.00 O ATOM 289 CB THR A 18 85.615 6.644 -10.361 1.00 0.00 C ATOM 290 OG1 THR A 18 86.710 6.825 -9.474 1.00 0.00 O ATOM 291 CG2 THR A 18 84.395 7.401 -9.831 1.00 0.00 C ATOM 0 H THR A 18 85.811 5.028 -8.439 1.00 0.00 H new ATOM 0 HA THR A 18 84.311 5.033 -10.939 1.00 0.00 H new ATOM 0 HB THR A 18 85.878 7.029 -11.346 1.00 0.00 H new ATOM 0 HG1 THR A 18 86.922 7.779 -9.406 1.00 0.00 H new ATOM 0 HG21 THR A 18 84.630 8.463 -9.755 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.556 7.263 -10.513 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.128 7.017 -8.846 1.00 0.00 H new ATOM 299 N GLY A 19 87.273 3.762 -10.672 1.00 0.00 N ATOM 300 CA GLY A 19 88.323 3.035 -11.381 1.00 0.00 C ATOM 301 C GLY A 19 89.650 3.793 -11.372 1.00 0.00 C ATOM 302 O GLY A 19 90.330 3.873 -12.395 1.00 0.00 O ATOM 0 H GLY A 19 87.323 3.693 -9.656 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.461 2.057 -10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 19 88.012 2.861 -12.411 1.00 0.00 H new ATOM 306 N LYS A 20 90.020 4.330 -10.211 1.00 0.00 N ATOM 307 CA LYS A 20 91.280 5.061 -10.081 1.00 0.00 C ATOM 308 C LYS A 20 92.301 4.206 -9.335 1.00 0.00 C ATOM 309 O LYS A 20 92.117 3.901 -8.157 1.00 0.00 O ATOM 310 CB LYS A 20 91.056 6.377 -9.323 1.00 0.00 C ATOM 311 CG LYS A 20 92.393 7.108 -9.132 1.00 0.00 C ATOM 312 CD LYS A 20 92.925 7.584 -10.487 1.00 0.00 C ATOM 313 CE LYS A 20 94.154 8.473 -10.276 1.00 0.00 C ATOM 314 NZ LYS A 20 95.239 7.677 -9.635 1.00 0.00 N ATOM 0 H LYS A 20 89.471 4.274 -9.353 1.00 0.00 H new ATOM 0 HA LYS A 20 91.658 5.287 -11.078 1.00 0.00 H new ATOM 0 HB2 LYS A 20 90.362 7.010 -9.875 1.00 0.00 H new ATOM 0 HB3 LYS A 20 90.601 6.175 -8.353 1.00 0.00 H new ATOM 0 HG2 LYS A 20 92.260 7.959 -8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 20 93.117 6.443 -8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 20 93.187 6.727 -11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 20 92.151 8.138 -11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 20 94.496 8.871 -11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 20 93.895 9.326 -9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 95.363 7.989 -8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 94.984 6.669 -9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 96.127 7.817 -10.157 1.00 0.00 H new ATOM 328 N THR A 21 93.380 3.833 -10.020 1.00 0.00 N ATOM 329 CA THR A 21 94.424 3.021 -9.399 1.00 0.00 C ATOM 330 C THR A 21 95.377 3.912 -8.612 1.00 0.00 C ATOM 331 O THR A 21 95.954 4.853 -9.160 1.00 0.00 O ATOM 332 CB THR A 21 95.202 2.245 -10.468 1.00 0.00 C ATOM 333 OG1 THR A 21 94.320 1.874 -11.518 1.00 0.00 O ATOM 334 CG2 THR A 21 95.818 0.988 -9.847 1.00 0.00 C ATOM 0 H THR A 21 93.554 4.077 -10.995 1.00 0.00 H new ATOM 0 HA THR A 21 93.955 2.310 -8.720 1.00 0.00 H new ATOM 0 HB THR A 21 95.997 2.875 -10.866 1.00 0.00 H new ATOM 0 HG1 THR A 21 94.817 1.379 -12.203 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.370 0.439 -10.609 1.00 0.00 H new ATOM 0 HG22 THR A 21 96.496 1.274 -9.043 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.026 0.355 -9.446 1.00 0.00 H new ATOM 342 N ILE A 22 95.527 3.619 -7.325 1.00 0.00 N ATOM 343 CA ILE A 22 96.403 4.410 -6.465 1.00 0.00 C ATOM 344 C ILE A 22 97.324 3.505 -5.651 1.00 0.00 C ATOM 345 O ILE A 22 96.866 2.577 -4.983 1.00 0.00 O ATOM 346 CB ILE A 22 95.556 5.272 -5.521 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.569 6.112 -6.346 1.00 0.00 C ATOM 348 CG2 ILE A 22 96.467 6.201 -4.710 1.00 0.00 C ATOM 349 CD1 ILE A 22 93.426 6.590 -5.450 1.00 0.00 C ATOM 0 H ILE A 22 95.057 2.845 -6.855 1.00 0.00 H new ATOM 0 HA ILE A 22 97.019 5.053 -7.094 1.00 0.00 H new ATOM 0 HB ILE A 22 95.004 4.626 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 22 95.083 6.968 -6.785 1.00 0.00 H new ATOM 0 HG13 ILE A 22 94.174 5.520 -7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.861 6.812 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 22 97.166 5.604 -4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 22 97.023 6.848 -5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.728 7.186 -6.038 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.906 5.728 -5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.829 7.198 -4.640 1.00 0.00 H new ATOM 361 N THR A 23 98.622 3.791 -5.708 1.00 0.00 N ATOM 362 CA THR A 23 99.611 3.007 -4.971 1.00 0.00 C ATOM 363 C THR A 23 100.060 3.763 -3.723 1.00 0.00 C ATOM 364 O THR A 23 100.460 4.926 -3.805 1.00 0.00 O ATOM 365 CB THR A 23 100.822 2.719 -5.867 1.00 0.00 C ATOM 366 OG1 THR A 23 100.379 2.478 -7.196 1.00 0.00 O ATOM 367 CG2 THR A 23 101.567 1.489 -5.346 1.00 0.00 C ATOM 0 H THR A 23 99.014 4.558 -6.255 1.00 0.00 H new ATOM 0 HA THR A 23 99.156 2.064 -4.668 1.00 0.00 H new ATOM 0 HB THR A 23 101.493 3.578 -5.856 1.00 0.00 H new ATOM 0 HG1 THR A 23 100.017 1.570 -7.260 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.427 1.287 -5.985 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.907 1.674 -4.327 1.00 0.00 H new ATOM 0 HG23 THR A 23 100.899 0.628 -5.354 1.00 0.00 H new ATOM 375 N LEU A 24 99.983 3.101 -2.569 1.00 0.00 N ATOM 376 CA LEU A 24 100.377 3.731 -1.308 1.00 0.00 C ATOM 377 C LEU A 24 101.287 2.811 -0.498 1.00 0.00 C ATOM 378 O LEU A 24 101.026 1.614 -0.377 1.00 0.00 O ATOM 379 CB LEU A 24 99.138 4.089 -0.470 1.00 0.00 C ATOM 380 CG LEU A 24 97.854 3.893 -1.288 1.00 0.00 C ATOM 381 CD1 LEU A 24 97.449 2.416 -1.275 1.00 0.00 C ATOM 382 CD2 LEU A 24 96.727 4.734 -0.678 1.00 0.00 C ATOM 0 H LEU A 24 99.655 2.139 -2.480 1.00 0.00 H new ATOM 0 HA LEU A 24 100.922 4.643 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 24 99.105 3.465 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 24 99.207 5.124 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 24 98.033 4.208 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 24 96.537 2.284 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 24 98.248 1.816 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 24 97.273 2.096 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 24 95.815 4.595 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.554 4.419 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 24 97.010 5.787 -0.692 1.00 0.00 H new ATOM 394 N GLU A 25 102.348 3.391 0.066 1.00 0.00 N ATOM 395 CA GLU A 25 103.296 2.633 0.880 1.00 0.00 C ATOM 396 C GLU A 25 102.718 2.389 2.272 1.00 0.00 C ATOM 397 O GLU A 25 102.773 3.263 3.139 1.00 0.00 O ATOM 398 CB GLU A 25 104.616 3.402 1.000 1.00 0.00 C ATOM 399 CG GLU A 25 105.418 3.270 -0.299 1.00 0.00 C ATOM 400 CD GLU A 25 106.523 2.228 -0.130 1.00 0.00 C ATOM 401 OE1 GLU A 25 106.198 1.055 -0.033 1.00 0.00 O ATOM 402 OE2 GLU A 25 107.680 2.618 -0.101 1.00 0.00 O ATOM 0 H GLU A 25 102.571 4.382 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 25 103.481 1.673 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 25 104.417 4.453 1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 25 105.197 3.015 1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 25 104.757 2.981 -1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 25 105.853 4.233 -0.566 1.00 0.00 H new ATOM 409 N VAL A 26 102.145 1.205 2.470 1.00 0.00 N ATOM 410 CA VAL A 26 101.537 0.861 3.754 1.00 0.00 C ATOM 411 C VAL A 26 102.006 -0.507 4.244 1.00 0.00 C ATOM 412 O VAL A 26 102.886 -1.128 3.646 1.00 0.00 O ATOM 413 CB VAL A 26 100.012 0.855 3.615 1.00 0.00 C ATOM 414 CG1 VAL A 26 99.545 2.183 3.010 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.590 -0.299 2.699 1.00 0.00 C ATOM 0 H VAL A 26 102.088 0.471 1.764 1.00 0.00 H new ATOM 0 HA VAL A 26 101.844 1.610 4.484 1.00 0.00 H new ATOM 0 HB VAL A 26 99.559 0.727 4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 26 98.459 2.176 2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.846 3.005 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.997 2.314 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.505 -0.305 2.598 1.00 0.00 H new ATOM 0 HG22 VAL A 26 100.045 -0.169 1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 26 99.920 -1.244 3.129 1.00 0.00 H new ATOM 425 N GLU A 27 101.394 -0.971 5.332 1.00 0.00 N ATOM 426 CA GLU A 27 101.730 -2.271 5.905 1.00 0.00 C ATOM 427 C GLU A 27 100.623 -3.275 5.608 1.00 0.00 C ATOM 428 O GLU A 27 99.480 -2.894 5.362 1.00 0.00 O ATOM 429 CB GLU A 27 101.914 -2.149 7.422 1.00 0.00 C ATOM 430 CG GLU A 27 103.321 -1.628 7.731 1.00 0.00 C ATOM 431 CD GLU A 27 104.302 -2.796 7.826 1.00 0.00 C ATOM 432 OE1 GLU A 27 104.740 -3.263 6.786 1.00 0.00 O ATOM 433 OE2 GLU A 27 104.597 -3.208 8.936 1.00 0.00 O ATOM 0 H GLU A 27 100.663 -0.466 5.833 1.00 0.00 H new ATOM 0 HA GLU A 27 102.661 -2.617 5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.166 -1.472 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 27 101.763 -3.119 7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 27 103.641 -0.936 6.952 1.00 0.00 H new ATOM 0 HG3 GLU A 27 103.314 -1.071 8.668 1.00 0.00 H new ATOM 440 N SER A 28 100.968 -4.557 5.632 1.00 0.00 N ATOM 441 CA SER A 28 99.994 -5.608 5.363 1.00 0.00 C ATOM 442 C SER A 28 98.928 -5.660 6.455 1.00 0.00 C ATOM 443 O SER A 28 97.918 -6.345 6.306 1.00 0.00 O ATOM 444 CB SER A 28 100.703 -6.962 5.276 1.00 0.00 C ATOM 445 OG SER A 28 101.371 -7.222 6.504 1.00 0.00 O ATOM 0 H SER A 28 101.910 -4.893 5.834 1.00 0.00 H new ATOM 0 HA SER A 28 99.506 -5.385 4.414 1.00 0.00 