USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot -15:sc= -4.1! USER MOD Set 1.2: A 88 LYS NZ :NH3+ 164:sc= -1.71! (180deg=-2.23!) USER MOD Set 2.1: A 56 THR OG1 : rot -100:sc= 0 USER MOD Set 2.2: A 77 LYS NZ :NH3+ 163:sc= 1.11 (180deg=0.717) USER MOD Set 3.1: A 36 LYS NZ :NH3+ -163:sc= -1.73! (180deg=-1.93!) USER MOD Set 3.2: A 55 ASN : amide:sc= 0 X(o=-1.7,f=-1.9) USER MOD Single : A 14 SER OG : rot -47:sc= -0.0817! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -4.14! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.89! USER MOD Single : A 31 HIS : no HD1:sc= -0.457 X(o=-0.46,f=-0.27) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -157:sc= -3.34! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -121:sc= -0.316 (180deg=-2.93!) USER MOD Single : A 53 LYS NZ :NH3+ -116:sc= -0.0252 (180deg=-0.315) USER MOD Single : A 58 HIS : no HD1:sc= -2.33 X(o=-2.3,f=-2.2!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -2.6! K(o=-2.6!,f=-1.4) USER MOD Single : A 87 GLN : amide:sc= -14.5! C(o=-14!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 99 N VAL A 7 -2.256 -10.516 4.905 1.00 0.00 N ATOM 100 CA VAL A 7 -2.085 -9.907 3.555 1.00 0.00 C ATOM 101 C VAL A 7 -2.890 -8.607 3.437 1.00 0.00 C ATOM 102 O VAL A 7 -2.345 -7.523 3.427 1.00 0.00 O ATOM 103 CB VAL A 7 -2.612 -10.919 2.536 1.00 0.00 C ATOM 104 CG1 VAL A 7 -1.955 -10.629 1.195 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.289 -12.350 2.960 1.00 0.00 C ATOM 0 HA VAL A 7 -1.035 -9.670 3.382 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.696 -10.826 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.316 -11.340 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.204 -9.616 0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.873 -10.724 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.676 -13.046 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.209 -12.470 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.751 -12.557 3.925 1.00 0.00 H new ATOM 115 N ILE A 8 -4.185 -8.713 3.322 1.00 0.00 N ATOM 116 CA ILE A 8 -5.030 -7.496 3.169 1.00 0.00 C ATOM 117 C ILE A 8 -5.725 -7.155 4.487 1.00 0.00 C ATOM 118 O ILE A 8 -6.467 -7.945 5.036 1.00 0.00 O ATOM 119 CB ILE A 8 -6.060 -7.866 2.091 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.408 -8.747 1.020 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.580 -6.587 1.428 1.00 0.00 C ATOM 122 CD1 ILE A 8 -4.297 -7.967 0.326 1.00 0.00 C ATOM 0 H ILE A 8 -4.697 -9.595 3.328 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.444 -6.619 2.893 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.881 -8.410 2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.003 -9.651 1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.154 -9.064 0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.311 -6.846 0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.050 -5.953 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.749 -6.051 0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.833 -8.594 -0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.716 -7.076 -0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.546 -7.672 1.059 1.00 0.00 H new ATOM 134 N LEU A 9 -5.491 -5.976 4.992 1.00 0.00 N ATOM 135 CA LEU A 9 -6.136 -5.569 6.269 1.00 0.00 C ATOM 136 C LEU A 9 -7.399 -4.750 5.977 1.00 0.00 C ATOM 137 O LEU A 9 -8.404 -5.280 5.544 1.00 0.00 O ATOM 138 CB LEU A 9 -5.084 -4.717 6.986 1.00 0.00 C ATOM 139 CG LEU A 9 -4.052 -5.625 7.649 1.00 0.00 C ATOM 140 CD1 LEU A 9 -3.050 -4.774 8.432 1.00 0.00 C ATOM 141 CD2 LEU A 9 -4.762 -6.586 8.605 1.00 0.00 C ATOM 0 H LEU A 9 -4.879 -5.276 4.573 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.445 -6.421 6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.594 -4.052 6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.562 -4.086 7.735 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.524 -6.195 6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.313 -5.423 8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.546 -4.088 7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.577 -4.204 9.198 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.027 -7.236 9.080 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.290 -6.015 9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.476 -7.192 8.048 1.00 0.00 H new ATOM 153 N ALA A 10 -7.359 -3.464 6.203 1.00 0.00 N ATOM 154 CA ALA A 10 -8.556 -2.621 5.930 1.00 0.00 C ATOM 155 C ALA A 10 -8.301 -1.721 4.720 1.00 0.00 C ATOM 156 O ALA A 10 -7.168 -1.444 4.379 1.00 0.00 O ATOM 157 CB ALA A 10 -8.743 -1.780 7.193 1.00 0.00 C ATOM 0 H ALA A 10 -6.548 -2.962 6.565 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.440 -3.217 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.609 -1.129 7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.900 -2.438 8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.853 -1.173 7.361 1.00 0.00 H new ATOM 163 N PRO A 11 -9.370 -1.283 4.116 1.00 0.00 N ATOM 164 CA PRO A 11 -9.265 -0.391 2.938 1.00 0.00 C ATOM 165 C PRO A 11 -8.842 1.010 3.389 1.00 0.00 C ATOM 166 O PRO A 11 -9.287 1.503 4.405 1.00 0.00 O ATOM 167 CB PRO A 11 -10.681 -0.377 2.372 1.00 0.00 C ATOM 168 CG PRO A 11 -11.565 -0.708 3.533 1.00 0.00 C ATOM 169 CD PRO A 11 -10.762 -1.576 4.468 1.00 0.00 C ATOM 0 HA PRO A 11 -8.528 -0.719 2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.929 0.598 1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.793 -1.107 1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.894 0.200 4.038 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.462 -1.229 3.198 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.969 -1.337 5.511 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.995 -2.632 4.331 1.00 0.00 H new ATOM 177 N VAL A 12 -7.983 1.657 2.647 1.00 0.00 N ATOM 178 CA VAL A 12 -7.540 3.023 3.051 1.00 0.00 C ATOM 179 C VAL A 12 -8.530 4.073 2.537 1.00 0.00 C ATOM 180 O VAL A 12 -8.915 4.063 1.384 1.00 0.00 O ATOM 181 CB VAL A 12 -6.160 3.219 2.406 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.362 1.914 2.475 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.329 3.634 0.941 1.00 0.00 C ATOM 0 H VAL A 12 -7.571 1.302 1.784 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.493 3.131 4.135 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.624 3.999 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.384 2.061 2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.233 1.621 3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.900 1.130 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.348 3.772 0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.872 2.857 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.888 4.569 0.890 1.00 0.00 H new ATOM 193 N LEU A 13 -8.940 4.979 3.376 1.00 0.00 N ATOM 194 CA LEU A 13 -9.896 6.025 2.922 1.00 0.00 C ATOM 195 C LEU A 13 -9.159 7.346 2.688 1.00 0.00 C ATOM 196 O LEU A 13 -8.670 7.968 3.610 1.00 0.00 O ATOM 197 CB LEU A 13 -10.907 6.168 4.056 1.00 0.00 C ATOM 198 CG LEU A 13 -11.723 4.878 4.185 1.00 0.00 C ATOM 199 CD1 LEU A 13 -12.188 4.421 2.799 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.855 3.788 4.814 1.00 0.00 C ATOM 0 H LEU A 13 -8.656 5.041 4.354 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.380 5.759 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.390 6.378 4.992 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.570 7.011 3.861 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.593 5.063 4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.768 3.503 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.807 5.197 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.320 4.237 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.435 2.869 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.985 3.606 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.526 4.110 5.802 1.00 0.00 H new ATOM 212 N SER A 14 -9.077 7.780 1.461 1.00 0.00 N ATOM 213 CA SER A 14 -8.374 9.060 1.168 1.00 0.00 C ATOM 214 C SER A 14 -8.752 9.558 -0.227 1.00 0.00 C ATOM 215 O SER A 14 -9.021 8.781 -1.121 1.00 0.00 O ATOM 216 CB SER A 14 -6.885 8.716 1.230 1.00 0.00 C ATOM 217 OG SER A 14 -6.647 7.863 2.342 1.00 0.00 O ATOM 0 H SER A 14 -9.467 7.303 0.648 1.00 0.00 H new ATOM 0 HA SER A 14 -8.639 9.850 1.871 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.574 8.226 0.307 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.293 9.627 1.322 1.00 0.00 H new ATOM 0 HG SER A 14 -7.092 8.228 3.135 1.00 0.00 H new ATOM 223 N GLU A 15 -8.778 10.848 -0.422 1.00 0.00 N ATOM 224 CA GLU A 15 -9.142 11.392 -1.761 1.00 0.00 C ATOM 225 C GLU A 15 -8.452 10.581 -2.861 1.00 0.00 C ATOM 226 O GLU A 15 -9.086 10.085 -3.772 1.00 0.00 O ATOM 227 CB GLU A 15 -8.633 12.833 -1.757 1.00 0.00 C ATOM 228 CG GLU A 15 -9.472 13.669 -0.788 1.00 0.00 C ATOM 229 CD GLU A 15 -8.824 15.042 -0.603 1.00 0.00 C ATOM 230 OE1 GLU A 15 -8.245 15.536 -1.556 1.00 0.00 O ATOM 231 OE2 GLU A 15 -8.917 15.576 0.490 1.00 0.00 O ATOM 0 H GLU A 15 -8.563 11.549 0.288 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.214 11.342 -1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.584 12.858 -1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.692 13.253 -2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.485 13.783 -1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.551 13.160 0.173 1.00 0.00 H new ATOM 238 N LYS A 16 -7.157 