USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 506 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 14 SER OG : rot 180:sc= -0.859 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.86,f=-2!) USER MOD Single : A 11 CYS SG : rot -175:sc= -6.14! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.139 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.71) USER MOD Single : A 32 SER OG : rot 162:sc= -0.583 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.91) USER MOD Single : A 52 ASN : amide:sc= -0.791 K(o=-0.79,f=-1.5!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -138:sc= -0.554 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -15:sc= 0.925 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 90.815 -3.800 -9.365 1.00 0.00 N ATOM 102 CA ASP A 7 90.981 -4.648 -8.142 1.00 0.00 C ATOM 103 C ASP A 7 89.963 -4.238 -7.069 1.00 0.00 C ATOM 104 O ASP A 7 89.648 -5.013 -6.186 1.00 0.00 O ATOM 105 CB ASP A 7 92.412 -4.397 -7.655 1.00 0.00 C ATOM 106 CG ASP A 7 93.416 -4.894 -8.702 1.00 0.00 C ATOM 107 OD1 ASP A 7 93.087 -5.823 -9.423 1.00 0.00 O ATOM 108 OD2 ASP A 7 94.498 -4.334 -8.764 1.00 0.00 O ATOM 0 HA ASP A 7 90.812 -5.704 -8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 7 92.561 -3.333 -7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.578 -4.910 -6.708 1.00 0.00 H new ATOM 113 N TRP A 8 89.448 -3.027 -7.138 1.00 0.00 N ATOM 114 CA TRP A 8 88.467 -2.566 -6.109 1.00 0.00 C ATOM 115 C TRP A 8 87.086 -3.189 -6.338 1.00 0.00 C ATOM 116 O TRP A 8 86.239 -3.137 -5.469 1.00 0.00 O ATOM 117 CB TRP A 8 88.392 -1.047 -6.244 1.00 0.00 C ATOM 118 CG TRP A 8 89.532 -0.324 -5.602 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.209 0.702 -6.171 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.141 -0.546 -4.294 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.197 1.137 -5.303 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.213 0.410 -4.135 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.888 -1.473 -3.218 1.00 0.00 C ATOM 124 CZ2 TRP A 8 92.010 0.448 -2.951 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.689 -1.440 -2.025 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.748 -0.481 -1.894 1.00 0.00 C ATOM 0 H TRP A 8 89.667 -2.344 -7.863 1.00 0.00 H new ATOM 0 HA TRP A 8 88.784 -2.868 -5.111 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.360 -0.787 -7.302 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.459 -0.699 -5.802 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.010 1.116 -7.148 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.837 1.905 -5.506 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.091 -2.197 -3.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.805 1.173 -2.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.493 -2.139 -1.225 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.348 -0.460 -0.997 1.00 0.00 H new ATOM 137 N ILE A 9 86.835 -3.782 -7.488 1.00 0.00 N ATOM 138 CA ILE A 9 85.459 -4.325 -7.761 1.00 0.00 C ATOM 139 C ILE A 9 85.061 -5.317 -6.653 1.00 0.00 C ATOM 140 O ILE A 9 85.780 -6.250 -6.351 1.00 0.00 O ATOM 141 CB ILE A 9 85.542 -5.024 -9.130 1.00 0.00 C ATOM 142 CG1 ILE A 9 85.944 -4.016 -10.227 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.179 -5.635 -9.485 1.00 0.00 C ATOM 144 CD1 ILE A 9 84.936 -2.860 -10.295 1.00 0.00 C ATOM 0 H ILE A 9 87.513 -3.912 -8.239 1.00 0.00 H new ATOM 0 HA ILE A 9 84.703 -3.540 -7.774 1.00 0.00 H new ATOM 0 HB ILE A 9 86.296 -5.809 -9.072 1.00 0.00 H new ATOM 0 HG12 ILE A 9 86.940 -3.625 -10.021 1.00 0.00 H new ATOM 0 HG13 ILE A 9 85.992 -4.521 -11.192 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.243 -6.129 -10.455 1.00 0.00 H new ATOM 0 HG22 ILE A 9 83.898 -6.364 -8.725 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.427 -4.847 -9.528 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.237 -2.160 -11.074 1.00 0.00 H new ATOM 0 HD12 ILE A 9 83.946 -3.254 -10.524 1.00 0.00 H new ATOM 0 HD13 ILE A 9 84.909 -2.344 -9.335 1.00 0.00 H new ATOM 156 N GLY A 10 83.916 -5.106 -6.056 1.00 