H new ATOM 0 HB2 SER A 28 99.981 -7.751 5.068 1.00 0.00 H new ATOM 0 HB3 SER A 28 101.418 -6.959 4.453 1.00 0.00 H new ATOM 0 HG SER A 28 101.825 -8.089 6.452 1.00 0.00 H new ATOM 451 N SER A 29 99.179 -4.966 7.565 1.00 0.00 N ATOM 452 CA SER A 29 98.254 -4.969 8.697 1.00 0.00 C ATOM 453 C SER A 29 97.772 -3.561 9.048 1.00 0.00 C ATOM 454 O SER A 29 96.982 -3.391 9.979 1.00 0.00 O ATOM 455 CB SER A 29 98.952 -5.578 9.913 1.00 0.00 C ATOM 456 OG SER A 29 100.063 -4.766 10.272 1.00 0.00 O ATOM 0 H SER A 29 100.013 -4.396 7.704 1.00 0.00 H new ATOM 0 HA SER A 29 97.382 -5.560 8.415 1.00 0.00 H new ATOM 0 HB2 SER A 29 98.255 -5.651 10.748 1.00 0.00 H new ATOM 0 HB3 SER A 29 99.285 -6.591 9.686 1.00 0.00 H new ATOM 0 HG SER A 29 100.512 -5.153 11.053 1.00 0.00 H new ATOM 462 N ASP A 30 98.239 -2.555 8.311 1.00 0.00 N ATOM 463 CA ASP A 30 97.830 -1.175 8.576 1.00 0.00 C ATOM 464 C ASP A 30 96.308 -1.079 8.673 1.00 0.00 C ATOM 465 O ASP A 30 95.598 -1.496 7.757 1.00 0.00 O ATOM 466 CB ASP A 30 98.332 -0.254 7.457 1.00 0.00 C ATOM 467 CG ASP A 30 99.279 0.803 8.024 1.00 0.00 C ATOM 468 OD1 ASP A 30 98.852 1.553 8.885 1.00 0.00 O ATOM 469 OD2 ASP A 30 100.417 0.847 7.586 1.00 0.00 O ATOM 0 H ASP A 30 98.892 -2.665 7.535 1.00 0.00 H new ATOM 0 HA ASP A 30 98.266 -0.862 9.525 1.00 0.00 H new ATOM 0 HB2 ASP A 30 98.846 -0.842 6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.486 0.230 6.969 1.00 0.00 H new ATOM 474 N THR A 31 95.808 -0.546 9.789 1.00 0.00 N ATOM 475 CA THR A 31 94.363 -0.419 9.984 1.00 0.00 C ATOM 476 C THR A 31 93.723 0.324 8.816 1.00 0.00 C ATOM 477 O THR A 31 94.393 1.079 8.108 1.00 0.00 O ATOM 478 CB THR A 31 94.059 0.328 11.289 1.00 0.00 C ATOM 479 OG1 THR A 31 94.331 1.713 11.117 1.00 0.00 O ATOM 480 CG2 THR A 31 94.921 -0.226 12.426 1.00 0.00 C ATOM 0 H THR A 31 96.374 -0.199 10.563 1.00 0.00 H new ATOM 0 HA THR A 31 93.945 -1.424 10.039 1.00 0.00 H new ATOM 0 HB THR A 31 93.008 0.190 11.541 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.135 2.191 11.950 1.00 0.00 H new ATOM 0 HG21 THR A 31 94.697 0.311 13.347 1.00 0.00 H new ATOM 0 HG22 THR A 31 94.706 -1.286 12.563 1.00 0.00 H new ATOM 0 HG23 THR A 31 95.975 -0.099 12.179 1.00 0.00 H new ATOM 488 N ILE A 32 92.424 0.112 8.624 1.00 0.00 N ATOM 489 CA ILE A 32 91.706 0.776 7.541 1.00 0.00 C ATOM 490 C ILE A 32 91.902 2.287 7.639 1.00 0.00 C ATOM 491 O ILE A 32 92.118 2.953 6.629 1.00 0.00 O ATOM 492 CB ILE A 32 90.214 0.423 7.598 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.022 -1.063 7.256 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.433 1.282 6.598 1.00 0.00 C ATOM 495 CD1 ILE A 32 90.558 -1.354 5.849 1.00 0.00 C ATOM 0 H ILE A 32 91.852 -0.508 9.198 1.00 0.00 H new ATOM 0 HA ILE A 32 92.104 0.431 6.587 1.00 0.00 H new ATOM 0 HB ILE A 32 89.842 0.617 8.604 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.542 -1.682 7.987 1.00 0.00 H new ATOM 0 HG13 ILE A 32 88.965 -1.323 7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.375 1.024 6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 32 89.561 2.336 6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 32 89.806 1.098 5.591 1.00 0.00 H new ATOM 0 HD11 ILE A 32 90.417 -2.410 5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.019 -0.747 5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 32 91.620 -1.112 5.807 1.00 0.00 H new ATOM 507 N ASP A 33 91.831 2.821 8.858 1.00 0.00 N ATOM 508 CA ASP A 33 92.015 4.256 9.062 1.00 0.00 C ATOM 509 C ASP A 33 93.264 4.738 8.329 1.00 0.00 C ATOM 510 O ASP A 33 93.225 5.733 7.606 1.00 0.00 O ATOM 511 CB ASP A 33 92.144 4.562 10.558 1.00 0.00 C ATOM 512 CG ASP A 33 91.536 5.927 10.862 1.00 0.00 C ATOM 513 OD1 ASP A 33 92.229 6.916 10.681 1.00 0.00 O ATOM 514 OD2 ASP A 33 90.386 5.966 11.267 1.00 0.00 O ATOM 0 H ASP A 33 91.650 2.289 9.709 1.00 0.00 H new ATOM 0 HA ASP A 33 91.146 4.778 8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 33 91.639 3.791 11.141 1.00 0.00 H new ATOM 0 HB3 ASP A 33 93.194 4.548 10.852 1.00 0.00 H new ATOM 519 N ASN A 34 94.367 4.010 8.508 1.00 0.00 N ATOM 520 CA ASN A 34 95.620 4.359 7.845 1.00 0.00 C ATOM 521 C ASN A 34 95.459 4.226 6.334 1.00 0.00 C ATOM 522 O ASN A 34 95.993 5.027 5.571 1.00 0.00 O ATOM 523 CB ASN A 34 96.746 3.439 8.322 1.00 0.00 C ATOM 524 CG ASN A 34 97.406 4.019 9.569 1.00 0.00 C ATOM 525 OD1 ASN A 34 96.951 3.771 10.687 1.00 0.00 O ATOM 526 ND2 ASN A 34 98.461 4.777 9.444 1.00 0.00 N ATOM 0 H ASN A 34 94.417 3.182 9.102 1.00 0.00 H new ATOM 0 HA ASN A 34 95.873 5.389 8.095 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.348 2.448 8.540 1.00 0.00 H new ATOM 0 HB3 ASN A 34 97.487 3.319 7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 34 98.911 5.166 10.273 1.00 0.00 H new ATOM 0 HD22 ASN A 34 98.836 4.981 8.517 1.00 0.00 H new ATOM 533 N VAL A 35 94.701 3.214 5.922 1.00 0.00 N ATOM 534 CA VAL A 35 94.453 2.985 4.501 1.00 0.00 C ATOM 535 C VAL A 35 93.713 4.185 3.914 1.00 0.00 C ATOM 536 O VAL A 35 94.104 4.729 2.878 1.00 0.00 O ATOM 537 CB VAL A 35 93.628 1.707 4.296 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.379 1.488 2.800 1.00 0.00 C ATOM 539 CG2 VAL A 35 94.390 0.503 4.863 1.00 0.00 C ATOM 0 H VAL A 35 94.251 2.544 6.546 1.00 0.00 H new ATOM 0 HA VAL A 35 95.408 2.862 3.991 1.00 0.00 H new ATOM 0 HB VAL A 35 92.674 1.811 4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 35 92.793 0.580 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 35 92.833 2.339 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.333 1.389 2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 35 93.801 -0.402 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 35 95.346 0.402 4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 35 94.565 0.652 5.928 1.00 0.00 H new ATOM 549 N LYS A 36 92.648 4.601 4.598 1.00 0.00 N ATOM 550 CA LYS A 36 91.859 5.744 4.156 1.00 0.00 C ATOM 551 C LYS A 36 92.717 7.006 4.149 1.00 0.00 C ATOM 552 O LYS A 36 92.916 7.617 3.104 1.00 0.00 O ATOM 553 CB LYS A 36 90.654 5.937 5.083 1.00 0.00 C ATOM 554 CG LYS A 36 89.671 4.777 4.893 1.00 0.00 C ATOM 555 CD LYS A 36 88.405 5.024 5.721 1.00 0.00 C ATOM 556 CE LYS A 36 88.745 5.005 7.214 1.00 0.00 C ATOM 557 NZ LYS A 36 89.103 6.381 7.662 1.00 0.00 N ATOM 0 H LYS A 36 92.315 4.164 5.457 1.00 0.00 H new ATOM 0 HA LYS A 36 91.503 5.555 3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 36 90.984 5.982 6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.161 6.884 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 36 89.413 4.677 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.138 3.840 5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 36 87.966 5.985 5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 36 87.660 4.260 5.499 1.00 0.00 H new ATOM 0 HE2 LYS A 36 87.894 4.635 7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 36 89.575 4.323 7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 90.096 6.398 7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 88.974 7.047 6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 88.489 6.659 8.454 1.00 0.00 H new ATOM 571 N SER A 37 93.220 7.392 5.321 1.00 0.00 N ATOM 572 CA SER A 37 94.057 8.586 5.425 1.00 0.00 C ATOM 573 C SER A 37 95.139 8.567 4.352 1.00 0.00 C ATOM 574 O SER A 37 95.304 9.532 3.604 1.00 0.00 O ATOM 575 CB SER A 37 94.701 8.658 6.810 1.00 0.00 C ATOM 576 OG SER A 37 95.356 9.912 6.959 1.00 0.00 O ATOM 0 H SER A 37 93.065 6.902 6.202 1.00 0.00 H new ATOM 0 HA SER A 37 93.429 9.465 5.278 1.00 0.00 H new ATOM 0 HB2 SER A 37 93.942 8.537 7.583 1.00 0.00 H new ATOM 0 HB3 SER A 37 95.416 7.844 6.934 1.00 0.00 H new ATOM 0 HG SER A 37 95.769 9.962 7.846 1.00 0.00 H new ATOM 582 N LYS A 38 95.866 7.457 4.273 1.00 0.00 N ATOM 583 CA LYS A 38 96.920 7.319 3.275 1.00 0.00 C ATOM 584 C LYS A 38 96.384 7.717 1.902 1.00 0.00 C ATOM 585 O LYS A 38 97.108 8.281 1.081 1.00 0.00 O ATOM 586 CB LYS A 38 97.432 5.875 3.241 1.00 0.00 C ATOM 587 CG LYS A 38 98.588 5.755 2.243 1.00 0.00 C ATOM 588 CD LYS A 38 99.813 6.512 2.767 1.00 0.00 C ATOM 589 CE LYS A 38 101.077 5.974 2.093 1.00 0.00 C ATOM 590 NZ LYS A 38 102.268 6.696 2.624 1.00 0.00 N ATOM 0 H LYS A 38 95.746 6.647 4.882 1.00 0.00 H new ATOM 0 HA LYS A 38 97.748 7.976 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 38 97.765 5.575 4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 38 96.624 5.200 2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 38 98.838 4.705 2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 38 98.288 6.158 1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 38 99.707 7.578 2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 38 99.889 6.397 3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 38 101.174 4.904 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 38 101.010 6.105 1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 103.128 6.331 2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 102.175 7.713 2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 102.334 6.549 3.651 1.00 0.00 H new ATOM 604 N ILE A 39 95.102 7.431 1.667 1.00 0.00 N ATOM 605 CA ILE A 39 94.473 7.777 0.397 1.00 0.00 C ATOM 606 C ILE A 39 94.354 9.297 0.258 1.00 0.00 C ATOM 607 O ILE A 39 94.610 9.843 -0.813 1.00 0.00 O ATOM 608 CB ILE A 39 93.088 7.105 0.286 1.00 0.00 C ATOM 609 CG1 ILE A 39 92.970 6.401 -1.073 1.00 0.00 C ATOM 610 CG2 ILE A 39 91.960 8.141 0.416 