10.439 -2.783 1.00 0.00 N ATOM 239 CA LYS A 16 -6.427 9.661 -3.819 1.00 0.00 C ATOM 240 C LYS A 16 -7.027 8.258 -3.944 1.00 0.00 C ATOM 241 O LYS A 16 -6.878 7.595 -4.952 1.00 0.00 O ATOM 242 CB LYS A 16 -4.986 9.587 -3.316 1.00 0.00 C ATOM 243 CG LYS A 16 -4.340 10.970 -3.414 1.00 0.00 C ATOM 244 CD LYS A 16 -2.816 10.824 -3.418 1.00 0.00 C ATOM 245 CE LYS A 16 -2.376 10.095 -4.690 1.00 0.00 C ATOM 246 NZ LYS A 16 -0.901 10.284 -4.750 1.00 0.00 N ATOM 0 H LYS A 16 -6.573 10.830 -2.044 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.490 10.122 -4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.967 9.238 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.420 8.867 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.670 11.473 -4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.654 11.590 -2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.346 11.806 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.491 10.270 -2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.637 9.038 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.864 10.510 -5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.525 9.812 -5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.683 11.300 -4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.463 9.873 -3.901 1.00 0.00 H new ATOM 260 N ALA A 17 -7.704 7.799 -2.926 1.00 0.00 N ATOM 261 CA ALA A 17 -8.312 6.438 -2.987 1.00 0.00 C ATOM 262 C ALA A 17 -9.804 6.538 -3.309 1.00 0.00 C ATOM 263 O ALA A 17 -10.280 5.972 -4.273 1.00 0.00 O ATOM 264 CB ALA A 17 -8.110 5.849 -1.591 1.00 0.00 C ATOM 0 H ALA A 17 -7.862 8.307 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.858 5.821 -3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.532 4.845 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.044 5.803 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.609 6.479 -0.855 1.00 0.00 H new ATOM 270 N TYR A 18 -10.548 7.248 -2.507 1.00 0.00 N ATOM 271 CA TYR A 18 -12.009 7.377 -2.767 1.00 0.00 C ATOM 272 C TYR A 18 -12.259 7.709 -4.240 1.00 0.00 C ATOM 273 O TYR A 18 -13.231 7.277 -4.826 1.00 0.00 O ATOM 274 CB TYR A 18 -12.475 8.524 -1.870 1.00 0.00 C ATOM 275 CG TYR A 18 -12.959 7.962 -0.555 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.764 6.818 -0.540 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.597 8.581 0.647 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.210 6.291 0.678 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.042 8.055 1.866 1.00 0.00 C ATOM 280 CZ TYR A 18 -13.849 6.909 1.881 1.00 0.00 C ATOM 281 OH TYR A 18 -14.287 6.391 3.083 1.00 0.00 O ATOM 0 H TYR A 18 -10.208 7.744 -1.683 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.547 6.453 -2.556 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.657 9.224 -1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.275 9.081 -2.358 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -14.042 6.341 -1.468 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.975 9.464 0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.832 5.408 0.689 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.764 8.532 2.794 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.945 6.940 3.820 1.00 0.00 H new ATOM 291 N ALA A 19 -11.388 8.471 -4.841 1.00 0.00 N ATOM 292 CA ALA A 19 -11.578 8.825 -6.275 1.00 0.00 C ATOM 293 C ALA A 19 -10.891 7.785 -7.167 1.00 0.00 C ATOM 294 O ALA A 19 -11.056 7.776 -8.371 1.00 0.00 O ATOM 295 CB ALA A 19 -10.922 10.196 -6.440 1.00 0.00 C ATOM 0 H ALA A 19 -10.555 8.863 -4.402 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.630 8.845 -6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.022 10.525 -7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.411 10.915 -5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.865 10.127 -6.181 1.00 0.00 H new ATOM 301 N GLY A 20 -10.131 6.905 -6.578 1.00 0.00 N ATOM 302 CA GLY A 20 -9.437 5.851 -7.373 1.00 0.00 C ATOM 303 C GLY A 20 -10.186 4.540 -7.182 1.00 0.00 C ATOM 304 O GLY A 20 -10.284 3.727 -8.079 1.00 0.00 O ATOM 0 H GLY A 20 -9.959 6.869 -5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.413 6.125 -8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.402 5.748 -7.047 1.00 0.00 H new ATOM 308 N PHE A 21 -10.727 4.340 -6.016 1.00 0.00 N ATOM 309 CA PHE A 21 -11.491 3.096 -5.752 1.00 0.00 C ATOM 310 C PHE A 21 -12.899 3.243 -6.338 1.00 0.00 C ATOM 311 O PHE A 21 -13.606 2.277 -6.552 1.00 0.00 O ATOM 312 CB PHE A 21 -11.510 2.978 -4.212 1.00 0.00 C ATOM 313 CG PHE A 21 -12.890 3.262 -3.661 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.371 4.574 -3.631 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.685 2.213 -3.187 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.649 4.840 -3.127 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.964 2.477 -2.682 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.446 3.791 -2.652 1.00 0.00 C ATOM 0 H PHE A 21 -10.672 4.989 -5.231 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.058 2.204 -6.206 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.196 1.977 -3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.792 3.677 -3.782 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.756 5.383 -3.997 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.312 1.200 -3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.021 5.854 -3.104 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.578 1.668 -2.316 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.432 3.996 -2.263 1.00 0.00 H new ATOM 328 N ALA A 22 -13.304 4.456 -6.585 1.00 0.00 N ATOM 329 CA ALA A 22 -14.655 4.705 -7.143 1.00 0.00 C ATOM 330 C ALA A 22 -14.860 3.916 -8.439 1.00 0.00 C ATOM 331 O ALA A 22 -15.972 3.658 -8.854 1.00 0.00 O ATOM 332 CB ALA A 22 -14.686 6.205 -7.415 1.00 0.00 C ATOM 0 H ALA A 22 -12.747 5.295 -6.421 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.447 4.390 -6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.655 6.479 -7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.525 6.747 -6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.900 6.462 -8.125 1.00 0.00 H new ATOM 338 N GLU A 23 -13.792 3.535 -9.083 1.00 0.00 N ATOM 339 CA GLU A 23 -13.913 2.768 -10.357 1.00 0.00 C ATOM 340 C GLU A 23 -13.974 1.265 -10.069 1.00 0.00 C ATOM 341 O GLU A 23 -13.752 0.449 -10.942 1.00 0.00 O ATOM 342 CB GLU A 23 -12.643 3.108 -11.137 1.00 0.00 C ATOM 343 CG GLU A 23 -12.987 3.293 -12.617 1.00 0.00 C ATOM 344 CD GLU A 23 -12.481 2.089 -13.412 1.00 0.00 C ATOM 345 OE1 GLU A 23 -11.275 1.921 -13.493 1.00 0.00 O ATOM 346 OE2 GLU A 23 -13.308 1.354 -13.928 1.00 0.00 O ATOM 0 H GLU A 23 -12.836 3.722 -8.781 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.818 3.022 -10.909 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.193 4.018 -10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.908 2.312 -11.020 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.065 3.397 -12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.533 4.209 -12.995 1.00 0.00 H new ATOM 353 N GLY A 24 -14.257 0.894 -8.852 1.00 0.00 N ATOM 354 CA GLY A 24 -14.314 -0.545 -8.507 1.00 0.00 C ATOM 355 C GLY A 24 -12.946 -0.986 -7.981 1.00 0.00 C ATOM 356 O GLY A 24 -12.738 -2.132 -7.635 1.00 0.00 O ATOM 0 H GLY A 24 -14.452 1.532 -8.081 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.082 -0.721 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.587 -1.132 -9.384 1.00 0.00 H new ATOM 360 N LYS A 25 -12.014 -0.073 -7.913 1.00 0.00 N ATOM 361 CA LYS A 25 -10.655 -0.413 -7.405 1.00 0.00 C ATOM 362 C LYS A 25 -10.665 -0.383 -5.876 1.00 0.00 C ATOM 363 O LYS A 25 -11.324 0.437 -5.274 1.00 0.00 O ATOM 364 CB LYS A 25 -9.756 0.693 -7.964 1.00 0.00 C ATOM 365 CG LYS A 25 -9.585 0.499 -9.472 1.00 0.00 C ATOM 366 CD LYS A 25 -8.569 1.510 -10.007 1.00 0.00 C ATOM 367 CE LYS A 25 -8.889 1.829 -11.469 1.00 0.00 C ATOM 368 NZ LYS A 25 -7.938 2.913 -11.843 1.00 0.00 N ATOM 0 H LYS A 25 -12.138 0.901 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.316 -1.405 -7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.194 1.670 -7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.784 0.670 -7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.249 -0.516 -9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.542 0.629 -9.977 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.598 2.421 -9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.560 1.106 -9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.757 0.952 -12.103 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.923 2.153 -11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.096 3.187 -12.