0.00 N ATOM 157 CA GLY A 10 83.496 -5.940 -4.892 1.00 0.00 C ATOM 158 C GLY A 10 84.076 -5.409 -3.567 1.00 0.00 C ATOM 159 O GLY A 10 83.814 -5.977 -2.520 1.00 0.00 O ATOM 0 H GLY A 10 83.249 -4.384 -6.329 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.408 -5.957 -4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.823 -6.968 -5.045 1.00 0.00 H new ATOM 163 N CYS A 11 84.857 -4.340 -3.585 1.00 0.00 N ATOM 164 CA CYS A 11 85.383 -3.784 -2.289 1.00 0.00 C ATOM 165 C CYS A 11 84.338 -2.854 -1.638 1.00 0.00 C ATOM 166 O CYS A 11 83.493 -2.299 -2.313 1.00 0.00 O ATOM 167 CB CYS A 11 86.728 -3.073 -2.635 1.00 0.00 C ATOM 168 SG CYS A 11 86.523 -1.351 -3.211 1.00 0.00 S ATOM 0 H CYS A 11 85.146 -3.840 -4.426 1.00 0.00 H new ATOM 0 HA CYS A 11 85.568 -4.559 -1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.368 -3.078 -1.753 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.243 -3.646 -3.406 1.00 0.00 H new ATOM 0 HG CYS A 11 87.678 -0.872 -3.566 1.00 0.00 H new ATOM 174 N ALA A 12 84.399 -2.693 -0.339 1.00 0.00 N ATOM 175 CA ALA A 12 83.359 -1.885 0.374 1.00 0.00 C ATOM 176 C ALA A 12 83.808 -0.427 0.501 1.00 0.00 C ATOM 177 O ALA A 12 84.832 -0.146 1.097 1.00 0.00 O ATOM 178 CB ALA A 12 83.247 -2.530 1.757 1.00 0.00 C ATOM 0 H ALA A 12 85.125 -3.087 0.260 1.00 0.00 H new ATOM 0 HA ALA A 12 82.407 -1.876 -0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.502 -1.997 2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 12 82.946 -3.572 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.213 -2.481 2.260 1.00 0.00 H new ATOM 184 N VAL A 13 83.053 0.497 -0.048 1.00 0.00 N ATOM 185 CA VAL A 13 83.454 1.938 0.025 1.00 0.00 C ATOM 186 C VAL A 13 82.248 2.821 0.371 1.00 0.00 C ATOM 187 O VAL A 13 81.109 2.438 0.175 1.00 0.00 O ATOM 188 CB VAL A 13 84.001 2.279 -1.367 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.209 1.394 -1.672 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.922 2.042 -2.430 1.00 0.00 C ATOM 0 H VAL A 13 82.179 0.315 -0.542 1.00 0.00 H new ATOM 0 HA VAL A 13 84.197 2.113 0.803 1.00 0.00 H new ATOM 0 HB VAL A 13 84.297 3.328 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.597 1.637 -2.661 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.984 1.567 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.908 0.347 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.321 2.287 -3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.617 0.996 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.059 2.675 -2.220 1.00 0.00 H new ATOM 200 N SER A 14 82.502 4.000 0.884 1.00 0.00 N ATOM 201 CA SER A 14 81.399 4.968 1.150 1.00 0.00 C ATOM 202 C SER A 14 81.656 6.255 0.372 1.00 0.00 C ATOM 203 O SER A 14 82.783 6.702 0.264 1.00 0.00 O ATOM 204 CB SER A 14 81.447 5.231 2.655 1.00 0.00 C ATOM 205 OG SER A 14 80.590 6.320 2.970 1.00 0.00 O ATOM 0 H SER A 14 83.434 4.333 1.131 1.00 0.00 H new ATOM 0 HA SER A 14 80.425 4.588 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.137 4.340 3.201 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.468 5.456 2.964 1.00 0.00 H new ATOM 0 HG SER A 14 80.618 6.490 3.935 1.00 0.00 H new ATOM 211 N ILE A 15 80.624 6.849 -0.170 1.00 0.00 N ATOM 212 CA ILE A 15 80.822 8.027 -1.068 1.00 0.00 C ATOM 213 C ILE A 15 80.059 9.233 -0.525 1.00 0.00 C ATOM 214 O ILE A 15 78.858 9.175 -0.325 1.00 0.00 O ATOM 215 CB ILE A 15 80.255 7.620 -2.445 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.793 6.241 -2.901 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.653 8.676 -3.481 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.325 6.205 -2.851 1.00 0.00 C ATOM 0 H ILE A 15 79.653 6.570 -0.030 1.00 0.00 H new ATOM 0 HA ILE A 15 81.874 8.303 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 15 79.171 7.550 -2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.386 5.458 -2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.454 6.032 -3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.256 8.396 -4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.247 9.644 -3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.740 8.740 -3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.677 5.226 -3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.729 6.973 -3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.660 6.391 -1.831 1.00 0.00 H new ATOM 230 N ALA A 16 80.749 10.319 -0.287 1.00 0.00 N ATOM 231 CA ALA A 16 80.067 11.566 0.158 1.00 0.00 C ATOM 232 C ALA A 16 79.880 12.501 -1.036 1.00 0.00 C ATOM 233 O ALA A 16 80.834 13.052 -1.556 1.00 0.00 O ATOM 234 CB ALA A 16 81.010 12.189 1.189 1.00 0.00 C ATOM 0 H ALA A 16 81.762 10.393 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 16 79.080 11.377 0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.576 13.115 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.155 11.494 2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 16 81.971 12.402 0.721 1.00 0.00 H new ATOM 240 N CYS A 17 78.661 12.674 -1.473 1.00 0.00 N ATOM 241 CA CYS A 17 78.380 13.600 -2.610 1.00 0.00 C ATOM 242 C CYS A 17 77.928 14.956 -2.065 1.00 0.00 C ATOM 243 O CYS A 17 77.612 15.084 -0.896 1.00 0.00 O ATOM 244 CB CYS A 17 77.251 12.946 -3.415 1.00 0.00 C ATOM 245 SG CYS A 17 77.748 11.293 -3.977 1.00 0.00 S ATOM 0 H CYS A 17 77.839 12.209 -1.087 1.00 0.00 H new ATOM 0 HA CYS A 17 79.261 13.768 -3.229 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.353 12.873 -2.801 1.00 0.00 H new ATOM 0 HB3 CYS A 17 77.000 13.569 -4.274 1.00 0.00 H new ATOM 0 HG CYS A 17 76.778 10.755 -4.655 1.00 0.00 H new ATOM 251 N ASP A 18 77.892 15.967 -2.899 1.00 0.00 N ATOM 252 CA ASP A 18 77.478 17.330 -2.423 1.00 0.00 C ATOM 253 C ASP A 18 76.064 17.276 -1.825 1.00 0.00 C ATOM 254 O ASP A 18 75.367 16.287 -1.943 1.00 0.00 O ATOM 255 CB ASP A 18 77.515 18.235 -3.656 1.00 0.00 C ATOM 256 CG ASP A 18 78.964 18.432 -4.103 1.00 0.00 C ATOM 257 OD1 ASP A 18 79.689 19.120 -3.403 1.00 0.00 O ATOM 258 OD2 ASP A 18 79.323 17.895 -5.138 1.00 0.00 O ATOM 0 H ASP A 18 78.131 15.910 -3.889 1.00 0.00 H new ATOM 0 HA ASP A 18 78.139 17.704 -1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 18 76.932 17.791 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 18 77.060 19.199 -3.426 1.00 0.00 H new ATOM 263 N GLU A 19 75.643 18.337 -1.184 1.00 0.00 N ATOM 264 CA GLU A 19 74.430 18.269 -0.301 1.00 0.00 C ATOM 265 C GLU A 19 73.209 17.726 -1.054 1.00 0.00 C ATOM 266 O GLU A 19 72.385 17.034 -0.481 1.00 0.00 O ATOM 267 CB GLU A 19 74.173 19.711 0.144 1.00 0.00 C ATOM 268 CG GLU A 19 75.337 20.194 1.018 1.00 0.00 C ATOM 269 CD GLU A 19 75.067 21.617 1.532 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.237 22.303 0.951 1.00 0.00 O ATOM 271 OE2 GLU A 19 75.699 21.999 2.502 1.00 0.00 O ATOM 0 H GLU A 19 76.087 19.254 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 19 74.597 17.594 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 19 74.066 20.358 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.238 19.769 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 19 75.473 19.516 1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.263 20.178 0.443 1.00 0.00 H new ATOM 278 N VAL A 20 73.086 18.029 -2.324 1.00 0.00 N ATOM 279 CA VAL A 20 71.866 17.602 -3.084 1.00 0.00 C ATOM 280 C VAL A 20 71.919 16.094 -3.369 1.00 0.00 C ATOM 281 O VAL A 20 70.899 15.454 -3.543 1.00 0.00 O ATOM 282 CB VAL A 20 71.897 18.411 -4.388 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.689 18.048 -5.258 1.00 0.00 C ATOM 284 CG2 VAL A 20 71.850 19.906 -4.063 1.00 0.00 C ATOM 0 H VAL A 20 73.774 18.551 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 20 70.948 17.782 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 20 72.815 18.178 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.719 18.627 -6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.718 16.984 -5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.770 18.274 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 20 71.872 20.481 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 20 70.933 20.131 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 20 72.711 