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.085 7.424 -2.209 1.00 0.00 C ATOM 0 H ILE A 39 94.487 6.965 2.334 1.00 0.00 H new ATOM 0 HA ILE A 39 95.098 7.409 -0.417 1.00 0.00 H new ATOM 0 HB ILE A 39 92.992 6.382 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 39 93.753 5.648 -1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.016 5.879 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 39 90.995 7.641 0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.031 8.636 1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.053 8.882 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 39 93.000 6.914 -3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.287 8.160 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 39 94.050 7.926 -2.150 1.00 0.00 H new ATOM 623 N GLN A 40 93.963 9.978 1.343 1.00 0.00 N ATOM 624 CA GLN A 40 93.820 11.432 1.304 1.00 0.00 C ATOM 625 C GLN A 40 95.142 12.092 0.923 1.00 0.00 C ATOM 626 O GLN A 40 95.158 13.172 0.344 1.00 0.00 O ATOM 627 CB GLN A 40 93.323 11.962 2.658 1.00 0.00 C ATOM 628 CG GLN A 40 94.500 12.263 3.598 1.00 0.00 C ATOM 629 CD GLN A 40 94.822 13.753 3.573 1.00 0.00 C ATOM 630 OE1 GLN A 40 94.023 14.570 4.030 1.00 0.00 O ATOM 631 NE2 GLN A 40 95.953 14.158 3.062 1.00 0.00 N ATOM 0 H GLN A 40 93.744 9.551 2.243 1.00 0.00 H new ATOM 0 HA GLN A 40 93.080 11.683 0.544 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.735 12.867 2.505 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.663 11.228 3.120 1.00 0.00 H new ATOM 0 HG2 GLN A 40 94.253 11.953 4.613 1.00 0.00 H new ATOM 0 HG3 GLN A 40 95.375 11.689 3.293 1.00 0.00 H new ATOM 0 HE21 GLN A 40 96.614 13.479 2.684 1.00 0.00 H new ATOM 0 HE22 GLN A 40 96.176 15.153 3.041 1.00 0.00 H new ATOM 640 N ASP A 41 96.249 11.429 1.230 1.00 0.00 N ATOM 641 CA ASP A 41 97.556 11.969 0.879 1.00 0.00 C ATOM 642 C ASP A 41 97.740 11.872 -0.634 1.00 0.00 C ATOM 643 O ASP A 41 98.480 12.647 -1.240 1.00 0.00 O ATOM 644 CB ASP A 41 98.661 11.185 1.600 1.00 0.00 C ATOM 645 CG ASP A 41 100.008 11.412 0.919 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.646 12.405 1.227 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.381 10.590 0.097 1.00 0.00 O ATOM 0 H ASP A 41 96.270 10.531 1.713 1.00 0.00 H new ATOM 0 HA ASP A 41 97.618 13.012 1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.716 11.498 2.643 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.421 10.122 1.599 1.00 0.00 H new ATOM 652 N LYS A 42 97.058 10.891 -1.222 1.00 0.00 N ATOM 653 CA LYS A 42 97.138 10.653 -2.660 1.00 0.00 C ATOM 654 C LYS A 42 96.040 11.399 -3.429 1.00 0.00 C ATOM 655 O LYS A 42 96.287 11.890 -4.532 1.00 0.00 O ATOM 656 CB LYS A 42 97.026 9.151 -2.944 1.00 0.00 C ATOM 657 CG LYS A 42 98.110 8.394 -2.167 1.00 0.00 C ATOM 658 CD LYS A 42 99.389 8.307 -3.007 1.00 0.00 C ATOM 659 CE LYS A 42 100.546 7.825 -2.129 1.00 0.00 C ATOM 660 NZ LYS A 42 101.731 7.528 -2.983 1.00 0.00 N ATOM 0 H LYS A 42 96.443 10.248 -0.723 1.00 0.00 H new ATOM 0 HA LYS A 42 98.102 11.031 -3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 42 96.039 8.789 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 42 97.134 8.964 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 42 98.317 8.902 -1.225 1.00 0.00 H new ATOM 0 HG3 LYS A 42 97.759 7.392 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 42 99.242 7.622 -3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 42 99.624 9.282 -3.433 1.00 0.00 H new ATOM 0 HE2 LYS A 42 100.798 8.587 -1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 42 100.250 6.933 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 102.586 7.499 -2.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 101.601 6.607 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 101.834 8.270 -3.705 1.00 0.00 H new ATOM 674 N GLU A 43 94.826 11.459 -2.870 1.00 0.00 N ATOM 675 CA GLU A 43 93.711 12.125 -3.556 1.00 0.00 C ATOM 676 C GLU A 43 93.194 13.345 -2.787 1.00 0.00 C ATOM 677 O GLU A 43 92.210 13.961 -3.196 1.00 0.00 O ATOM 678 CB GLU A 43 92.560 11.134 -3.744 1.00 0.00 C ATOM 679 CG GLU A 43 92.967 10.058 -4.754 1.00 0.00 C ATOM 680 CD GLU A 43 91.727 9.334 -5.274 1.00 0.00 C ATOM 681 OE1 GLU A 43 91.003 8.780 -4.464 1.00 0.00 O ATOM 682 OE2 GLU A 43 91.521 9.343 -6.478 1.00 0.00 O ATOM 0 H GLU A 43 94.592 11.062 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 43 94.087 12.472 -4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 43 92.304 10.673 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 43 91.670 11.657 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 43 93.508 10.513 -5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 43 93.645 9.345 -4.285 1.00 0.00 H new ATOM 689 N GLY A 44 93.863 13.701 -1.696 1.00 0.00 N ATOM 690 CA GLY A 44 93.454 14.867 -0.906 1.00 0.00 C ATOM 691 C GLY A 44 92.157 14.613 -0.134 1.00 0.00 C ATOM 692 O GLY A 44 92.044 14.981 1.037 1.00 0.00 O ATOM 0 H GLY A 44 94.682 13.209 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 44 94.248 15.126 -0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 44 93.320 15.723 -1.567 1.00 0.00 H new ATOM 696 N ILE A 45 91.176 14.003 -0.802 1.00 0.00 N ATOM 697 CA ILE A 45 89.877 13.724 -0.184 1.00 0.00 C ATOM 698 C ILE A 45 90.039 13.161 1.234 1.00 0.00 C ATOM 699 O ILE A 45 90.781 12.205 1.448 1.00 0.00 O ATOM 700 CB ILE A 45 89.088 12.732 -1.046 1.00 0.00 C ATOM 701 CG1 ILE A 45 88.828 13.348 -2.426 1.00 0.00 C ATOM 702 CG2 ILE A 45 87.748 12.417 -0.373 1.00 0.00 C ATOM 703 CD1 ILE A 45 88.189 12.301 -3.342 1.00 0.00 C ATOM 0 H ILE A 45 91.256 13.693 -1.770 1.00 0.00 H new ATOM 0 HA ILE A 45 89.332 14.665 -0.116 1.00 0.00 H new ATOM 0 HB ILE A 45 89.665 11.814 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 45 88.172 14.213 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 45 89.763 13.703 -2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.189 11.712 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 45 87.928 11.979 0.609 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.172 13.336 -0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 45 88.004 12.740 -4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 45 88.862 11.450 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 45 87.245 11.967 -2.910 1.00 0.00 H new ATOM 715 N PRO A 46 89.359 13.747 2.194 1.00 0.00 N ATOM 716 CA PRO A 46 89.421 13.310 3.622 1.00 0.00 C ATOM 717 C PRO A 46 89.155 11.810 3.795 1.00 0.00 C ATOM 718 O PRO A 46 88.262 11.254 3.155 1.00 0.00 O ATOM 719 CB PRO A 46 88.320 14.114 4.331 1.00 0.00 C ATOM 720 CG PRO A 46 87.647 14.965 3.298 1.00 0.00 C ATOM 721 CD PRO A 46 88.468 14.899 2.012 1.00 0.00 C ATOM 0 HA PRO A 46 90.417 13.484 4.030 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.601 13.445 4.804 1.00 0.00 H new ATOM 0 HB3 PRO A 46 88.746 14.734 5.120 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.631 14.612 3.118 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.570 15.995 3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.827 14.769 1.140 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.035 15.817 1.857 1.00 0.00 H new ATOM 729 N PRO A 47 89.903 11.162 4.658 1.00 0.00 N ATOM 730 CA PRO A 47 89.739 9.704 4.938 1.00 0.00 C ATOM 731 C PRO A 47 88.304 9.344 5.330 1.00 0.00 C ATOM 732 O PRO A 47 87.829 8.246 5.042 1.00 0.00 O ATOM 733 CB PRO A 47 90.682 9.415 6.114 1.00 0.00 C ATOM 734 CG PRO A 47 91.345 10.704 6.492 1.00 0.00 C ATOM 735 CD PRO A 47 90.991 11.756 5.443 1.00 0.00 C ATOM 0 HA PRO A 47 89.966 9.116 4.049 1.00 0.00 H new ATOM 0 HB2 PRO A 47 90.126 9.008 6.959 1.00 0.00 H new ATOM 0 HB3 PRO A 47 91.426 8.670 5.833 1.00 0.00 H new ATOM 0 HG2 PRO A 47 91.012 11.026 7.479 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.426 10.572 6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.676 12.689 5.911 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.850 11.989 4.813 1.00 0.00 H new ATOM 743 N ASP A 48 87.630 10.270 6.009 1.00 0.00 N ATOM 744 CA ASP A 48 86.258 10.038 6.460 1.00 0.00 C ATOM 745 C ASP A 48 85.277 10.029 5.289 1.00 0.00 C ATOM 746 O ASP A 48 84.116 9.648 5.448 1.00 0.00 O ATOM 747 CB ASP A 48 85.851 11.126 7.458 1.00 0.00 C ATOM 748 CG ASP A 48 84.583 10.711 8.199 1.00 0.00 C ATOM 749 OD1 ASP A 48 84.683 9.876 9.083 1.00 0.00 O ATOM 750 OD2 ASP A 48 83.530 11.232 7.869 1.00 0.00 O ATOM 0 H ASP A 48 88.008 11.184 6.258 1.00 0.00 H new ATOM 0 HA ASP A 48 86.224 9.060 6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 48 86.658 11.297 8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 48 85.684 12.067 6.934 1.00 0.00 H new ATOM 755 N GLN A 49 85.743 10.451 4.119 1.00 0.00 N ATOM 756 CA GLN A 49 84.889 10.491 2.934 1.00 0.00 C ATOM 757 C GLN A 49 85.010 9.197 2.129 1.00 0.00 C ATOM 758 O GLN A 49 84.212 8.948 1.225 1.00 0.00 O ATOM 759 CB GLN A 49 85.277 11.683 2.056 1.00 0.00 C ATOM 760 CG GLN A 49 84.037 12.216 1.332 1.00 0.00 C ATOM 761 CD GLN A 49 84.436 13.330 0.369 1.00 0.00 C ATOM 762 OE1 GLN A 49 84.430 13.132 -0.847 1.00 0.00 O ATOM 763 NE2 GLN A 49 84.786 14.495 0.842 1.00 0.00 N ATOM 0 H GLN A 49 86.700 10.768 3.964 1.00 0.00 H new ATOM 0 HA GLN A 49 83.855 10.598 3.260 1.00 0.00 H new ATOM 0 HB2 GLN A 49 85.719 12.469 2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 49 86.032 11.382 1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 49 83.549 11.409 0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.315 