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.092 3.737 -11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.962 2.573 -11.729 1.00 0.00 H new ATOM 382 N TYR A 26 -9.966 -1.276 -5.233 1.00 0.00 N ATOM 383 CA TYR A 26 -9.978 -1.271 -3.743 1.00 0.00 C ATOM 384 C TYR A 26 -8.558 -1.284 -3.170 1.00 0.00 C ATOM 385 O TYR A 26 -7.841 -2.260 -3.265 1.00 0.00 O ATOM 386 CB TYR A 26 -10.762 -2.522 -3.360 1.00 0.00 C ATOM 387 CG TYR A 26 -12.198 -2.327 -3.786 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.865 -1.143 -3.449 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.858 -3.316 -4.524 1.00 0.00 C ATOM 390 CE1 TYR A 26 -14.192 -0.947 -3.849 1.00 0.00 C ATOM 391 CE2 TYR A 26 -14.187 -3.119 -4.923 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.853 -1.935 -4.586 1.00 0.00 C ATOM 393 OH TYR A 26 -16.161 -1.743 -4.980 1.00 0.00 O ATOM 0 H TYR A 26 -9.394 -2.000 -5.667 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.435 -0.369 -3.337 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.337 -3.401 -3.846 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.704 -2.693 -2.285 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.355 -0.380 -2.880 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.344 -4.229 -4.786 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.705 -0.033 -3.589 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.698 -3.882 -5.491 1.00 0.00 H new ATOM 0 HH TYR A 26 -16.549 -0.999 -4.474 1.00 0.00 H new ATOM 403 N THR A 27 -8.164 -0.195 -2.567 1.00 0.00 N ATOM 404 CA THR A 27 -6.810 -0.095 -1.967 1.00 0.00 C ATOM 405 C THR A 27 -6.803 -0.724 -0.580 1.00 0.00 C ATOM 406 O THR A 27 -7.588 -0.378 0.280 1.00 0.00 O ATOM 407 CB THR A 27 -6.526 1.405 -1.877 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.752 2.005 -3.145 1.00 0.00 O ATOM 409 CG2 THR A 27 -5.072 1.629 -1.456 1.00 0.00 C ATOM 0 H THR A 27 -8.737 0.643 -2.465 1.00 0.00 H new ATOM 0 HA THR A 27 -6.057 -0.617 -2.557 1.00 0.00 H new ATOM 0 HB THR A 27 -7.188 1.856 -1.138 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.572 2.967 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.872 2.699 -1.393 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.900 1.169 -0.483 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.406 1.179 -2.192 1.00 0.00 H new ATOM 417 N PHE A 28 -5.921 -1.650 -0.365 1.00 0.00 N ATOM 418 CA PHE A 28 -5.841 -2.322 0.955 1.00 0.00 C ATOM 419 C PHE A 28 -4.469 -2.083 1.569 1.00 0.00 C ATOM 420 O PHE A 28 -3.549 -1.692 0.892 1.00 0.00 O ATOM 421 CB PHE A 28 -6.018 -3.804 0.652 1.00 0.00 C ATOM 422 CG PHE A 28 -7.364 -4.049 0.018 1.00 0.00 C ATOM 423 CD1 PHE A 28 -8.435 -3.186 0.278 1.00 0.00 C ATOM 424 CD2 PHE A 28 -7.537 -5.146 -0.833 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.682 -3.421 -0.314 1.00 0.00 C ATOM 426 CE2 PHE A 28 -8.785 -5.380 -1.425 1.00 0.00 C ATOM 427 CZ PHE A 28 -9.856 -4.519 -1.165 1.00 0.00 C ATOM 0 H PHE A 28 -5.244 -1.975 -1.055 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.589 -1.951 1.656 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.226 -4.143 -0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.930 -4.384 1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.300 -2.339 0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.710 -5.811 -1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.509 -2.756 -0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.920 -6.226 -2.083 1.00 0.00 H new ATOM 0 HZ PHE A 28 -10.818 -4.701 -1.621 1.00 0.00 H new ATOM 437 N TRP A 29 -4.315 -2.348 2.834 1.00 0.00 N ATOM 438 CA TRP A 29 -2.986 -2.173 3.470 1.00 0.00 C ATOM 439 C TRP A 29 -2.389 -3.560 3.623 1.00 0.00 C ATOM 440 O TRP A 29 -3.000 -4.442 4.194 1.00 0.00 O ATOM 441 CB TRP A 29 -3.257 -1.533 4.831 1.00 0.00 C ATOM 442 CG TRP A 29 -3.167 -0.046 4.706 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.050 0.829 5.237 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.160 0.755 4.016 1.00 0.00 C ATOM 445 NE1 TRP A 29 -3.652 2.116 4.920 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.493 2.122 4.169 1.00 0.00 C ATOM 447 CE3 TRP A 29 -1.002 0.433 3.281 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -1.708 3.133 3.615 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.207 1.450 2.719 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.562 2.798 2.888 1.00 0.00 C ATOM 0 H TRP A 29 -5.054 -2.679 3.454 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.296 -1.551 2.899 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.245 -1.820 5.190 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.535 -1.892 5.564 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.924 0.566 5.815 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.153 2.957 5.206 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.722 -0.602 3.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.984 4.169 3.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.678 1.193 2.156 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.050 3.576 2.456 1.00 0.00 H new ATOM 461 N VAL A 30 -1.239 -3.794 3.077 1.00 0.00 N ATOM 462 CA VAL A 30 -0.684 -5.157 3.159 1.00 0.00 C ATOM 463 C VAL A 30 0.841 -5.141 3.196 1.00 0.00 C ATOM 464 O VAL A 30 1.479 -4.149 2.905 1.00 0.00 O ATOM 465 CB VAL A 30 -1.211 -5.811 1.892 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.956 -4.902 0.688 1.00 0.00 C ATOM 467 CG2 VAL A 30 -0.517 -7.136 1.671 1.00 0.00 C ATOM 0 H VAL A 30 -0.666 -3.109 2.584 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.974 -5.687 4.066 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.283 -5.974 2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.337 -5.379 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.464 -3.949 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.115 -4.729 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.899 -7.600 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.556 -6.973 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.707 -7.792 2.520 1.00 0.00 H new ATOM 477 N HIS A 31 1.419 -6.245 3.569 1.00 0.00 N ATOM 478 CA HIS A 31 2.905 -6.330 3.653 1.00 0.00 C ATOM 479 C HIS A 31 3.536 -6.121 2.276 1.00 0.00 C ATOM 480 O HIS A 31 2.940 -6.429 1.264 1.00 0.00 O ATOM 481 CB HIS A 31 3.190 -7.743 4.161 1.00 0.00 C ATOM 482 CG HIS A 31 3.635 -7.681 5.596 1.00 0.00 C ATOM 483 ND1 HIS A 31 3.977 -8.816 6.315 1.00 0.00 N ATOM 484 CD2 HIS A 31 3.799 -6.626 6.460 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.326 -8.422 7.553 1.00 0.00 C ATOM 486 NE2 HIS A 31 4.236 -7.097 7.695 1.00 0.00 N ATOM 0 H HIS A 31 0.924 -7.100 3.822 1.00 0.00 H new ATOM 0 HA HIS A 31 3.322 -5.564 4.307 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.295 -8.360 4.073 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.961 -8.212 3.550 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.617 -5.589 6.218 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.641 -9.095 8.337 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.443 -6.548 8.529 1.00 0.00 H new ATOM 494 N PRO A 32 4.735 -5.605 2.294 1.00 0.00 N ATOM 495 CA PRO A 32 5.478 -5.348 1.037 1.00 0.00 C ATOM 496 C PRO A 32 5.974 -6.667 0.447 1.00 0.00 C ATOM 497 O PRO A 32 7.153 -6.959 0.459 1.00 0.00 O ATOM 498 CB PRO A 32 6.651 -4.488 1.488 1.00 0.00 C ATOM 499 CG PRO A 32 6.847 -4.821 2.932 1.00 0.00 C ATOM 500 CD PRO A 32 5.502 -5.215 3.482 1.00 0.00 C ATOM 0 HA PRO A 32 4.874 -4.868 0.267 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.547 -4.708 0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.437 -3.428 1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.563 -5.635 3.046 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.249 -3.965 3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.586 -6.038 4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.028 -4.387 4.009 1.00 0.00 H new ATOM 508 N LYS A 33 5.083 -7.475 -0.050 1.00 0.00 N ATOM 509 CA LYS A 33 5.509 -8.783 -0.617 1.00 0.00 C ATOM 510 C LYS A 33 4.295 -9.564 -1.121 1.00 0.00 C ATOM 511 O LYS A 33 4.373 -10.292 -2.091 1.00 0.00 O ATOM 512 CB LYS A 33 6.168 -9.517 0.554 1.00 0.00 C ATOM 513 CG LYS A 33 5.336 -9.313 1.828 1.00 0.00 C ATOM 514 CD LYS A 33 4.854 -10.670 2.345 1.00 0.00 C ATOM 515 CE LYS A 33 6.049 -11.474 2.863 1.00 0.00 C ATOM 516 NZ LYS A 33 5.872 -12.837 2.290 1.00 0.00 N ATOM 0 H LYS A 33 4.081 -7.288 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 33 6.184 -8.668 -1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.251 -10.580 0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.181 -9.144 0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.934 -8.813 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.483 -8.668 1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.124 -10.529 3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.352 -11.218 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.992 -11.030 2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.063 -11.502 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.654 -13.448 2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.969 -13.237 2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.869 -12.779 1.252 1.00 0.00 H new ATOM 530 N ALA A 34 3.175 -9.422 -0.465 1.00 0.00 N ATOM 531 CA ALA A 34 1.956 -10.161 -0.899 1.00 0.00 C ATOM 532 C ALA A 34 1.838 -10.135 -2.426 1.00 0.00 C ATOM 533 O ALA A 34 1.376 -9.173 -3.005 1.00 0.00 O ATOM 534 CB ALA A 34 0.788 -9.412 -0.258 1.00 0.00 C ATOM 0 H ALA A 34 3.052 -8.826 0.353 1.00 0.00 H new ATOM 0 HA ALA A 34 1.980 -11.209 -0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.149 -9.897 -0.531 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.900 -9.423 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.779 -8.381 -0.611 1.00 0.00 H new ATOM 540 N THR A 35 2.259 -11.185 -3.080 1.00 0.00 N ATOM 541 CA THR A 35 2.175 -11.222 -4.570 1.00 0.00 C ATOM 542 C THR A 35 0.844 -10.633 -5.042 1.00 0.00 C ATOM 543 O THR A 35 -0.197 -10.890 -4.470 1.00 0.00 O ATOM 544 CB THR A 35 2.263 -12.706 -4.934 1.00 0.00 C ATOM 545 OG1 THR A 35 1.819 -13.489 -3.835 1.00 0.00 O ATOM 546 CG2 THR A 35 3.711 -13.065 -5.269 1.00 0.00 C ATOM 0 H THR A 35 2.657 -12.018 -2.647 1.00 