20.172 -3.450 1.00 0.00 H new ATOM 294 N LEU A 21 73.100 15.527 -3.417 1.00 0.00 N ATOM 295 CA LEU A 21 73.233 14.059 -3.661 1.00 0.00 C ATOM 296 C LEU A 21 73.253 13.269 -2.341 1.00 0.00 C ATOM 297 O LEU A 21 73.025 12.073 -2.330 1.00 0.00 O ATOM 298 CB LEU A 21 74.566 13.923 -4.389 1.00 0.00 C ATOM 299 CG LEU A 21 74.451 14.530 -5.790 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.824 14.511 -6.466 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.465 13.710 -6.626 1.00 0.00 C ATOM 0 H LEU A 21 73.983 16.023 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 21 72.395 13.660 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.352 14.427 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.848 12.872 -4.459 1.00 0.00 H new ATOM 0 HG LEU A 21 74.094 15.557 -5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.744 14.943 -7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.529 15.094 -5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 21 76.178 13.483 -6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.385 14.144 -7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.821 12.683 -6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.486 13.719 -6.146 1.00 0.00 H new ATOM 313 N GLY A 22 73.521 13.925 -1.234 1.00 0.00 N ATOM 314 CA GLY A 22 73.574 13.210 0.080 1.00 0.00 C ATOM 315 C GLY A 22 74.725 12.197 0.083 1.00 0.00 C ATOM 316 O GLY A 22 75.719 12.371 -0.598 1.00 0.00 O ATOM 0 H GLY A 22 73.705 14.927 -1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.710 13.928 0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.629 12.699 0.263 1.00 0.00 H new ATOM 320 N VAL A 23 74.595 11.142 0.851 1.00 0.00 N ATOM 321 CA VAL A 23 75.706 10.141 0.961 1.00 0.00 C ATOM 322 C VAL A 23 75.161 8.729 0.756 1.00 0.00 C ATOM 323 O VAL A 23 74.089 8.401 1.234 1.00 0.00 O ATOM 324 CB VAL A 23 76.258 10.282 2.388 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.467 9.352 2.564 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.691 11.730 2.645 1.00 0.00 C ATOM 0 H VAL A 23 73.767 10.930 1.408 1.00 0.00 H new ATOM 0 HA VAL A 23 76.476 10.313 0.209 1.00 0.00 H new ATOM 0 HB VAL A 23 75.477 10.011 3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.859 9.452 3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.160 8.320 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.242 9.623 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.081 11.819 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.467 12.010 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.834 12.393 2.526 1.00 0.00 H new ATOM 336 N PHE A 24 75.891 7.894 0.055 1.00 0.00 N ATOM 337 CA PHE A 24 75.482 6.462 -0.062 1.00 0.00 C ATOM 338 C PHE A 24 76.674 5.542 0.226 1.00 0.00 C ATOM 339 O PHE A 24 77.815 5.945 0.134 1.00 0.00 O ATOM 340 CB PHE A 24 74.983 6.266 -1.501 1.00 0.00 C ATOM 341 CG PHE A 24 76.058 6.383 -2.562 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.797 5.215 -2.946 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.353 7.650 -3.169 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.826 5.311 -3.941 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.383 7.744 -4.163 1.00 0.00 C ATOM 346 CZ PHE A 24 78.117 6.576 -4.550 1.00 0.00 C ATOM 0 H PHE A 24 76.748 8.143 -0.438 1.00 0.00 H new ATOM 0 HA PHE A 24 74.702 6.214 0.658 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.518 5.283 -1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.207 7.003 -1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.579 4.263 -2.486 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.800 8.531 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.381 4.431 -4.231 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.606 8.697 -4.620 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.890 6.648 -5.301 1.00 0.00 H new ATOM 356 N GLN A 25 76.403 4.313 0.574 1.00 0.00 N ATOM 357 CA GLN A 25 77.498 3.324 0.804 1.00 0.00 C ATOM 358 C GLN A 25 77.115 1.987 0.163 1.00 0.00 C ATOM 359 O GLN A 25 75.953 1.617 0.143 1.00 0.00 O ATOM 360 CB GLN A 25 77.602 3.197 