12.592 2.057 1.00 0.00 H new ATOM 0 HE21 GLN A 49 84.790 14.656 1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 49 85.055 15.244 0.204 1.00 0.00 H new ATOM 772 N GLN A 50 86.012 8.383 2.454 1.00 0.00 N ATOM 773 CA GLN A 50 86.224 7.124 1.739 1.00 0.00 C ATOM 774 C GLN A 50 85.934 5.924 2.632 1.00 0.00 C ATOM 775 O GLN A 50 86.037 6.001 3.857 1.00 0.00 O ATOM 776 CB GLN A 50 87.666 7.017 1.217 1.00 0.00 C ATOM 777 CG GLN A 50 88.555 8.099 1.836 1.00 0.00 C ATOM 778 CD GLN A 50 88.506 9.361 0.986 1.00 0.00 C ATOM 779 OE1 GLN A 50 87.455 9.709 0.452 1.00 0.00 O ATOM 780 NE2 GLN A 50 89.588 10.067 0.828 1.00 0.00 N ATOM 0 H GLN A 50 86.684 8.568 3.199 1.00 0.00 H new ATOM 0 HA GLN A 50 85.533 7.120 0.896 1.00 0.00 H new ATOM 0 HB2 GLN A 50 88.069 6.032 1.451 1.00 0.00 H new ATOM 0 HB3 GLN A 50 87.672 7.114 0.131 1.00 0.00 H new ATOM 0 HG2 GLN A 50 88.221 8.320 2.850 1.00 0.00 H new ATOM 0 HG3 GLN A 50 89.581 7.740 1.910 1.00 0.00 H new ATOM 0 HE21 GLN A 50 90.458 9.774 1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 50 89.566 10.913 0.259 1.00 0.00 H new ATOM 789 N ARG A 51 85.585 4.811 1.993 1.00 0.00 N ATOM 790 CA ARG A 51 85.293 3.569 2.700 1.00 0.00 C ATOM 791 C ARG A 51 86.053 2.426 2.037 1.00 0.00 C ATOM 792 O ARG A 51 86.423 2.522 0.867 1.00 0.00 O ATOM 793 CB ARG A 51 83.787 3.268 2.662 1.00 0.00 C ATOM 794 CG ARG A 51 82.978 4.559 2.852 1.00 0.00 C ATOM 795 CD ARG A 51 82.923 4.923 4.338 1.00 0.00 C ATOM 796 NE ARG A 51 81.607 4.610 4.885 1.00 0.00 N ATOM 797 CZ ARG A 51 81.205 5.118 6.044 1.00 0.00 C ATOM 798 NH1 ARG A 51 81.110 6.412 6.193 1.00 0.00 N ATOM 799 NH2 ARG A 51 80.905 4.325 7.035 1.00 0.00 N ATOM 0 H ARG A 51 85.497 4.745 0.979 1.00 0.00 H new ATOM 0 HA ARG A 51 85.603 3.673 3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.526 2.805 1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.533 2.553 3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.434 5.371 2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 51 81.968 4.427 2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 51 83.691 4.374 4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 51 83.136 5.984 4.468 1.00 0.00 H new ATOM 0 HE ARG A 51 80.984 3.990 4.368 1.00 0.00 H new ATOM 0 HH11 ARG A 51 81.345 7.033 5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 51 80.801 6.801 7.084 1.00 0.00 H new ATOM 0 HH21 ARG A 51 80.979 3.314 6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 51 80.596 4.716 7.925 1.00 0.00 H new ATOM 813 N LEU A 52 86.286 1.348 2.779 1.00 0.00 N ATOM 814 CA LEU A 52 87.007 0.200 2.231 1.00 0.00 C ATOM 815 C LEU A 52 86.083 -1.008 2.145 1.00 0.00 C ATOM 816 O LEU A 52 85.691 -1.567 3.168 1.00 0.00 O ATOM 817 CB LEU A 52 88.211 -0.140 3.120 1.00 0.00 C ATOM 818 CG LEU A 52 89.468 0.584 2.615 1.00 0.00 C ATOM 819 CD1 LEU A 52 89.760 0.175 1.166 1.00 0.00 C ATOM 820 CD2 LEU A 52 89.256 2.099 2.693 1.00 0.00 C ATOM 0 H LEU A 52 85.991 1.243 3.750 1.00 0.00 H new ATOM 0 HA LEU A 52 87.358 0.456 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 52 88.005 0.151 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 52 88.379 -1.217 3.120 1.00 0.00 H new ATOM 0 HG LEU A 52 90.316 0.306 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 52 90.653 0.692 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 52 89.922 -0.902 1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 52 88.913 0.443 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 52 90.149 2.610 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 52 88.404 2.380 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 52 89.064 2.387 3.727 1.00 0.00 H new ATOM 832 N ILE A 53 85.737 -1.410 0.924 1.00 0.00 N ATOM 833 CA ILE A 53 84.857 -2.559 0.725 1.00 0.00 C ATOM 834 C ILE A 53 85.634 -3.694 0.064 1.00 0.00 C ATOM 835 O ILE A 53 86.153 -3.537 -1.041 1.00 0.00 O ATOM 836 CB ILE A 53 83.662 -2.165 -0.161 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.573 -1.493 0.689 1.00 0.00 C ATOM 838 CG2 ILE A 53 83.071 -3.413 -0.828 1.00 0.00 C ATOM 839 CD1 ILE A 53 83.132 -0.238 1.367 1.00 0.00 C ATOM 0 H ILE A 53 86.050 -0.961 0.063 1.00 0.00 H new ATOM 0 HA ILE A 53 84.485 -2.891 1.694 1.00 0.00 H new ATOM 0 HB ILE A 53 84.011 -1.470 -0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.723 -1.228 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 53 82.207 -2.190 1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 53 82.226 -3.126 -1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.832 -3.891 -1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.734 -4.111 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 53 82.351 0.230 1.967 1.00 0.00 H new ATOM 0 HD12 ILE A 53 83.968 -0.514 2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 53 83.475 0.464 0.607 1.00 0.00 H new ATOM 851 N TRP A 54 85.709 -4.837 0.743 1.00 0.00 N ATOM 852 CA TRP A 54 86.425 -5.985 0.200 1.00 0.00 C ATOM 853 C TRP A 54 85.683 -7.283 0.512 1.00 0.00 C ATOM 854 O TRP A 54 85.144 -7.458 1.606 1.00 0.00 O ATOM 855 CB TRP A 54 87.842 -6.047 0.780 1.00 0.00 C ATOM 856 CG TRP A 54 88.752 -6.702 -0.211 1.00 0.00 C ATOM 857 CD1 TRP A 54 89.287 -6.096 -1.296 1.00 0.00 C ATOM 858 CD2 TRP A 54 89.237 -8.076 -0.229 1.00 0.00 C ATOM 859 NE1 TRP A 54 90.072 -7.009 -1.977 1.00 0.00 N ATOM 860 CE2 TRP A 54 90.073 -8.243 -1.359 1.00 0.00 C ATOM 861 CE3 TRP A 54 89.037 -9.180 0.616 1.00 0.00 C ATOM 862 CZ2 TRP A 54 90.685 -9.465 -1.641 1.00 0.00 C ATOM 863 CZ3 TRP A 54 89.652 -10.410 0.337 1.00 0.00 C ATOM 864 CH2 TRP A 54 90.476 -10.552 -0.789 1.00 0.00 C ATOM 0 H TRP A 54 85.288 -4.991 1.659 1.00 0.00 H new ATOM 0 HA TRP A 54 86.484 -5.868 -0.882 1.00 0.00 H new ATOM 0 HB2 TRP A 54 88.198 -5.043 1.010 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.841 -6.607 1.715 1.00 0.00 H new ATOM 0 HD1 TRP A 54 89.127 -5.067 -1.583 1.00 0.00 H new ATOM 0 HE1 TRP A 54 90.587 -6.796 -2.831 1.00 0.00 H new ATOM 0 HE3 TRP A 54 88.405 -9.081 1.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 91.316 -9.570 -2.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 89.490 -11.252 0.993 1.00 0.00 H new ATOM 0 HH2 TRP A 54 90.948 -11.501 -0.997 1.00 0.00 H new ATOM 875 N ALA A 55 85.663 -8.185 -0.467 1.00 0.00 N ATOM 876 CA ALA A 55 84.992 -9.476 -0.323 1.00 0.00 C ATOM 877 C ALA A 55 83.531 -9.299 0.095 1.00 0.00 C ATOM 878 O ALA A 55 83.080 -9.888 1.079 1.00 0.00 O ATOM 879 CB ALA A 55 85.729 -10.341 0.703 1.00 0.00 C ATOM 0 H ALA A 55 86.107 -8.044 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 55 85.009 -9.974 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 55 85.221 -11.300 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 55 86.754 -10.506 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 55 85.738 -9.833 1.668 1.00 0.00 H new ATOM 885 N GLY A 56 82.792 -8.501 -0.677 1.00 0.00 N ATOM 886 CA GLY A 56 81.374 -8.264 -0.407 1.00 0.00 C ATOM 887 C GLY A 56 81.124 -7.722 1.001 1.00 0.00 C ATOM 888 O GLY A 56 79.971 -7.520 1.389 1.00 0.00 O ATOM 0 H GLY A 56 83.152 -8.008 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 56 80.982 -7.558 -1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.823 -9.196 -0.536 1.00 0.00 H new ATOM 892 N LYS A 57 82.189 -7.498 1.766 1.00 0.00 N ATOM 893 CA LYS A 57 82.044 -6.994 3.129 1.00 0.00 C ATOM 894 C LYS A 57 82.650 -5.602 3.271 1.00 0.00 C ATOM 895 O LYS A 57 83.739 -5.331 2.763 1.00 0.00 O ATOM 896 CB LYS A 57 82.727 -7.950 4.113 1.00 0.00 C ATOM 897 CG LYS A 57 81.888 -9.223 4.266 1.00 0.00 C ATOM 898 CD LYS A 57 80.664 -8.937 5.146 1.00 0.00 C ATOM 899 CE LYS A 57 80.997 -9.235 6.610 1.00 0.00 C ATOM 900 NZ LYS A 57 80.930 -10.705 6.847 1.00 0.00 N ATOM 0 H LYS A 57 83.152 -7.655 1.470 1.00 0.00 H new ATOM 0 HA LYS A 57 80.979 -6.931 3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 57 83.725 -8.202 3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 57 82.848 -7.465 5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 57 81.568 -9.578 3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 57 82.490 -10.015 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 57 80.362 -7.895 5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 57 79.822 -9.549 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 57 81.993 -8.862 6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 57 80.296 -8.718 7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 81.005 -10.896 7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 80.025 -11.073 6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 81.714 -11.173 6.349 1.00 0.00 H new ATOM 914 N GLN A 58 81.936 -4.729 3.978 1.00 0.00 N ATOM 915 CA GLN A 58 82.408 -3.368 4.203 1.00 0.00 C ATOM 916 C GLN A 58 83.394 -3.345 5.366 1.00 0.00 C ATOM 917 O GLN A 58 83.084 -3.812 6.463 1.00 0.00 O ATOM 918 CB GLN A 58 81.225 -2.443 4.508 1.00 0.00 C ATOM 919 CG GLN A 58 81.741 -1.037 4.839 1.00 0.00 C ATOM 920 CD GLN A 58 80.698 0.009 4.454 1.00 0.00 C ATOM 921 OE1 GLN A 58 80.398 0.182 3.273 1.00 0.00 O ATOM 922 NE2 GLN A 58 80.127 0.721 5.385 1.00 0.00 N ATOM 0 H GLN A 58 81.033 -4.940 4.403 1.00 0.00 H new ATOM 0 HA GLN A 58 82.910 -3.017 3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.553 -2.402 3.651 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.650 -2.837 5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 58 81.964 -0.964 5.903 1.00 0.00 H new ATOM 0 HG3 GLN A 58 82.672 -0.848 