0.00 H new ATOM 0 HA THR A 35 2.965 -10.637 -5.042 1.00 0.00 H new ATOM 0 HB THR A 35 1.632 -12.907 -5.800 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.198 -14.390 -3.901 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.773 -14.122 -5.528 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.049 -12.464 -6.113 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.345 -12.865 -4.405 1.00 0.00 H new ATOM 554 N LYS A 36 0.870 -9.843 -6.082 1.00 0.00 N ATOM 555 CA LYS A 36 -0.393 -9.238 -6.590 1.00 0.00 C ATOM 556 C LYS A 36 -1.514 -10.279 -6.590 1.00 0.00 C ATOM 557 O LYS A 36 -2.659 -9.973 -6.324 1.00 0.00 O ATOM 558 CB LYS A 36 -0.072 -8.792 -8.017 1.00 0.00 C ATOM 559 CG LYS A 36 0.853 -7.573 -7.973 1.00 0.00 C ATOM 560 CD LYS A 36 0.461 -6.593 -9.079 1.00 0.00 C ATOM 561 CE LYS A 36 0.191 -5.218 -8.467 1.00 0.00 C ATOM 562 NZ LYS A 36 0.173 -4.278 -9.623 1.00 0.00 N ATOM 0 H LYS A 36 1.711 -9.591 -6.601 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.733 -8.407 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.405 -9.605 -8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.991 -8.546 -8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.784 -7.086 -7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.890 -7.885 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.259 -6.524 -9.818 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.426 -6.952 -9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.759 -5.204 -7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.965 -4.946 -7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.282 -3.303 -9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.955 -4.507 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.731 -4.367 -10.129 1.00 0.00 H new ATOM 576 N THR A 37 -1.192 -11.511 -6.882 1.00 0.00 N ATOM 577 CA THR A 37 -2.239 -12.570 -6.893 1.00 0.00 C ATOM 578 C THR A 37 -2.620 -12.946 -5.457 1.00 0.00 C ATOM 579 O THR A 37 -3.763 -13.229 -5.161 1.00 0.00 O ATOM 580 CB THR A 37 -1.599 -13.747 -7.617 1.00 0.00 C ATOM 581 OG1 THR A 37 -1.670 -13.533 -9.019 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.326 -15.046 -7.260 1.00 0.00 C ATOM 0 H THR A 37 -0.250 -11.828 -7.113 1.00 0.00 H new ATOM 0 HA THR A 37 -3.157 -12.248 -7.385 1.00 0.00 H new ATOM 0 HB THR A 37 -0.557 -13.830 -7.310 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.257 -14.289 -9.487 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.859 -15.880 -7.784 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.265 -15.213 -6.185 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.372 -14.971 -7.557 1.00 0.00 H new ATOM 590 N GLU A 38 -1.668 -12.948 -4.563 1.00 0.00 N ATOM 591 CA GLU A 38 -1.977 -13.301 -3.148 1.00 0.00 C ATOM 592 C GLU A 38 -3.080 -12.388 -2.610 1.00 0.00 C ATOM 593 O GLU A 38 -4.027 -12.837 -1.997 1.00 0.00 O ATOM 594 CB GLU A 38 -0.671 -13.074 -2.386 1.00 0.00 C ATOM 595 CG GLU A 38 -0.087 -14.421 -1.957 1.00 0.00 C ATOM 596 CD GLU A 38 0.685 -14.249 -0.647 1.00 0.00 C ATOM 597 OE1 GLU A 38 1.162 -13.153 -0.404 1.00 0.00 O ATOM 598 OE2 GLU A 38 0.786 -15.216 0.089 1.00 0.00 O ATOM 0 H GLU A 38 -0.692 -12.721 -4.751 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.332 -14.326 -3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.041 -12.541 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.852 -12.450 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.886 -15.151 -1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.574 -14.806 -2.733 1.00 0.00 H new ATOM 605 N ILE A 39 -2.968 -11.110 -2.844 1.00 0.00 N ATOM 606 CA ILE A 39 -4.015 -10.169 -2.354 1.00 0.00 C ATOM 607 C ILE A 39 -5.379 -10.581 -2.918 1.00 0.00 C ATOM 608 O ILE A 39 -6.410 -10.364 -2.312 1.00 0.00 O ATOM 609 CB ILE A 39 -3.607 -8.802 -2.908 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.396 -8.270 -2.134 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.774 -7.826 -2.760 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.434 -7.577 -3.102 1.00 0.00 C ATOM 0 H ILE A 39 -2.198 -10.676 -3.353 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.096 -10.162 -1.267 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.345 -8.903 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.722 -7.570 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.888 -9.089 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.486 -6.852 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.635 -8.201 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.035 -7.728 -1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.573 -7.199 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.098 -8.291 -3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.945 -6.747 -3.591 1.00 0.00 H new ATOM 624 N LYS A 40 -5.381 -11.166 -4.084 1.00 0.00 N ATOM 625 CA LYS A 40 -6.662 -11.593 -4.722 1.00 0.00 C ATOM 626 C LYS A 40 -7.375 -12.658 -3.882 1.00 0.00 C ATOM 627 O LYS A 40 -8.564 -12.583 -3.649 1.00 0.00 O ATOM 628 CB LYS A 40 -6.232 -12.188 -6.062 1.00 0.00 C ATOM 629 CG LYS A 40 -7.455 -12.377 -6.959 1.00 0.00 C ATOM 630 CD LYS A 40 -7.027 -12.310 -8.426 1.00 0.00 C ATOM 631 CE LYS A 40 -8.196 -12.730 -9.321 1.00 0.00 C ATOM 632 NZ LYS A 40 -7.739 -13.980 -9.990 1.00 0.00 N ATOM 0 H LYS A 40 -4.543 -11.369 -4.628 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.362 -10.764 -4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.511 -11.531 -6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.735 -13.145 -5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.927 -13.337 -6.750 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.196 -11.605 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.709 -11.298 -8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.172 -12.964 -8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.099 -12.903 -8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.433 -11.956 -10.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.488 -14.330 -10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.882 -13.783 -10.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.528 -14.701 -9.271 1.00 0.00 H new ATOM 646 N ASN A 41 -6.663 -13.660 -3.452 1.00 0.00 N ATOM 647 CA ASN A 41 -7.300 -14.751 -2.655 1.00 0.00 C ATOM 648 C ASN A 41 -7.829 -14.238 -1.310 1.00 0.00 C ATOM 649 O ASN A 41 -8.829 -14.715 -0.811 1.00 0.00 O ATOM 650 CB ASN A 41 -6.185 -15.771 -2.431 1.00 0.00 C ATOM 651 CG ASN A 41 -5.932 -16.545 -3.726 1.00 0.00 C ATOM 652 OD1 ASN A 41 -6.861 -16.930 -4.410 1.00 0.00 O ATOM 653 ND2 ASN A 41 -4.705 -16.793 -4.095 1.00 0.00 N ATOM 0 H ASN A 41 -5.663 -13.774 -3.617 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.161 -15.172 -3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.273 -15.265 -2.114 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.462 -16.459 -1.632 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.526 -17.309 -4.956 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.925 -16.471 -3.522 1.00 0.00 H new ATOM 660 N ALA A 42 -7.161 -13.296 -0.705 1.00 0.00 N ATOM 661 CA ALA A 42 -7.631 -12.795 0.621 1.00 0.00 C ATOM 662 C ALA A 42 -8.892 -11.933 0.487 1.00 0.00 C ATOM 663 O ALA A 42 -9.858 -12.132 1.197 1.00 0.00 O ATOM 664 CB ALA A 42 -6.467 -11.973 1.176 1.00 0.00 C ATOM 0 H ALA A 42 -6.316 -12.853 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.904 -13.618 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.738 -11.571 2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.588 -12.609 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.244 -11.152 0.495 1.00 0.00 H new ATOM 670 N VAL A 43 -8.902 -10.973 -0.398 1.00 0.00 N ATOM 671 CA VAL A 43 -10.118 -10.118 -0.526 1.00 0.00 C ATOM 672 C VAL A 43 -11.269 -10.903 -1.159 1.00 0.00 C ATOM 673 O VAL A 43 -12.425 -10.638 -0.898 1.00 0.00 O ATOM 674 CB VAL A 43 -9.711 -8.943 -1.411 1.00 0.00 C ATOM 675 CG1 VAL A 43 -8.676 -8.099 -0.674 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.117 -9.457 -2.721 1.00 0.00 C ATOM 0 H VAL A 43 -8.134 -10.745 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.471 -9.779 0.448 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.589 -8.337 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.380 -7.257 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.106 -7.726 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.801 -8.710 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.829 -8.612 -3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.239 -10.066 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.859 -10.060 -3.245 1.00 0.00 H new ATOM 686 N GLU A 44 -10.975 -11.875 -1.978 1.00 0.00 N ATOM 687 CA GLU A 44 -12.076 -12.663 -2.601 1.00 0.00 C ATOM 688 C GLU A 44 -12.956 -13.256 -1.500 1.00 0.00 C ATOM 689 O GLU A 44 -14.160 -13.097 -1.499 1.00 0.00 O ATOM 690 CB GLU A 44 -11.385 -13.771 -3.397 1.00 0.00 C ATOM 691 CG GLU A 44 -11.773 -13.656 -4.872 1.00 0.00 C ATOM 692 CD GLU A 44 -12.590 -14.883 -5.282 1.00 0.00 C ATOM 693 OE1 GLU A 44 -12.326 -15.950 -4.753 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.467 -14.734 -6.116 1.00 0.00 O ATOM 0 H GLU A 44 -10.030 -12.156 -2.241 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.715 -12.057 -3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.303 -13.692 -3.287 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.675 -14.747 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.353 -12.748 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.878 -13.579 -5.489 1.00 0.00 H new ATOM 701 N THR A 45 -12.359 -13.926 -0.554 1.00 0.00 N ATOM 702 CA THR A 45 -13.153 -14.515 0.560 1.00 0.00 C ATOM 703 C THR A 45 -13.491 -13.429 1.584 1.00 0.00 C ATOM 704 O THR A 45 -14.607 -13.324 2.053 1.00 0.00 O ATOM 705 CB THR A 45 -12.238 -15.569 1.182 1.00 0.00 C ATOM 706 OG1 THR A 45 -11.140 -14.926 1.814 1.00 0.00 O ATOM 707 CG2 THR A 45 -11.723 -16.509 0.091 1.00 0.00 C ATOM 0 H THR A 45 -11.354 -14.091 -0.504 1.00 0.00 H new ATOM 0 HA THR A 45 -14.095 -14.945 0.220 1.00 0.00 H new ATOM 0 HB THR A 45 -12.796 -16.145 1.920 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.553 -15.600 2.215 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.071 -17.260 0.536 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.566 -17.002 -0.393 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.164 -15.936 -0.649 1.00 0.00 H new ATOM 715 N ALA A 46 -12.527 -12.622 1.933 1.00 0.00 N ATOM 716 CA ALA A 46 -12.774 -11.537 2.926 1.00 0.00 C ATOM 717 C ALA A 46 -13.839 -10.566 2.407 1.00 0.00 C ATOM 718 O ALA A 46 -14.919 -10.466 2.957 1.00 0.00 O ATOM 719 CB ALA A 46 -11.430 -10.825 3.076 1.00 0.00 C ATOM 0 H ALA A 46 -11.574 -12.667 1.572 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.140 -11.927 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.528 -10.010 3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.681 -11.533 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.121 -10.424 2.111 1.00 0.00 H new ATOM 725 N PHE A 47 -13.546 -9.849 1.356 1.00 0.00 N ATOM 726 CA PHE A 47 -14.549 -8.887 0.813 1.00 0.00 C ATOM 727 C PHE A 47 -15.694 -9.648 0.139 1.00 0.00 C ATOM 728 O PHE A 47 -16.784 -9.135 -0.029 1.00 0.00 O ATOM 729 CB PHE A 47 -13.783 -8.042 -0.205 1.00 0.00 C ATOM 730 CG PHE A 47 -13.059 -6.928 0.513 1.00 0.00 C ATOM 731 CD1 PHE A 47 -13.789 -5.921 1.156 1.00 0.00 C ATOM 732 CD2 PHE A 47 -11.660 -6.901 0.539 1.00 0.00 C ATOM 733 CE1 PHE A 47 -13.121 -4.888 1.823 1.00 0.00 C ATOM 734 CE2 PHE A 47 -10.991 -5.868 1.206 1.00 0.00 C ATOM 735 CZ PHE A 47 -11.721 -4.862 1.849 1.00 0.00 C ATOM 0 H PHE A 47 -12.660 -9.887 0.852 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.996 -8.269 1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.071 -8.663 -0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.471 -7.628 -0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.869 -5.942 1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.096 -7.678 0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.685 -4.111 2.318 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.911 -5.847 1.224 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.205 -4.066 2.365 1.00 0.00 H new ATOM 745 N LYS A 48 -15.455 -10.873 -0.241 1.00 0.00 N ATOM 746 CA LYS A 48 -16.521 -11.686 -0.897 1.00 0.00 C ATOM 747 C LYS A 48 -16.927 -11.062 -2.231 1.00 0.00 C ATOM 748 O LYS A 48 -18.093 -10.907 -2.530 1.00 0.00 O ATOM 749 CB LYS A 48 -17.696 -11.679 0.083 1.00 0.00 C ATOM 750 CG LYS A 48 -17.780 -13.035 0.787 1.00 0.00 C ATOM 751 CD LYS A 48 -19.247 -13.419 0.985 1.00 0.00 C ATOM 752 CE LYS A 48 -19.396 -14.216 2.284 1.00 0.00 C ATOM 753 NZ LYS A 48 -20.696 -14.929 2.150 1.00 0.00 N ATOM 0 H LYS A 48 -14.561 -11.350 -0.125 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.183 -12.699 -1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.567 -10.883 0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.626 -11.475 -0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.271 -13.796 0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.272 -12.988 1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -19.867 -12.523 1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.596 -14.012 0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -18.572 -14.918 2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.394 -13.558 3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.869 -15.498 3.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -21.462 -14.235 2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -20.666 -15.553 1.318 1.00 0.00 H new ATOM 767 N VAL A 49 -15.966 -10.706 -3.033 1.00 0.00 N ATOM 768 CA VAL A 49 -16.280 -10.094 -4.346 1.00 0.00 C ATOM 769 C VAL A 49 -15.495 -10.803 -5.457 1.00 0.00 C ATOM 770 O VAL A 49 -14.984 -11.890 -5.276 1.00 0.00 O ATOM 771 CB VAL A 49 -15.854 -8.627 -4.188 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.505 -8.353 -4.865 1.00 0.00 C ATOM 773 CG2 VAL A 49 -16.925 -7.741 -4.803 1.00 0.00 C ATOM 0 H VAL A 49 -14.972 -10.814 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.331 -10.178 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.739 -8.410 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.237 -7.305 -4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.738 -8.983 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.580 -8.576 -5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.636 -6.695 -4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.035 -7.983 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.873 -7.908 -4.292 1.00 0.00 H new ATOM 783 N LYS A 50 -15.389 -10.185 -6.597 1.00 0.00 N ATOM 784 CA LYS A 50 -14.628 -10.811 -7.714 1.00 0.00 C ATOM 785 C LYS A 50 -13.438 -9.928 -8.090 1.00 0.00 C ATOM 786 O LYS A 50 -13.594 -8.876 -8.678 1.00 0.00 O ATOM 787 CB LYS A 50 -15.615 -10.905 -8.877 1.00 0.00 C ATOM 788 CG LYS A 50 -15.194 -12.044 -9.807 1.00 0.00 C ATOM 789 CD LYS A 50 -14.143 -11.536 -10.795 1.00 0.00 C ATOM 790 CE LYS A 50 -14.381 -12.171 -12.167 1.00 0.00 C ATOM 791 NZ LYS A 50 -13.556 -11.366 -13.112 1.00 0.00 N ATOM 0 H LYS A 50 -15.796 -9.273 -6.805 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.232 -11.790 -7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.623 -11.081 -8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.640 -9.963 -9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.790 -12.872 -9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.061 -12.426 -10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.196 -10.450 -10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.143 -11.782 -10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.081 -13.219 -12.175 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.436 -12.140 -12.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.170 -10.951 -13.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.074 -10.606 -12.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.848 -11.979 -13.563 1.00 0.00 H new ATOM 805 N VAL A 51 -12.250 -10.344 -7.754 1.00 0.00 N ATOM 806 CA VAL A 51 -11.055 -9.525 -8.091 1.00 0.00 C ATOM 807 C VAL A 51 -10.686 -9.712 -9.562 1.00 0.00 C ATOM 808 O VAL A 51 -10.393 -10.804 -10.006 1.00 0.00 O ATOM 809 CB VAL A 51 -9.943 -10.056 -7.190 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.600 -9.485 -7.650 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.211 -9.628 -5.746 1.00 0.00 C ATOM 0 H VAL A 51 -12.055 -11.215 -7.261 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.229 -8.460 -7.939 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.915 -11.144 -7.248 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.805 -9.863 -7.008 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.410 -9.788 -8.680 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.628 -8.397 -7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.418 -10.006 -5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.238 -8.540 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.169 -10.032 -5.418 1.00 0.00 H new ATOM 821 N VAL A 52 -10.696 -8.653 -10.322 1.00 0.00 N ATOM 822 CA VAL A 52 -10.344 -8.768 -11.763 1.00 0.00 C ATOM 823 C VAL A 52 -9.025 -8.043 -12.040 1.00 0.00 C ATOM 824 O VAL A 52 -8.591 -7.935 -13.169 1.00 0.00 O ATOM 825 CB VAL A 52 -11.500 -8.097 -12.505 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.659 -6.659 -12.018 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.206 -8.080 -14.000 1.00 0.00 C ATOM 0 H VAL A 52 -10.933 -7.712 -10.007 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.207 -9.802 -12.079 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.417 -8.655 -12.313 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.484 -6.184 -12.549 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.868 -6.658 -10.948 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.739 -6.107 -12.208 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.031 -7.601 -14.528 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.287 -7.524 -14.184 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.090 -9.102 -14.360 1.00 0.00 H new ATOM 837 N LYS A 53 -8.382 -7.547 -11.016 1.00 0.00 N ATOM 838 CA LYS A 53 -7.090 -6.831 -11.219 1.00 0.00 C ATOM 839 C LYS A 53 -6.638 -6.174 -9.912 1.00 0.00 C ATOM 840 O LYS A 53 -7.324 -5.338 -9.359 1.00 0.00 O ATOM 841 CB LYS A 53 -7.391 -5.765 -12.273 1.00 0.00 C ATOM 842 CG LYS A 53 -6.731 -6.154 -13.597 1.00 0.00 C ATOM 843 CD LYS A 53 -6.079 -4.921 -14.224 1.00 0.00 C ATOM 844 CE LYS A 53 -4.897 -5.354 -15.094 1.00 0.00 C ATOM 845 NZ LYS A 53 -3.795 -5.637 -14.131 1.00 0.00 N ATOM 0 H LYS A 53 -8.697 -7.607 -10.048 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.291 -7.503 -11.532 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.468 -5.665 -12.407 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.020 -4.795 -11.941 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.982 -6.928 -13.429 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.474 -6.571 -14.277 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.808 -4.378 -14.826 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.739 -4.240 -13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.143 -6.237 -15.683 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.616 -4.570 -15.