4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 58 80.377 0.576 6.363 1.00 0.00 H new ATOM 0 HE22 GLN A 58 79.430 1.423 5.135 1.00 0.00 H new ATOM 931 N LEU A 59 84.581 -2.803 5.118 1.00 0.00 N ATOM 932 CA LEU A 59 85.610 -2.728 6.151 1.00 0.00 C ATOM 933 C LEU A 59 85.521 -1.399 6.894 1.00 0.00 C ATOM 934 O LEU A 59 85.006 -0.415 6.362 1.00 0.00 O ATOM 935 CB LEU A 59 87.002 -2.878 5.519 1.00 0.00 C ATOM 936 CG LEU A 59 86.982 -4.000 4.471 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.213 -3.885 3.567 1.00 0.00 C ATOM 938 CD2 LEU A 59 86.991 -5.362 5.173 1.00 0.00 C ATOM 0 H LEU A 59 84.855 -2.411 4.217 1.00 0.00 H new ATOM 0 HA LEU A 59 85.449 -3.539 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 59 87.303 -1.939 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 59 87.739 -3.102 6.290 1.00 0.00 H new ATOM 0 HG LEU A 59 86.079 -3.909 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 59 88.195 -4.683 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.204 -2.919 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.117 -3.971 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 59 86.977 -6.156 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 59 87.891 -5.452 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 59 86.112 -5.448 5.811 1.00 0.00 H new ATOM 950 N GLU A 60 86.020 -1.378 8.130 1.00 0.00 N ATOM 951 CA GLU A 60 85.983 -0.165 8.943 1.00 0.00 C ATOM 952 C GLU A 60 87.339 0.097 9.595 1.00 0.00 C ATOM 953 O GLU A 60 88.237 -0.742 9.542 1.00 0.00 O ATOM 954 CB GLU A 60 84.911 -0.297 10.029 1.00 0.00 C ATOM 955 CG GLU A 60 83.530 -0.405 9.376 1.00 0.00 C ATOM 956 CD GLU A 60 82.447 -0.456 10.449 1.00 0.00 C ATOM 957 OE1 GLU A 60 82.160 -1.544 10.921 1.00 0.00 O ATOM 958 OE2 GLU A 60 81.921 0.592 10.783 1.00 0.00 O ATOM 0 H GLU A 60 86.451 -2.182 8.587 1.00 0.00 H new ATOM 0 HA GLU A 60 85.743 0.674 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.105 -1.178 10.641 1.00 0.00 H new ATOM 0 HB3 GLU A 60 84.944 0.566 10.694 1.00 0.00 H new ATOM 0 HG2 GLU A 60 83.362 0.448 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 60 83.481 -1.300 8.756 1.00 0.00 H new ATOM 965 N ASP A 61 87.469 1.272 10.211 1.00 0.00 N ATOM 966 CA ASP A 61 88.712 1.655 10.880 1.00 0.00 C ATOM 967 C ASP A 61 89.153 0.575 11.865 1.00 0.00 C ATOM 968 O ASP A 61 90.348 0.323 12.030 1.00 0.00 O ATOM 969 CB ASP A 61 88.518 2.981 11.622 1.00 0.00 C ATOM 970 CG ASP A 61 87.523 2.806 12.766 1.00 0.00 C ATOM 971 OD1 ASP A 61 86.347 2.634 12.483 1.00 0.00 O ATOM 972 OD2 ASP A 61 87.949 2.845 13.908 1.00 0.00 O ATOM 0 H ASP A 61 86.730 1.974 10.261 1.00 0.00 H new ATOM 0 HA ASP A 61 89.487 1.772 10.122 1.00 0.00 H new ATOM 0 HB2 ASP A 61 89.474 3.331 12.012 1.00 0.00 H new ATOM 0 HB3 ASP A 61 88.158 3.743 10.931 1.00 0.00 H new ATOM 977 N GLY A 62 88.179 -0.061 12.513 1.00 0.00 N ATOM 978 CA GLY A 62 88.468 -1.116 13.480 1.00 0.00 C ATOM 979 C GLY A 62 89.091 -2.331 12.798 1.00 0.00 C ATOM 980 O GLY A 62 89.757 -3.141 13.443 1.00 0.00 O ATOM 0 H GLY A 62 87.186 0.135 12.386 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.146 -0.737 14.245 1.00 0.00 H new ATOM 0 HA3 GLY A 62 87.549 -1.411 13.987 1.00 0.00 H new ATOM 984 N ARG A 63 88.874 -2.446 11.489 1.00 0.00 N ATOM 985 CA ARG A 63 89.420 -3.562 10.724 1.00 0.00 C ATOM 986 C ARG A 63 90.847 -3.252 10.280 1.00 0.00 C ATOM 987 O ARG A 63 91.220 -2.089 10.128 1.00 0.00 O ATOM 988 CB ARG A 63 88.540 -3.831 9.498 1.00 0.00 C ATOM 989 CG ARG A 63 88.749 -5.271 9.012 1.00 0.00 C ATOM 990 CD ARG A 63 87.570 -6.140 9.455 1.00 0.00 C ATOM 991 NE ARG A 63 86.441 -5.961 8.548 1.00 0.00 N ATOM 992 CZ ARG A 63 85.396 -6.782 8.583 1.00 0.00 C ATOM 993 NH1 ARG A 63 84.385 -6.518 9.364 1.00 0.00 N ATOM 994 NH2 ARG A 63 85.382 -7.853 7.837 1.00 0.00 N ATOM 0 H ARG A 63 88.327 -1.783 10.940 1.00 0.00 H new ATOM 0 HA ARG A 63 89.435 -4.449 11.358 1.00 0.00 H new ATOM 0 HB2 ARG A 63 87.492 -3.671 9.750 1.00 0.00 H new ATOM 0 HB3 ARG A 63 88.787 -3.129 8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 63 88.839 -5.289 7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 63 89.680 -5.670 9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 63 87.868 -7.188 9.473 1.00 0.00 H new ATOM 0 HD3 ARG A 63 87.275 -5.875 10.470 1.00 0.00 H new ATOM 0 HE ARG A 63 86.454 -5.194 7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.396 -5.682 9.948 1.00 0.00 H new ATOM 0 HH12 ARG A 63 83.583 -7.148 9.391 1.00 0.00 H new ATOM 0 HH21 ARG A 63 86.173 -8.060 7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 63 84.580 -8.483 7.864 1.00 0.00 H new ATOM 1008 N THR A 64 91.643 -4.303 10.089 1.00 0.00 N ATOM 1009 CA THR A 64 93.034 -4.136 9.677 1.00 0.00 C ATOM 1010 C THR A 64 93.286 -4.785 8.320 1.00 0.00 C ATOM 1011 O THR A 64 92.515 -5.632 7.871 1.00 0.00 O ATOM 1012 CB THR A 64 93.964 -4.765 10.718 1.00 0.00 C ATOM 1013 OG1 THR A 64 93.569 -6.112 10.951 1.00 0.00 O ATOM 1014 CG2 THR A 64 93.888 -3.976 12.026 1.00 0.00 C ATOM 0 H THR A 64 91.350 -5.272 10.212 1.00 0.00 H new ATOM 0 HA THR A 64 93.236 -3.068 9.596 1.00 0.00 H new ATOM 0 HB THR A 64 94.988 -4.743 10.346 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.164 -6.517 11.616 1.00 0.00 H new ATOM 0 HG21 THR A 64 94.552 -4.428 12.763 1.00 0.00 H new ATOM 0 HG22 THR A 64 94.193 -2.945 11.847 1.00 0.00 H new ATOM 0 HG23 THR A 64 92.865 -3.992 12.401 1.00 0.00 H new ATOM 1022 N LEU A 65 94.382 -4.386 7.681 1.00 0.00 N ATOM 1023 CA LEU A 65 94.745 -4.940 6.382 1.00 0.00 C ATOM 1024 C LEU A 65 94.990 -6.444 6.506 1.00 0.00 C ATOM 1025 O LEU A 65 94.588 -7.227 5.645 1.00 0.00 O ATOM 1026 CB LEU A 65 96.011 -4.236 5.861 1.00 0.00 C ATOM 1027 CG LEU A 65 95.626 -2.992 5.048 1.00 0.00 C ATOM 1028 CD1 LEU A 65 96.873 -2.397 4.393 1.00 0.00 C ATOM 1029 CD2 LEU A 65 94.612 -3.362 3.956 1.00 0.00 C ATOM 0 H LEU A 65 95.030 -3.685 8.040 1.00 0.00 H new ATOM 0 HA LEU A 65 93.929 -4.777 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 65 96.648 -3.950 6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 65 96.588 -4.921 5.240 1.00 0.00 H new ATOM 0 HG LEU A 65 95.178 -2.261 5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 65 96.595 -1.514 3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 65 97.590 -2.116 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 65 97.324 -3.136 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 65 94.348 -2.470 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 65 95.051 -4.102 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 65 93.716 -3.777 4.417 1.00 0.00 H new ATOM 1041 N SER A 66 95.651 -6.830 7.593 1.00 0.00 N ATOM 1042 CA SER A 66 95.960 -8.234 7.855 1.00 0.00 C ATOM 1043 C SER A 66 94.687 -9.036 8.126 1.00 0.00 C ATOM 1044 O SER A 66 94.722 -10.266 8.183 1.00 0.00 O ATOM 1045 CB SER A 66 96.903 -8.342 9.058 1.00 0.00 C ATOM 1046 OG SER A 66 97.157 -9.712 9.337 1.00 0.00 O ATOM 0 H SER A 66 95.985 -6.187 8.311 1.00 0.00 H new ATOM 0 HA SER A 66 96.444 -8.647 6.970 1.00 0.00 H new ATOM 0 HB2 SER A 66 97.838 -7.823 8.849 1.00 0.00 H new ATOM 0 HB3 SER A 66 96.458 -7.859 9.928 1.00 0.00 H new ATOM 0 HG SER A 66 96.397 -10.253 9.037 1.00 0.00 H new ATOM 1052 N ASP A 67 93.565 -8.334 8.280 1.00 0.00 N ATOM 1053 CA ASP A 67 92.289 -9.000 8.531 1.00 0.00 C ATOM 1054 C ASP A 67 91.970 -9.959 7.390 1.00 0.00 C ATOM 1055 O ASP A 67 91.558 -11.097 7.613 1.00 0.00 O ATOM 1056 CB ASP A 67 91.165 -7.968 8.657 1.00 0.00 C ATOM 1057 CG ASP A 67 89.841 -8.669 8.943 1.00 0.00 C ATOM 1058 OD1 ASP A 67 89.600 -8.995 10.093 1.00 0.00 O ATOM 1059 OD2 ASP A 67 89.086 -8.874 8.005 1.00 0.00 O ATOM 0 H ASP A 67 93.513 -7.316 8.236 1.00 0.00 H new ATOM 0 HA ASP A 67 92.367 -9.558 9.464 1.00 0.00 H new ATOM 0 HB2 ASP A 67 91.394 -7.265 9.458 1.00 0.00 H new ATOM 0 HB3 ASP A 67 91.088 -7.389 7.737 1.00 0.00 H new ATOM 1064 N TYR A 68 92.169 -9.479 6.166 1.00 0.00 N ATOM 1065 CA TYR A 68 91.908 -10.284 4.980 1.00 0.00 C ATOM 1066 C TYR A 68 93.214 -10.814 4.392 1.00 0.00 C ATOM 1067 O TYR A 68 93.203 -11.566 3.417 1.00 0.00 O ATOM 1068 CB TYR A 68 91.164 -9.445 3.936 1.00 0.00 C ATOM 1069 CG TYR A 68 89.674 -9.621 4.123 1.00 0.00 C ATOM 1070 CD1 TYR A 68 89.039 -10.770 3.636 1.00 0.00 C ATOM 1071 CD2 TYR A 68 88.927 -8.639 4.789 1.00 0.00 C ATOM 1072 CE1 TYR A 68 87.662 -10.937 3.811 1.00 0.00 C ATOM 1073 CE2 TYR A 68 87.548 -8.808 4.964 1.00 0.00 C ATOM 1074 CZ TYR A 68 86.916 -9.957 4.475 1.00 0.00 C ATOM 1075 OH TYR A 68 85.557 -10.122 4.647 1.00 0.00 O ATOM 0 H TYR A 68 92.510 -8.538 5.971 1.00 0.00 H new ATOM 0 HA TYR A 68 91.288 -11.134 5.265 1.00 0.00 H new ATOM 0 HB2 TYR A 68 91.433 -8.394 4.038 1.00 0.00 H new ATOM 0 HB3 TYR A 68 91.455 -9.752 2.931 1.00 0.00 H new ATOM 0 HD1 TYR A 68 89.614 -11.528 3.125 1.00 0.00 H new ATOM 0 HD2 TYR A 68 89.415 -7.753 5.167 1.00 0.00 H new ATOM 0 HE1 TYR A 68 87.174 -11.823 3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 68 86.972 -8.052 5.476 1.00 0.00 H new ATOM 0 HH TYR A 68 85.192 -9.350 5.128 1.00 0.00 H new ATOM 1085 N ASN A 69 94.337 -10.402 4.983 1.00 0.00 N ATOM 1086 CA ASN A 69 95.655 -10.827 4.512 1.00 0.00 C ATOM 1087 C ASN A 69 96.012 -10.086 3.226 1.00 0.00 C ATOM 1088 O ASN A 69 96.159 -10.688 2.160 1.00 0.00 O ATOM 1089 CB ASN A 69 95.678 -12.344 4.275 1.00 0.00 C ATOM 1090 CG ASN A 69 97.102 -12.872 4.416 1.00 0.00 C ATOM 1091 OD1 ASN A 69 98.001 -12.437 3.694 1.00 0.00 O ATOM 1092 ND2 ASN