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.014 -4.969 -14.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.148 -5.531 -13.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.453 -6.609 -14.271 1.00 0.00 H new ATOM 859 N VAL A 54 -5.485 -6.536 -9.417 1.00 0.00 N ATOM 860 CA VAL A 54 -4.998 -5.919 -8.150 1.00 0.00 C ATOM 861 C VAL A 54 -3.720 -5.116 -8.412 1.00 0.00 C ATOM 862 O VAL A 54 -2.823 -5.558 -9.100 1.00 0.00 O ATOM 863 CB VAL A 54 -4.742 -7.101 -7.189 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.336 -7.025 -6.580 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.761 -7.050 -6.053 1.00 0.00 C ATOM 0 H VAL A 54 -4.862 -7.229 -9.833 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.717 -5.219 -7.724 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.833 -8.028 -7.756 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.184 -7.870 -5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.592 -7.057 -7.376 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.231 -6.094 -6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.587 -7.882 -5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.657 -6.109 -5.513 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.768 -7.123 -6.464 1.00 0.00 H new ATOM 875 N ASN A 55 -3.632 -3.945 -7.851 1.00 0.00 N ATOM 876 CA ASN A 55 -2.414 -3.116 -8.044 1.00 0.00 C ATOM 877 C ASN A 55 -1.927 -2.605 -6.692 1.00 0.00 C ATOM 878 O ASN A 55 -2.608 -1.861 -6.016 1.00 0.00 O ATOM 879 CB ASN A 55 -2.854 -1.957 -8.939 1.00 0.00 C ATOM 880 CG ASN A 55 -1.778 -1.685 -9.992 1.00 0.00 C ATOM 881 OD1 ASN A 55 -0.850 -0.940 -9.749 1.00 0.00 O ATOM 882 ND2 ASN A 55 -1.864 -2.261 -11.159 1.00 0.00 N ATOM 0 H ASN A 55 -4.354 -3.525 -7.265 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.592 -3.674 -8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.800 -2.198 -9.425 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.023 -1.064 -8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.152 -2.086 -11.868 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.643 -2.887 -11.363 1.00 0.00 H new ATOM 889 N THR A 56 -0.756 -3.000 -6.284 1.00 0.00 N ATOM 890 CA THR A 56 -0.243 -2.532 -4.969 1.00 0.00 C ATOM 891 C THR A 56 0.978 -1.633 -5.177 1.00 0.00 C ATOM 892 O THR A 56 1.537 -1.571 -6.254 1.00 0.00 O ATOM 893 CB THR A 56 0.127 -3.792 -4.154 1.00 0.00 C ATOM 894 OG1 THR A 56 1.523 -3.792 -3.896 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.248 -5.076 -4.907 1.00 0.00 C ATOM 0 H THR A 56 -0.135 -3.623 -6.800 1.00 0.00 H new ATOM 0 HA THR A 56 -0.991 -1.945 -4.436 1.00 0.00 H new ATOM 0 HB THR A 56 -0.432 -3.768 -3.219 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.973 -4.390 -4.529 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.026 -5.943 -4.306 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.322 -5.088 -5.093 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.286 -5.110 -5.857 1.00 0.00 H new ATOM 903 N LEU A 57 1.385 -0.921 -4.161 1.00 0.00 N ATOM 904 CA LEU A 57 2.557 -0.011 -4.314 1.00 0.00 C ATOM 905 C LEU A 57 3.267 0.184 -2.973 1.00 0.00 C ATOM 906 O LEU A 57 2.640 0.215 -1.934 1.00 0.00 O ATOM 907 CB LEU A 57 1.952 1.312 -4.785 1.00 0.00 C ATOM 908 CG LEU A 57 1.276 2.020 -3.608 1.00 0.00 C ATOM 909 CD1 LEU A 57 2.318 2.827 -2.832 1.00 0.00 C ATOM 910 CD2 LEU A 57 0.191 2.962 -4.137 1.00 0.00 C ATOM 0 H LEU A 57 0.958 -0.930 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 57 3.299 -0.407 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.730 1.949 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.226 1.129 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 57 0.825 1.279 -2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.837 3.331 -1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.092 2.157 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.769 3.569 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.292 3.467 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.642 3.703 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.551 2.387 -4.691 1.00 0.00 H new ATOM 922 N HIS A 58 4.564 0.338 -2.982 1.00 0.00 N ATOM 923 CA HIS A 58 5.279 0.550 -1.694 1.00 0.00 C ATOM 924 C HIS A 58 5.180 2.018 -1.284 1.00 0.00 C ATOM 925 O HIS A 58 5.565 2.911 -2.013 1.00 0.00 O ATOM 926 CB HIS A 58 6.728 0.149 -1.939 1.00 0.00 C ATOM 927 CG HIS A 58 7.238 -0.551 -0.713 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.261 -1.485 -0.763 1.00 0.00 N ATOM 929 CD2 HIS A 58 6.860 -0.476 0.607 1.00 0.00 C ATOM 930 CE1 HIS A 58 8.461 -1.933 0.491 1.00 0.00 C ATOM 931 NE2 HIS A 58 7.634 -1.352 1.364 1.00 0.00 N ATOM 0 H HIS A 58 5.152 0.326 -3.815 1.00 0.00 H new ATOM 0 HA HIS A 58 4.847 -0.041 -0.887 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.799 -0.506 -2.807 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.334 1.029 -2.153 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.082 0.164 0.997 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.201 -2.673 0.759 1.00 0.00 H new ATOM 0 HE2 HIS A 58 7.581 -1.515 2.369 1.00 0.00 H new ATOM 939 N VAL A 59 4.643 2.262 -0.128 1.00 0.00 N ATOM 940 CA VAL A 59 4.477 3.662 0.357 1.00 0.00 C ATOM 941 C VAL A 59 5.211 3.858 1.680 1.00 0.00 C ATOM 942 O VAL A 59 5.147 3.028 2.564 1.00 0.00 O ATOM 943 CB VAL A 59 2.974 3.815 0.551 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.410 2.557 1.163 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.674 5.016 1.452 1.00 0.00 C ATOM 0 H VAL A 59 4.306 1.544 0.513 1.00 0.00 H new ATOM 0 HA VAL A 59 4.885 4.397 -0.336 1.00 0.00 H new ATOM 0 HB VAL A 59 2.507 3.983 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.335 2.670 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.605 1.712 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.883 2.379 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.596 5.113 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.145 4.868 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.067 5.923 0.992 1.00 0.00 H new ATOM 1245 N ARG A 76 5.775 -0.011 3.503 1.00 0.00 N ATOM 1246 CA ARG A 76 4.319 -0.270 3.616 1.00 0.00 C ATOM 1247 C ARG A 76 3.736 -0.351 2.206 1.00 0.00 C ATOM 1248 O ARG A 76 4.002 0.486 1.371 1.00 0.00 O ATOM 1249 CB ARG A 76 3.800 0.934 4.424 1.00 0.00 C ATOM 1250 CG ARG A 76 2.412 1.386 3.959 1.00 0.00 C ATOM 1251 CD ARG A 76 2.305 2.898 4.161 1.00 0.00 C ATOM 1252 NE ARG A 76 1.171 3.079 5.110 1.00 0.00 N ATOM 1253 CZ ARG A 76 1.058 4.190 5.786 1.00 0.00 C ATOM 1254 NH1 ARG A 76 1.728 5.248 5.421 1.00 0.00 N ATOM 1255 NH2 ARG A 76 0.274 4.240 6.829 1.00 0.00 N ATOM 0 HA ARG A 76 4.047 -1.204 4.107 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.760 0.670 5.481 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.501 1.763 4.329 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.262 1.132 2.910 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.636 0.872 4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.229 3.309 4.567 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.116 3.410 3.218 1.00 0.00 H new ATOM 0 HE ARG A 76 0.483 2.335 5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.341 5.208 4.607 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.639 6.116 5.950 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.249 3.412 7.114 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.184 5.107 7.359 1.00 0.00 H new ATOM 1269 N LYS A 77 2.969 -1.361 1.915 1.00 0.00 N ATOM 1270 CA LYS A 77 2.409 -1.470 0.540 1.00 0.00 C ATOM 1271 C LYS A 77 0.880 -1.560 0.583 1.00 0.00 C ATOM 1272 O LYS A 77 0.313 -2.348 1.315 1.00 0.00 O ATOM 1273 CB LYS A 77 3.061 -2.736 -0.056 1.00 0.00 C ATOM 1274 CG LYS A 77 2.051 -3.886 -0.187 1.00 0.00 C ATOM 1275 CD LYS A 77 2.633 -4.970 -1.097 1.00 0.00 C ATOM 1276 CE LYS A 77 1.522 -5.933 -1.521 1.00 0.00 C ATOM 1277 NZ LYS A 77 2.118 -6.749 -2.615 1.00 0.00 N ATOM 0 H LYS A 77 2.707 -2.107 2.559 1.00 0.00 H new ATOM 0 HA LYS A 77 2.625 -0.596 -0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.478 -2.504 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.891 -3.051 0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.827 -4.302 0.795 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.112 -3.515 -0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.089 -4.515 -1.976 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.420 -5.514 -0.575 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.204 -6.561 -0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.641 -5.392 -1.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.544 -7.604 -2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.139 -6.191 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.087 -7.023 -2.355 1.00 0.00 H new ATOM 1291 N LYS A 78 0.213 -0.770 -0.212 1.00 0.00 N ATOM 1292 CA LYS A 78 -1.275 -0.823 -0.233 1.00 0.00 C ATOM 1293 C LYS A 78 -1.726 -1.614 -1.464 1.00 0.00 C ATOM 1294 O LYS A 78 -1.029 -1.659 -2.453 1.00 0.00 O ATOM 1295 CB LYS A 78 -1.736 0.633 -0.315 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.090 1.310 -1.524 1.00 0.00 C ATOM 1297 CD LYS A 78 -1.799 2.635 -1.802 1.00 0.00 C ATOM 1298 CE LYS A 78 -1.102 3.758 -1.031 1.00 0.00 C ATOM 1299 NZ LYS A 78 -1.981 4.948 -1.204 1.00 0.00 N ATOM 0 H LYS A 78 0.633 -0.091 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.695 -1.313 0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.822 0.677 -0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.465 1.162 0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.031 1.484 -1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.155 0.660 -2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.785 2.850 -2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.845 2.569 -1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.988 3.502 0.022 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.103 3.945 -1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.568 5.760 -0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.066 5.173 -2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.923 4.743 -0.815 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.862 -2.263 -1.415 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.295 -3.065 -2.604 1.00 0.00 C ATOM 1315 C ALA A 79 -4.578 -2.541 -3.230 1.00 0.00 C ATOM 1316 O ALA A 79 -5.620 -2.522 -2.610 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.547 -4.466 -2.077 1.00 0.00 C ATOM 0 H ALA A 79 -3.500 -2.275 -0.619 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.529 -3.019 -3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.868 -5.110 -2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.629 -4.862 -1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.325 -4.433 -1.314 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.512 -2.161 -4.473 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.730 -1.674 -5.169 1.00 0.00 C ATOM 1325 C ILE A 80 -6.337 -2.820 -5.975 1.00 0.00 C ATOM 1326 O ILE A 80 -5.761 -3.294 -6.931 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.249 -0.557 -6.086 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.966 0.694 -5.254 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.332 -0.246 -7.120 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.940 0.381 -4.165 1.00 0.00 C ATOM 0 H ILE A 80 -3.663 -2.167 -5.038 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.497 -1.316 -4.482 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.338 -0.870 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.593 1.491 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.889 1.055 -4.801 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.989 0.553 -7.777 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.538 -1.138 -7.711 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.242 0.069 -6.610 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.746 1.279 -3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.329 -0.401 -3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.012 0.041 -4.626 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.485 -3.282 -5.583 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.112 -4.418 -6.316 1.00 0.00 C ATOM 1344 C VAL A 81 -9.340 -3.958 -7.098 1.00 0.00 C ATOM 1345 O VAL A 81 -10.202 -3.278 -6.578 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.514 -5.411 -5.226 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -8.855 -6.760 -5.862 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.350 -5.587 -4.248 1.00 0.00 C ATOM 0 H VAL A 81 -8.018 -2.926 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.430 -4.854 -7.046 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.386 -5.033 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.141 -7.467 -5.084 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.682 -6.634 -6.560 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.984 -7.141 -6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.633 -6.295 -3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.479 -5.966 -4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.107 -4.626 -3.794 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.434 -4.340 -8.341 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.612 -3.945 -9.151 1.00 0.00 C ATOM 1360 C GLN A 82 -11.541 -5.135 -9.276 1.00 0.00 C ATOM 1361 O GLN A 82 -11.105 -6.269 -9.278 1.00 0.00 O ATOM 1362 CB GLN A 82 -10.043 -3.578 -10.519 1.00 0.00 C ATOM 1363 CG GLN A 82 -11.169 -3.432 -11.542 1.00 0.00 C ATOM 1364 CD GLN A 82 -11.373 -1.953 -11.873 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -11.006 -1.501 -12.940 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -11.946 -1.175 -10.997 1.00 0.00 N ATOM 0 H GLN A 82 -8.743 -4.910 -8.829 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.174 -3.121 -8.712 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.483 -2.645 -10.449 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.343 -4.346 -10.847 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.925 -3.987 -12.448 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.091 -3.857 -11.146 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.254 -1.555 -10.102 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.086 -0.187 -11.207 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.811 -4.904 -9.392 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.725 -6.055 -9.537 1.00 0.00 C ATOM 1377 C VAL A 83 -14.407 -6.002 -10.897 1.00 0.00 C ATOM 1378 O VAL A 83 -14.510 -4.964 -11.520 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.752 -5.975 -8.407 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.089 -5.457 -7.133 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.896 -5.044 -8.814 1.00 0.00 C ATOM 0 H VAL A 83 -13.250 -3.983 -9.393 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.180 -6.997 -9.476 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.151 -6.972 -8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.828 -5.403 -6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.286 -6.133 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.678 -4.464 -7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.626 -4.990 -8.006 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.501 -4.048 -9.014 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.377 -5.430 -9.712 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.875 -7.115 -11.351 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.559 -7.151 -12.665 1.00 0.00 C ATOM 1393 C ALA A 84 -16.967 -6.575 -12.538 1.00 0.00 C ATOM 1394 O ALA A 84 -17.374 -6.155 -11.473 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.612 -8.629 -13.003 1.00 0.00 C ATOM 0 H ALA A 84 -14.815 -8.011 -10.868 1.00 0.00 H new ATOM 0 HA ALA A 84 -15.051 -6.564 -13.431 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.104 -8.765 -13.966 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.599 -9.027 -13.054 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.171 -9.159 -12.232 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.669 -6.590 -13.631 1.00 0.00 N ATOM 1402 CA PRO A 85 -19.056 -6.078 -13.649 1.00 0.00 C ATOM 1403 C PRO A 85 -19.979 -7.047 -12.910 1.00 0.00 C ATOM 1404 O PRO A 85 -19.898 -8.248 -13.076 1.00 0.00 O ATOM 1405 CB PRO A 85 -19.397 -6.014 -15.133 1.00 0.00 C ATOM 1406 CG PRO A 85 -18.494 -7.001 -15.780 1.00 0.00 C ATOM 1407 CD PRO A 85 -17.242 -7.081 -14.942 1.00 0.00 C ATOM 0 HA PRO A 85 -19.170 -5.112 -13.157 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -20.444 -6.263 -15.308 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -19.237 -5.012 -15.532 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.975 -7.977 -15.846 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -18.256 -6.694 -16.798 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.864 -8.102 -14.883 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.442 -6.468 -15.358 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.848 -6.533 -12.091 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.774 -7.421 -11.331 1.00 0.00 C ATOM 1417 C GLY A 86 -21.452 -7.336 -9.836 1.00 0.00 C ATOM 1418 O GLY A 86 -22.323 -7.122 -9.016 1.00 0.00 O ATOM 0 H GLY A 86 -20.960 -5.535 -11.912 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.807 -7.124 -11.509 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.674 -8.450 -11.677 1.00 0.00 H new ATOM 1422 N GLN A 87 -20.206 -7.500 -9.473 1.00 0.00 N ATOM 1423 CA GLN A 87 -19.838 -7.424 -8.025 1.00 0.00 C ATOM 1424 C GLN A 87 -19.290 -6.038 -7.683 1.00 0.00 C ATOM 1425 O GLN A 87 -19.107 -5.199 -8.543 1.00 0.00 O ATOM 1426 CB GLN A 87 -18.758 -8.489 -7.804 1.00 0.00 C ATOM 1427 CG GLN A 87 -17.723 -8.426 -8.920 1.00 0.00 C ATOM 1428 CD GLN A 87 -17.956 -9.594 -9.881 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -18.392 -10.652 -9.473 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -17.692 -9.444 -11.145 1.00 0.00 N ATOM 0 H GLN A 87 -19.431 -7.682 -10.111 1.00 0.00 H new ATOM 0 HA GLN A 87 -20.706 -7.595 -7.388 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.274 -8.333 -6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.213 -9.479 -7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -17.801 -7.478 -9.453 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.717 -8.476 -8.504 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -17.326 -8.556 -11.488 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.851 -10.215 -11.794 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.030 -5.795 -6.428 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.496 -4.465 -6.015 1.00 0.00 C ATOM 1441 C LYS A 88 -18.305 -4.417 -4.496 1.00 0.00 C ATOM 1442 O LYS A 88 -19.257 -4.489 -3.744 1.00 0.00 O ATOM 1443 CB LYS A 88 -19.568 -3.463 -6.446 1.00 0.00 C ATOM 1444 CG LYS A 88 -19.008 -2.543 -7.531 1.00 0.00 C ATOM 1445 CD LYS A 88 -17.763 -1.828 -7.006 1.00 0.00 C ATOM 1446 CE LYS A 88 -17.409 -0.667 -7.939 1.00 0.00 C ATOM 1447 NZ LYS A 88 -16.843 0.384 -7.047 1.00 0.00 N ATOM 0 H LYS A 88 -19.165 -6.462 -5.668 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.526 -4.252 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -20.444 -3.992 -6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.894 -2.874 -5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -18.759 -3.122 -8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -19.761 -1.813 -7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.943 -1.456 -5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -16.928 -2.526 -6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -16.687 -0.974 -8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.290 -0.303 -8.