A 69 97.363 -13.790 5.305 1.00 0.00 N ATOM 0 H ASN A 69 94.360 -9.775 5.788 1.00 0.00 H new ATOM 0 HA ASN A 69 96.394 -10.587 5.276 1.00 0.00 H new ATOM 0 HB2 ASN A 69 95.024 -12.842 4.991 1.00 0.00 H new ATOM 0 HB3 ASN A 69 95.294 -12.571 3.280 1.00 0.00 H new ATOM 0 HD21 ASN A 69 98.313 -14.149 5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 69 96.618 -14.149 5.902 1.00 0.00 H new ATOM 1099 N ILE A 70 96.141 -8.769 3.344 1.00 0.00 N ATOM 1100 CA ILE A 70 96.471 -7.925 2.200 1.00 0.00 C ATOM 1101 C ILE A 70 97.979 -7.702 2.111 1.00 0.00 C ATOM 1102 O ILE A 70 98.643 -7.481 3.123 1.00 0.00 O ATOM 1103 CB ILE A 70 95.749 -6.580 2.335 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.231 -6.816 2.426 1.00 0.00 C ATOM 1105 CG2 ILE A 70 96.057 -5.697 1.123 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.739 -7.592 1.199 1.00 0.00 C ATOM 0 H ILE A 70 96.022 -8.262 4.221 1.00 0.00 H new ATOM 0 HA ILE A 70 96.145 -8.424 1.288 1.00 0.00 H new ATOM 0 HB ILE A 70 96.095 -6.079 3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 70 93.996 -7.371 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 70 93.711 -5.860 2.493 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.540 -4.743 1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.131 -5.523 1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 70 95.719 -6.196 0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.664 -7.752 1.277 1.00 0.00 H new ATOM 0 HD12 ILE A 70 93.957 -7.021 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 70 94.246 -8.555 1.150 1.00 0.00 H new ATOM 1118 N GLN A 71 98.509 -7.767 0.889 1.00 0.00 N ATOM 1119 CA GLN A 71 99.940 -7.575 0.663 1.00 0.00 C ATOM 1120 C GLN A 71 100.185 -6.416 -0.302 1.00 0.00 C ATOM 1121 O GLN A 71 99.243 -5.812 -0.813 1.00 0.00 O ATOM 1122 CB GLN A 71 100.550 -8.856 0.084 1.00 0.00 C ATOM 1123 CG GLN A 71 101.114 -9.719 1.218 1.00 0.00 C ATOM 1124 CD GLN A 71 102.398 -9.096 1.761 1.00 0.00 C ATOM 1125 OE1 GLN A 71 103.337 -8.843 1.005 1.00 0.00 O ATOM 1126 NE2 GLN A 71 102.494 -8.831 3.035 1.00 0.00 N ATOM 0 H GLN A 71 97.969 -7.951 0.043 1.00 0.00 H new ATOM 0 HA GLN A 71 100.410 -7.342 1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 71 99.793 -9.413 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 71 101.341 -8.606 -0.623 1.00 0.00 H new ATOM 0 HG2 GLN A 71 100.378 -9.810 2.017 1.00 0.00 H new ATOM 0 HG3 GLN A 71 101.315 -10.726 0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 71 101.716 -9.041 3.660 1.00 0.00 H new ATOM 0 HE22 GLN A 71 103.348 -8.414 3.406 1.00 0.00 H new ATOM 1135 N ARG A 72 101.459 -6.116 -0.545 1.00 0.00 N ATOM 1136 CA ARG A 72 101.826 -5.030 -1.453 1.00 0.00 C ATOM 1137 C ARG A 72 101.243 -5.273 -2.844 1.00 0.00 C ATOM 1138 O ARG A 72 100.602 -4.395 -3.421 1.00 0.00 O ATOM 1139 CB ARG A 72 103.353 -4.910 -1.542 1.00 0.00 C ATOM 1140 CG ARG A 72 103.960 -6.266 -1.928 1.00 0.00 C ATOM 1141 CD ARG A 72 105.414 -6.333 -1.457 1.00 0.00 C ATOM 1142 NE ARG A 72 106.004 -7.617 -1.826 1.00 0.00 N ATOM 1143 CZ ARG A 72 106.278 -7.911 -3.094 1.00 0.00 C ATOM 1144 NH1 ARG A 72 105.341 -8.377 -3.872 1.00 0.00 N ATOM 1145 NH2 ARG A 72 107.484 -7.732 -3.559 1.00 0.00 N ATOM 0 H ARG A 72 102.251 -6.606 -0.129 1.00 0.00 H new ATOM 0 HA ARG A 72 101.416 -4.099 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.625 -4.156 -2.281 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.757 -4.579 -0.585 1.00 0.00 H new ATOM 0 HG2 ARG A 72 103.384 -7.074 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 72 103.911 -6.403 -3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.986 -5.520 -1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.460 -6.200 -0.376 1.00 0.00 H new ATOM 0 HE ARG A 72 106.210 -8.301 -1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 72 104.398 -8.516 -3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 72 105.551 -8.603 -4.844 1.00 0.00 H new ATOM 0 HH21 ARG A 72 108.216 -7.367 -2.950 1.00 0.00 H new ATOM 0 HH22 ARG A 72 107.694 -7.957 -4.531 1.00 0.00 H new ATOM 1159 N GLU A 73 101.476 -6.470 -3.377 1.00 0.00 N ATOM 1160 CA GLU A 73 100.975 -6.824 -4.703 1.00 0.00 C ATOM 1161 C GLU A 73 99.493 -7.197 -4.639 1.00 0.00 C ATOM 1162 O GLU A 73 99.067 -8.196 -5.223 1.00 0.00 O ATOM 1163 CB GLU A 73 101.784 -7.999 -5.266 1.00 0.00 C ATOM 1164 CG GLU A 73 101.851 -9.128 -4.231 1.00 0.00 C ATOM 1165 CD GLU A 73 102.463 -10.380 -4.856 1.00 0.00 C ATOM 1166 OE1 GLU A 73 101.723 -11.140 -5.456 1.00 0.00 O ATOM 1167 OE2 GLU A 73 103.663 -10.558 -4.725 1.00 0.00 O ATOM 0 H GLU A 73 102.006 -7.208 -2.914 1.00 0.00 H new ATOM 0 HA GLU A 73 101.086 -5.960 -5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 73 101.323 -8.362 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 73 102.791 -7.669 -5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 73 102.447 -8.812 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 73 100.851 -9.350 -3.859 1.00 0.00 H new ATOM 1174 N SER A 74 98.713 -6.388 -3.925 1.00 0.00 N ATOM 1175 CA SER A 74 97.280 -6.639 -3.786 1.00 0.00 C ATOM 1176 C SER A 74 96.470 -5.451 -4.298 1.00 0.00 C ATOM 1177 O SER A 74 96.942 -4.313 -4.279 1.00 0.00 O ATOM 1178 CB SER A 74 96.935 -6.895 -2.319 1.00 0.00 C ATOM 1179 OG SER A 74 96.816 -5.651 -1.643 1.00 0.00 O ATOM 0 H SER A 74 99.047 -5.557 -3.436 1.00 0.00 H new ATOM 0 HA SER A 74 97.028 -7.518 -4.380 1.00 0.00 H new ATOM 0 HB2 SER A 74 96.002 -7.454 -2.245 1.00 0.00 H new ATOM 0 HB3 SER A 74 97.709 -7.504 -1.852 1.00 0.00 H new ATOM 0 HG SER A 74 97.706 -5.330 -1.389 1.00 0.00 H new ATOM 1185 N THR A 75 95.244 -5.730 -4.740 1.00 0.00 N ATOM 1186 CA THR A 75 94.358 -4.686 -5.248 1.00 0.00 C ATOM 1187 C THR A 75 93.179 -4.482 -4.300 1.00 0.00 C ATOM 1188 O THR A 75 92.289 -5.329 -4.206 1.00 0.00 O ATOM 1189 CB THR A 75 93.842 -5.070 -6.639 1.00 0.00 C ATOM 1190 OG1 THR A 75 94.936 -5.468 -7.454 1.00 0.00 O ATOM 1191 CG2 THR A 75 93.139 -3.871 -7.278 1.00 0.00 C ATOM 0 H THR A 75 94.844 -6.668 -4.756 1.00 0.00 H new ATOM 0 HA THR A 75 94.920 -3.755 -5.316 1.00 0.00 H new ATOM 0 HB THR A 75 93.135 -5.894 -6.548 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.608 -5.716 -8.344 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.774 -4.148 -8.267 1.00 0.00 H new ATOM 0 HG22 THR A 75 92.300 -3.566 -6.653 1.00 0.00 H new ATOM 0 HG23 THR A 75 93.842 -3.043 -7.370 1.00 0.00 H new ATOM 1199 N LEU A 76 93.183 -3.352 -3.599 1.00 0.00 N ATOM 1200 CA LEU A 76 92.114 -3.035 -2.657 1.00 0.00 C ATOM 1201 C LEU A 76 91.044 -2.184 -3.331 1.00 0.00 C ATOM 1202 O LEU A 76 91.358 -1.254 -4.074 1.00 0.00 O ATOM 1203 CB LEU A 76 92.685 -2.266 -1.458 1.00 0.00 C ATOM 1204 CG LEU A 76 92.676 -3.149 -0.203 1.00 0.00 C ATOM 1205 CD1 LEU A 76 91.233 -3.500 0.176 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.462 -4.436 -0.469 1.00 0.00 C ATOM 0 H LEU A 76 93.912 -2.642 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 76 91.667 -3.969 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.703 -1.943 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.096 -1.366 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 76 93.142 -2.604 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 76 91.233 -4.127 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 76 90.676 -2.584 0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 76 90.762 -4.039 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 76 93.453 -5.059 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 76 93.002 -4.979 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 76 94.491 -4.187 -0.727 1.00 0.00 H new ATOM 1218 N HIS A 77 89.783 -2.499 -3.054 1.00 0.00 N ATOM 1219 CA HIS A 77 88.676 -1.744 -3.629 1.00 0.00 C ATOM 1220 C HIS A 77 88.220 -0.670 -2.645 1.00 0.00 C ATOM 1221 O HIS A 77 87.637 -0.973 -1.601 1.00 0.00 O ATOM 1222 CB HIS A 77 87.509 -2.680 -3.962 1.00 0.00 C ATOM 1223 CG HIS A 77 86.880 -2.251 -5.261 1.00 0.00 C ATOM 1224 ND1 HIS A 77 85.733 -1.476 -5.306 1.00 0.00 N ATOM 1225 CD2 HIS A 77 87.230 -2.478 -6.570 1.00 0.00 C ATOM 1226 CE1 HIS A 77 85.436 -1.264 -6.601 1.00 0.00 C ATOM 1227 NE2 HIS A 77 86.316 -1.853 -7.414 1.00 0.00 N ATOM 0 H HIS A 77 89.504 -3.265 -2.441 1.00 0.00 H new ATOM 0 HA HIS A 77 89.013 -1.268 -4.550 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.863 -3.708 -4.039 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.769 -2.656 -3.162 1.00 0.00 H new ATOM 0 HD2 HIS A 77 88.084 -3.054 -6.895 1.00 0.00 H new ATOM 0 HE1 HIS A 77 84.589 -0.687 -6.941 1.00 0.00 H new ATOM 0 HE2 HIS A 77 86.318 -1.847 -8.434 1.00 0.00 H new ATOM 1235 N LEU A 78 88.498 0.587 -2.984 1.00 0.00 N ATOM 1236 CA LEU A 78 88.124 1.709 -2.130 1.00 0.00 C ATOM 1237 C LEU A 78 86.856 2.383 -2.645 1.00 0.00 C ATOM 1238 O LEU A 78 86.654 2.509 -3.853 1.00 0.00 O ATOM 1239 CB LEU A 78 89.266 2.729 -2.093 1.00 0.00 C ATOM 1240 CG LEU A 78 88.923 3.866 -1.123 1.00 0.00 C ATOM 1241 CD1 LEU A 78 90.120 4.140 -0.207 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.589 5.132 -1.918 1.00 0.00 C ATOM 0 H LEU A 78 88.980 0.853 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 78 87.933 1.331 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 78 90.190 2.241 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.438 3.131 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 78 88.063 3.578 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 78 89.874 4.948 