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -16.334 1.088 -7.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -17.614 0.851 -6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.185 -0.053 -6.370 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.092 -4.283 -4.031 1.00 0.00 N ATOM 1462 CA ILE A 89 -16.872 -4.218 -2.558 1.00 0.00 C ATOM 1463 C ILE A 89 -17.456 -2.910 -2.011 1.00 0.00 C ATOM 1464 O ILE A 89 -16.750 -2.059 -1.505 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.354 -4.268 -2.368 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -14.783 -5.460 -3.147 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.030 -4.435 -0.882 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.338 -5.717 -2.714 1.00 0.00 C ATOM 0 H ILE A 89 -16.250 -4.216 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.359 -5.035 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 89 -14.912 -3.342 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.390 -6.348 -2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.821 -5.259 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.949 -4.471 -0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.438 -3.592 -0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.472 -5.361 -0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.937 -6.564 -3.270 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.735 -4.832 -2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.312 -5.938 -1.647 1.00 0.00 H new ATOM 1480 N GLU A 90 -18.747 -2.751 -2.123 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.420 -1.509 -1.632 1.00 0.00 C ATOM 1482 C GLU A 90 -19.091 -1.229 -0.159 1.00 0.00 C ATOM 1483 O GLU A 90 -19.368 -0.160 0.348 1.00 0.00 O ATOM 1484 CB GLU A 90 -20.914 -1.782 -1.798 1.00 0.00 C ATOM 1485 CG GLU A 90 -21.202 -2.194 -3.244 1.00 0.00 C ATOM 1486 CD GLU A 90 -22.028 -1.105 -3.930 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -22.728 -0.391 -3.232 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -21.945 -1.003 -5.144 1.00 0.00 O ATOM 0 H GLU A 90 -19.375 -3.438 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.087 -0.632 -2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.228 -2.571 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.488 -0.891 -1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.267 -2.349 -3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -21.742 -3.141 -3.263 1.00 0.00 H new ATOM 1495 N ALA A 91 -18.523 -2.173 0.538 1.00 0.00 N ATOM 1496 CA ALA A 91 -18.208 -1.943 1.979 1.00 0.00 C ATOM 1497 C ALA A 91 -17.382 -0.663 2.163 1.00 0.00 C ATOM 1498 O ALA A 91 -17.276 -0.139 3.253 1.00 0.00 O ATOM 1499 CB ALA A 91 -17.395 -3.167 2.404 1.00 0.00 C ATOM 0 H ALA A 91 -18.263 -3.091 0.176 1.00 0.00 H new ATOM 0 HA ALA A 91 -19.111 -1.817 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -17.123 -3.076 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -17.992 -4.068 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -16.491 -3.231 1.799 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.804 -0.146 1.112 1.00 0.00 N ATOM 1506 CA LEU A 92 -16.001 1.108 1.248 1.00 0.00 C ATOM 1507 C LEU A 92 -16.821 2.295 0.750 1.00 0.00 C ATOM 1508 O LEU A 92 -16.582 3.429 1.113 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.754 0.933 0.365 1.00 0.00 C ATOM 1510 CG LEU A 92 -14.451 -0.549 0.146 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -13.095 -0.699 -0.543 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -14.418 -1.260 1.498 1.00 0.00 C ATOM 0 H LEU A 92 -16.851 -0.533 0.170 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.725 1.291 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.911 1.423 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.899 1.419 0.835 1.00 0.00 H new ATOM 0 HG LEU A 92 -15.224 -0.991 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.881 -1.756 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.118 -0.188 -1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.318 -0.260 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.202 -2.318 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.643 -0.817 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.385 -1.153 1.989 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.786 2.038 -0.089 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.622 3.147 -0.623 1.00 0.00 C ATOM 1526 C GLU A 93 -19.216 3.968 0.525 1.00 0.00 C ATOM 1527 O GLU A 93 -19.473 5.148 0.388 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.731 2.459 -1.420 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.237 2.168 -2.839 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.105 3.481 -3.613 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -19.916 4.363 -3.387 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -18.194 3.582 -4.418 1.00 0.00 O ATOM 0 H GLU A 93 -18.031 1.107 -0.427 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.045 3.837 -1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.024 1.531 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.616 3.095 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.275 1.657 -2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.933 1.502 -3.348 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.439 3.352 1.655 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.020 4.098 2.808 1.00 0.00 C ATOM 1541 C GLY A 94 -18.900 4.551 3.748 1.00 0.00 C ATOM 1542 O GLY A 94 -19.043 5.509 4.482 1.00 0.00 O ATOM 0 H GLY A 94 -19.244 2.366 1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -20.579 4.963 2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.725 3.464 3.346 1.00 0.00 H new ATOM 1546 N LEU A 95 -17.786 3.869 3.733 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.659 4.262 4.629 1.00 0.00 C ATOM 1548 C LEU A 95 -16.495 5.785 4.635 1.00 0.00 C ATOM 1549 O LEU A 95 -16.048 6.368 5.603 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.422 3.595 4.026 1.00 0.00 C ATOM 1551 CG LEU A 95 -15.051 2.361 4.850 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -16.281 1.468 5.015 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.950 1.582 4.125 1.00 0.00 C ATOM 0 H LEU A 95 -17.607 3.058 3.140 1.00 0.00 H new ATOM 0 HA LEU A 95 -16.827 3.955 5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.618 3.309 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -14.589 4.298 4.010 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.695 2.672 5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -16.016 0.589 5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -17.067 2.023 5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.638 1.155 4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.682 0.701 4.709 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -14.310 1.271 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.073 2.218 4.005 1.00 0.00 H new ATOM 1565 N ILE A 96 -16.851 6.431 3.560 1.00 0.00 N ATOM 1566 CA ILE A 96 -16.716 7.914 3.500 1.00 0.00 C ATOM 1567 C ILE A 96 -17.365 8.556 4.729 1.00 0.00 C ATOM 1568 O ILE A 96 -18.504 8.980 4.620 1.00 0.00 O ATOM 1569 CB ILE A 96 -17.453 8.324 2.225 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -16.742 7.721 1.011 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -17.460 9.848 2.105 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -17.501 8.093 -0.264 1.00 0.00 C ATOM 1573 OXT ILE A 96 -16.712 8.611 5.758 1.00 0.00 O ATOM 0 H ILE A 96 -17.230 5.996 2.719 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.674 8.235 3.491 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.479 7.959 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -15.717 8.089 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -16.687 6.637 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.986 10.139 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.965 10.279 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.434 10.214 2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -16.994 7.663 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.518 7.703 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -17.533 9.178 -0.365 1.00 0.00 H new