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 78 90.358 3.240 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 78 90.982 4.427 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 78 88.345 5.941 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 78 89.449 5.419 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.735 4.939 -2.568 1.00 0.00 H new ATOM 1254 N VAL A 79 86.006 2.813 -1.717 1.00 0.00 N ATOM 1255 CA VAL A 79 84.757 3.479 -2.070 1.00 0.00 C ATOM 1256 C VAL A 79 84.856 4.971 -1.750 1.00 0.00 C ATOM 1257 O VAL A 79 85.499 5.361 -0.775 1.00 0.00 O ATOM 1258 CB VAL A 79 83.598 2.826 -1.294 1.00 0.00 C ATOM 1259 CG1 VAL A 79 82.712 3.894 -0.643 1.00 0.00 C ATOM 1260 CG2 VAL A 79 82.752 1.984 -2.255 1.00 0.00 C ATOM 0 H VAL A 79 86.160 2.712 -0.714 1.00 0.00 H new ATOM 0 HA VAL A 79 84.569 3.373 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 79 84.016 2.193 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 79 81.900 3.411 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 79 83.308 4.489 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 79 82.297 4.543 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 79 81.931 1.521 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 79 82.349 2.623 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 79 83.373 1.208 -2.702 1.00 0.00 H new ATOM 1270 N LEU A 80 84.221 5.800 -2.581 1.00 0.00 N ATOM 1271 CA LEU A 80 84.248 7.248 -2.378 1.00 0.00 C ATOM 1272 C LEU A 80 82.830 7.797 -2.225 1.00 0.00 C ATOM 1273 O LEU A 80 82.086 7.907 -3.202 1.00 0.00 O ATOM 1274 CB LEU A 80 84.943 7.928 -3.569 1.00 0.00 C ATOM 1275 CG LEU A 80 85.879 9.043 -3.077 1.00 0.00 C ATOM 1276 CD1 LEU A 80 85.121 9.991 -2.140 1.00 0.00 C ATOM 1277 CD2 LEU A 80 87.068 8.429 -2.330 1.00 0.00 C ATOM 0 H LEU A 80 83.686 5.496 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 80 84.803 7.460 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 80 85.512 7.191 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.196 8.343 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 80 86.241 9.605 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 80 85.793 10.778 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 80 84.283 10.438 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 80 84.748 9.433 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.729 9.223 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.705 7.859 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 80 87.617 7.767 -3.000 1.00 0.00 H new ATOM 1289 N ARG A 81 82.465 8.144 -0.991 1.00 0.00 N ATOM 1290 CA ARG A 81 81.136 8.685 -0.711 1.00 0.00 C ATOM 1291 C ARG A 81 80.945 10.036 -1.396 1.00 0.00 C ATOM 1292 O ARG A 81 81.873 10.569 -2.005 1.00 0.00 O ATOM 1293 CB ARG A 81 80.948 8.842 0.801 1.00 0.00 C ATOM 1294 CG ARG A 81 80.421 7.532 1.395 1.00 0.00 C ATOM 1295 CD ARG A 81 79.925 7.777 2.823 1.00 0.00 C ATOM 1296 NE ARG A 81 78.746 6.961 3.095 1.00 0.00 N ATOM 1297 CZ ARG A 81 78.855 5.751 3.634 1.00 0.00 C ATOM 1298 NH1 ARG A 81 79.293 4.754 2.917 1.00 0.00 N ATOM 1299 NH2 ARG A 81 78.524 5.561 4.883 1.00 0.00 N ATOM 0 H ARG A 81 83.068 8.061 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 81 80.392 7.990 -1.101 1.00 0.00 H new ATOM 0 HB2 ARG A 81 81.895 9.109 1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 81 80.250 9.653 1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 81 79.610 7.142 0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 81 81.209 6.779 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 81 80.714 7.537 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 81 79.685 8.832 2.956 1.00 0.00 H new ATOM 0 HE ARG A 81 77.821 7.326 2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 81 79.552 4.902 1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 81 79.376 3.826 3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 81 78.182 6.341 5.444 1.00 0.00 H new ATOM 0 HH22 ARG A 81 78.607 4.633 5.297 1.00 0.00 H new ATOM 1422 N ALA A 91 77.954 5.965 -8.984 1.00 0.00 N ATOM 1423 CA ALA A 91 78.406 5.911 -7.598 1.00 0.00 C ATOM 1424 C ALA A 91 78.071 7.209 -6.873 1.00 0.00 C ATOM 1425 O ALA A 91 78.797 8.199 -6.984 1.00 0.00 O ATOM 1426 CB ALA A 91 79.919 5.683 -7.562 1.00 0.00 C ATOM 0 HA ALA A 91 77.896 5.089 -7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 91 80.256 5.643 -6.526 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.157 4.742 -8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.423 6.502 -8.076 1.00 0.00 H new ATOM 1432 N ASP A 92 76.972 7.197 -6.126 1.00 0.00 N ATOM 1433 CA ASP A 92 76.555 8.378 -5.381 1.00 0.00 C ATOM 1434 C ASP A 92 77.213 8.384 -4.003 1.00 0.00 C ATOM 1435 O ASP A 92 78.399 8.692 -3.878 1.00 0.00 O ATOM 1436 CB ASP A 92 75.032 8.403 -5.234 1.00 0.00 C ATOM 1437 CG ASP A 92 74.371 8.528 -6.605 1.00 0.00 C ATOM 1438 OD1 ASP A 92 74.469 7.589 -7.378 1.00 0.00 O ATOM 1439 OD2 ASP A 92 73.774 9.560 -6.861 1.00 0.00 O ATOM 0 H ASP A 92 76.359 6.389 -6.021 1.00 0.00 H new ATOM 0 HA ASP A 92 76.868 9.267 -5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 92 74.692 7.493 -4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 92 74.734 9.239 -4.601 1.00 0.00 H new ATOM 1444 N GLU A 93 76.438 8.040 -2.972 1.00 0.00 N ATOM 1445 CA GLU A 93 76.962 8.014 -1.610 1.00 0.00 C ATOM 1446 C GLU A 93 76.710 6.659 -0.949 1.00 0.00 C ATOM 1447 O GLU A 93 77.533 6.192 -0.163 1.00 0.00 O ATOM 1448 CB GLU A 93 76.312 9.123 -0.778 1.00 0.00 C ATOM 1449 CG GLU A 93 76.857 9.084 0.655 1.00 0.00 C ATOM 1450 CD GLU A 93 76.998 10.501 1.205 1.00 0.00 C ATOM 1451 OE1 GLU A 93 76.015 11.225 1.188 1.00 0.00 O ATOM 1452 OE2 GLU A 93 78.087 10.841 1.638 1.00 0.00 O ATOM 0 H GLU A 93 75.456 7.778 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 93 78.039 8.178 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 93 76.516 10.095 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 93 75.229 8.996 -0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 93 76.188 8.504 1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 93 77.825 8.582 0.670 1.00 0.00 H new ATOM 1459 N GLU A 94 75.565 6.043 -1.248 1.00 0.00 N ATOM 1460 CA GLU A 94 75.226 4.750 -0.651 1.00 0.00 C ATOM 1461 C GLU A 94 75.222 3.637 -1.699 1.00 0.00 C ATOM 1462 O GLU A 94 75.751 2.551 -1.462 1.00 0.00 O ATOM 1463 CB GLU A 94 73.848 4.832 0.012 1.00 0.00 C ATOM 1464 CG GLU A 94 73.530 3.509 0.722 1.00 0.00 C ATOM 1465 CD GLU A 94 72.997 2.481 -0.278 1.00 0.00 C ATOM 1466 OE1 GLU A 94 72.109 2.826 -1.042 1.00 0.00 O ATOM 1467 OE2 GLU A 94 73.486 1.363 -0.264 1.00 0.00 O ATOM 0 H GLU A 94 74.865 6.412 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 94 75.984 4.514 0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 94 73.828 5.653 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 94 73.086 5.045 -0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 94 74.428 3.124 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 94 72.793 3.678 1.507 1.00 0.00 H new ATOM 1474 N GLU A 95 74.620 3.913 -2.854 1.00 0.00 N ATOM 1475 CA GLU A 95 74.547 2.927 -3.932 1.00 0.00 C ATOM 1476 C GLU A 95 75.944 2.559 -4.421 1.00 0.00 C ATOM 1477 O GLU A 95 76.114 1.617 -5.194 1.00 0.00 O ATOM 1478 CB GLU A 95 73.717 3.470 -5.100 1.00 0.00 C ATOM 1479 CG GLU A 95 74.082 4.935 -5.367 1.00 0.00 C ATOM 1480 CD GLU A 95 72.985 5.854 -4.833 1.00 0.00 C ATOM 1481 OE1 GLU A 95 72.847 5.939 -3.623 1.00 0.00 O ATOM 1482 OE2 GLU A 95 72.302 6.459 -5.642 1.00 0.00 O ATOM 0 H GLU A 95 74.177 4.807 -3.068 1.00 0.00 H new ATOM 0 HA GLU A 95 74.065 2.032 -3.539 1.00 0.00 H new ATOM 0 HB2 GLU A 95 73.898 2.873 -5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 95 72.655 3.387 -4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 95 75.032 5.174 -4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 95 74.214 5.096 -6.437 1.00 0.00 H new ATOM 1489 N LEU A 96 76.937 3.309 -3.956 1.00 0.00 N ATOM 1490 CA LEU A 96 78.323 3.070 -4.335 1.00 0.00 C ATOM 1491 C LEU A 96 78.892 1.857 -3.589 1.00 0.00 C ATOM 1492 O LEU A 96 79.979 1.376 -3.905 1.00 0.00 O ATOM 1493 CB LEU A 96 79.149 4.336 -4.051 1.00 0.00 C ATOM 1494 CG LEU A 96 79.770 4.300 -2.647 1.00 0.00 C ATOM 1495 CD1 LEU A 96 80.498 5.621 -2.396 1.00 0.00 C ATOM 1496 CD2 LEU A 96 78.680 4.122 -1.587 1.00 0.00 C ATOM 0 H LEU A 96 76.806 4.090 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 96 78.373 2.846 -5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 96 79.938 4.432 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 96 78.513 5.216 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 96 80.465 3.463 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 96 80.944 5.608 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 96 81.281 5.752 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 96 79.789 6.446 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 96 79.136 4.098 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 96 77.978 4.954 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 96 78.149 3.187 -1.765 1.00 0.00 H new ATOM 1508 N ILE A 97 78.146 1.370 -2.597 1.00 0.00 N ATOM 1509 CA ILE A 97 78.578 0.216 -1.811 1.00 0.00 C ATOM 1510 C ILE A 97 77.962 -1.067 -2.362 1.00 0.00 C ATOM 1511 O ILE A 97 78.667 -2.041 -2.627 1.00 0.00 O ATOM 1512 CB ILE A 97 78.179 0.407 -0.338 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.324 1.097 0.414 1.00 0.00 C ATOM 1514 CG2 ILE A 97 77.892 -0.949 0.320 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.750 2.046 1.467 1.00 0.00 C ATOM 0 H ILE A 97 77.243 1.756 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 97 79.663 0.133 -1.878 1.00 0.00 H new ATOM 0 HB ILE A 97 77.279 1.020 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 97 79.960 0.351 0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 97 79.950 1.650 -0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.611 -0.796 1.362 1.00 0.00 H new ATOM 0 HG22 ILE A 97 77.076 -1.444 -0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 97 78.785 -1.573 0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.566 2.535 2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 97 78.132 2.800 0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 97 78.142 1.481 2.174 1.00 0.00 H new ATOM 1527 N ARG A 98 76.641 -1.061 -2.523 1.00 0.00 N ATOM 1528 CA ARG A 98 75.934 -2.230 -3.034 1.00 0.00 C ATOM 1529 C ARG A 98 76.416 -2.586 -4.439 1.00 0.00 C ATOM 1530 O ARG A 98 76.492 -3.763 -4.800 1.00 0.00 O ATOM 1531 CB ARG A 98 74.423 -1.963 -3.052 1.00 0.00 C ATOM 1532 CG ARG A 98 74.108 -0.811 -4.012 1.00 0.00 C ATOM 1533 CD ARG A 98 72.634 -0.419 -3.881 1.00 0.00 C ATOM 1534 NE ARG A 98 72.371 0.124 -2.553 1.00 0.00 N ATOM 1535 CZ ARG A 98 71.228 -0.124 -1.921 1.00 0.00 C ATOM 1536 NH1 ARG A 98 71.087 -1.225 -1.235 1.00 0.00 N ATOM 1537 NH2 ARG A 98 70.246 0.734 -1.989 1.00 0.00 N ATOM 0 H ARG A 98 76.042 -0.264 -2.308 1.00 0.00 H new ATOM 0 HA ARG A 98 76.143 -3.072 -2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 98 73.890 -2.862 -3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 98 74.077 -1.717 -2.048 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.743 0.046 -3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 98 74.325 -1.110 -5.038 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.378 0.320 -4.641 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.002 -1.289 -4.057 1.00 0.00 H new ATOM 0 HE ARG A 98 73.077 0.705 -2.101 1.00 0.00 H new ATOM 0 HH11 ARG A 98 71.854 -1.896 -1.184 1.00 0.00 H new ATOM 0 HH12 ARG A 98 70.210 -1.415 -0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 98 70.356 1.594 -2.527 1.00 0.00 H new ATOM 0 HH22 ARG A 98 69.369 0.544 -1.504 1.00 0.00 H new ATOM 1551 N LYS A 99 76.747 -1.565 -5.225 1.00 0.00 N ATOM 1552 CA LYS A 99 77.222 -1.790 -6.585 1.00 0.00 C ATOM 1553 C LYS A 99 78.697 -2.181 -6.581 1.00 0.00 C ATOM 1554 O LYS A 99 79.142 -2.937 -7.441 1.00 0.00 O ATOM 1555 CB LYS A 99 77.009 -0.532 -7.439 1.00 0.00 C ATOM 1556 CG LYS A 99 78.097 0.506 -7.140 1.00 0.00 C ATOM 1557 CD LYS A 99 77.760 1.823 -7.851 1.00 0.00 C ATOM 1558 CE LYS A 99 78.112 1.714 -9.337 1.00 0.00 C ATOM 1559 NZ LYS A 99 79.403 2.412 -9.594 1.00 0.00 N ATOM 0 H LYS A 99 76.696 -0.585 -4.947 1.00 0.00 H new ATOM 0 HA LYS A 99 76.648 -2.610 -7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 99 77.029 -0.795 -8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 99 76.026 -0.108 -7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 99 78.172 0.670 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 99 79.067 0.138 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 99 76.700 2.049 -7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 99 78.313 2.645 -7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 99 78.189 0.666 -9.628 1.00 0.00 H new ATOM 0 HE3 LYS A 99 77.321 2.156 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 79.243 3.210 -10.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 79.790 2.767 -8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 80.078 1.747 -10.023 1.00 0.00 H new ATOM 1573 N ALA A 100 79.439 -1.693 -5.586 1.00 0.00 N ATOM 1574 CA ALA A 100 80.857 -2.022 -5.461 1.00 0.00 C ATOM 1575 C ALA A 100 81.009 -3.487 -5.091 1.00 0.00 C ATOM 1576 O ALA A 100 82.017 -4.120 -5.402 1.00 0.00 O ATOM 1577 CB ALA A 100 81.507 -1.151 -4.382 1.00 0.00 C ATOM 0 H ALA A 100 79.083 -1.072 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 100 81.350 -1.833 -6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.564 -1.405 -4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.407 -0.100 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 100 81.014 -1.327 -3.426 1.00 0.00 H new ATOM 1583 N ILE A 101 79.983 -4.014 -4.436 1.00 0.00 N ATOM 1584 CA ILE A 101 79.973 -5.407 -4.022 1.00 0.00 C ATOM 1585 C ILE A 101 79.482 -6.297 -5.163 1.00 0.00 C ATOM 1586 O ILE A 101 79.850 -7.469 -5.252 1.00 0.00 O ATOM 1587 CB ILE A 101 79.050 -5.572 -2.810 1.00 0.00 C ATOM 1588 CG1 ILE A 101 79.693 -4.897 -1.590 1.00 0.00 C ATOM 1589 CG2 ILE A 101 78.831 -7.061 -2.520 1.00 0.00 C ATOM 1590 CD1 ILE A 101 78.613 -4.558 -0.559 1.00 0.00 C ATOM 0 H ILE A 101 79.144 -3.493 -4.180 1.00 0.00 H new ATOM 0 HA ILE A 101 80.987 -5.704 -3.756 1.00 0.00 H new ATOM 0 HB ILE A 101 78.087 -5.107 -3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 101 80.438 -5.558 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 101 80.214 -3.990 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 101 78.174 -7.171 -1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 101 78.374 -7.537 -3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 101 79.789 -7.535 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 101 79.073 -4.079 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 101 77.885 -3.880 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 101 78.112 -5.473 -0.243 1.00 0.00 H new ATOM 1602 N GLU A 102 78.613 -5.743 -6.006 1.00 0.00 N ATOM 1603 CA GLU A 102 78.029 -6.505 -7.109 1.00 0.00 C ATOM 1604 C GLU A 102 78.798 -6.383 -8.430 1.00 0.00 C ATOM 1605 O GLU A 102 78.513 -7.132 -9.364 1.00 0.00 O ATOM 1606 CB GLU A 102 76.585 -6.045 -7.328 1.00 0.00 C ATOM 1607 CG GLU A 102 75.622 -7.100 -6.777 1.00 0.00 C ATOM 1608 CD GLU A 102 75.862 -7.299 -5.282 1.00 0.00 C ATOM 1609 OE1 GLU A 102 75.447 -6.445 -4.515 1.00 0.00 O ATOM 1610 OE2 GLU A 102 76.462 -8.301 -4.925 1.00 0.00 O ATOM 0 H GLU A 102 78.299 -4.774 -5.948 1.00 0.00 H new ATOM 0 HA GLU A 102 78.078 -7.554 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.417 -5.090 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 102 76.400 -5.888 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 102 74.592 -6.789 -6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 102 75.763 -8.043 -7.305 1.00 0.00 H new ATOM 1617 N LEU A 103 79.741 -5.448 -8.544 1.00 0.00 N ATOM 1618 CA LEU A 103 80.463 -5.313 -9.814 1.00 0.00 C ATOM 1619 C LEU A 103 81.816 -6.040 -9.823 1.00 0.00 C ATOM 1620 O LEU A 103 81.978 -7.028 -10.542 1.00 0.00 O ATOM 1621 CB LEU A 103 80.616 -3.835 -10.229 1.00 0.00 C ATOM 1622 CG LEU A 103 81.364 -3.011 -9.175 1.00 0.00 C ATOM 1623 CD1 LEU A 103 82.829 -2.841 -9.589 1.00 0.00 C ATOM 1624 CD2 LEU A 103 80.709 -1.626 -9.080 1.00 0.00 C ATOM 0 H LEU A 103 80.017 -4.797 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 103 79.845 -5.810 -10.562 1.00 0.00 H new ATOM 0 HB2 LEU A 103 81.150 -3.779 -11.177 1.00 0.00 H new ATOM 0 HB3 LEU A 103 79.629 -3.402 -10.393 1.00 0.00 H new ATOM 0 HG LEU A 103 81.319 -3.522 -8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 103 83.354 -2.254 -8.835 1.00 0.00 H new ATOM 0 HD12 LEU A 103 83.298 -3.821 -9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 103 82.879 -2.327 -10.549 1.00 0.00 H new ATOM 0 HD21 LEU A 103 81.231 -1.027 -8.333 1.00 0.00 H new ATOM 0 HD22 LEU A 103 80.767 -1.129 -10.048 1.00 0.00 H new ATOM 0 HD23 LEU A 103 79.664 -1.737 -8.791 1.00 0.00 H new ATOM 1636 N SER A 104 82.789 -5.543 -9.064 1.00 0.00 N ATOM 1637 CA SER A 104 84.123 -6.152 -9.045 1.00 0.00 C ATOM 1638 C SER A 104 84.334 -7.060 -7.839 1.00 0.00 C ATOM 1639 O SER A 104 85.342 -7.763 -7.759 1.00 0.00 O ATOM 1640 CB SER A 104 85.192 -5.059 -9.040 1.00 0.00 C ATOM 1641 OG SER A 104 85.095 -4.311 -7.835 1.00 0.00 O ATOM 0 H SER A 104 82.685 -4.729 -8.459 1.00 0.00 H new ATOM 0 HA SER A 104 84.206 -6.766 -9.942 1.00 0.00 H new ATOM 0 HB2 SER A 104 86.183 -5.504 -9.126 1.00 0.00 H new ATOM 0 HB3 SER A 104 85.061 -4.403 -9.900 1.00 0.00 H new ATOM 0 HG SER A 104 85.351 -3.381 -8.006 1.00 0.00 H new ATOM 1647 N LEU A 105 83.412 -7.017 -6.887 1.00 0.00 N ATOM 1648 CA LEU A 105 83.553 -7.816 -5.677 1.00 0.00 C ATOM 1649 C LEU A 105 82.850 -9.165 -5.796 1.00 0.00 C ATOM 1650 O LEU A 105 83.372 -10.179 -5.330 1.00 0.00 O ATOM 1651 CB LEU A 105 82.982 -7.034 -4.497 1.00 0.00 C ATOM 1652 CG LEU A 105 84.104 -6.300 -3.750 1.00 0.00 C ATOM 1653 CD1 LEU A 105 85.088 -7.310 -3.162 1.00 0.00 C ATOM 1654 CD2 LEU A 105 84.850 -5.367 -4.712 1.00 0.00 C ATOM 0 H LEU A 105 82.568 -6.445 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 105 84.613 -8.017 -5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 105 82.242 -6.316 -4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.467 -7.713 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 105 83.663 -5.713 -2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 105 85.881 -6.780 -2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 105 84.564 -7.966 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 105 85.522 -7.905 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 105 85.645 -4.850 -4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 105 85.282 -5.952 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 105 84.154 -4.635 -5.122 1.00 0.00 H new