2.325 1.00 0.00 C ATOM 361 CG GLN A 25 77.997 4.553 2.918 1.00 0.00 C ATOM 362 CD GLN A 25 78.072 4.462 4.445 1.00 0.00 C ATOM 363 OE1 GLN A 25 78.091 3.383 5.008 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.112 5.562 5.146 1.00 0.00 N ATOM 0 H GLN A 25 75.461 3.947 0.710 1.00 0.00 H new ATOM 0 HA GLN A 25 78.448 3.629 0.366 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.649 2.869 2.740 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.342 2.442 2.589 1.00 0.00 H new ATOM 0 HG2 GLN A 25 78.961 4.866 2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.270 5.311 2.627 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.096 6.467 4.676 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.159 5.517 6.164 1.00 0.00 H new ATOM 373 N GLY A 26 78.077 1.268 -0.361 1.00 0.00 N ATOM 374 CA GLY A 26 77.760 0.008 -1.097 1.00 0.00 C ATOM 375 C GLY A 26 79.051 -0.687 -1.529 1.00 0.00 C ATOM 376 O GLY A 26 80.130 -0.129 -1.431 1.00 0.00 O ATOM 0 H GLY A 26 79.069 1.501 -0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.175 -0.657 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.149 0.232 -1.971 1.00 0.00 H new ATOM 380 N LEU A 27 78.944 -1.906 -1.999 1.00 0.00 N ATOM 381 CA LEU A 27 80.129 -2.590 -2.595 1.00 0.00 C ATOM 382 C LEU A 27 80.207 -2.299 -4.095 1.00 0.00 C ATOM 383 O LEU A 27 79.218 -2.334 -4.802 1.00 0.00 O ATOM 384 CB LEU A 27 79.899 -4.082 -2.347 1.00 0.00 C ATOM 385 CG LEU A 27 79.971 -4.370 -0.846 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.417 -5.770 -0.569 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.433 -4.299 -0.383 1.00 0.00 C ATOM 0 H LEU A 27 78.085 -2.456 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 27 81.066 -2.247 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.926 -4.380 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.649 -4.669 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 27 79.381 -3.631 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.468 -5.976 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.380 -5.823 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 27 80.008 -6.509 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.486 -4.504 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 27 82.022 -5.039 -0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.830 -3.303 -0.582 1.00 0.00 H new ATOM 399 N ILE A 28 81.386 -2.013 -4.574 1.00 0.00 N ATOM 400 CA ILE A 28 81.565 -1.643 -6.015 1.00 0.00 C ATOM 401 C ILE A 28 81.277 -2.849 -6.919 1.00 0.00 C ATOM 402 O ILE A 28 81.683 -3.958 -6.633 1.00 0.00 O ATOM 403 CB ILE A 28 83.037 -1.208 -6.130 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.277 0.009 -5.223 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.381 -0.844 -7.582 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.766 0.370 -5.218 1.00 0.00 C ATOM 0 H ILE A 28 82.246 -2.019 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 28 80.882 -0.854 -6.328 1.00 0.00 H new ATOM 0 HB ILE A 28 83.675 -2.035 -5.819 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.689 0.857 -5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.944 -0.211 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.426 -0.539 -7.643 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.218 -1.711 -8.223 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.744 -0.024 -7.912 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.929 1.234 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.344 -0.476 -4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 28 85.086 0.609 -6.232 1.00 0.00 H new ATOM 418 N LYS A 29 80.571 -2.634 -8.003 1.00 0.00 N ATOM 419 CA LYS A 29 80.392 -3.717 -9.019 1.00 0.00 C ATOM 420 C LYS A 29 81.236 -3.418 -10.260 1.00 0.00 C ATOM 421 O LYS A 29 81.718 -4.319 -10.922 1.00 0.00 O ATOM 422 CB LYS A 29 78.903 -3.702 -9.370 1.00 0.00 C ATOM 423 CG LYS A 29 78.599 -4.840 -10.349 1.00 0.00 C ATOM 424 CD LYS A 29 77.151 -4.732 -10.830 1.00 0.00 C ATOM 425 CE LYS A 29 76.805 -5.954 -11.684 1.00 0.00 C ATOM 426 NZ LYS A 29 75.354 -6.190 -11.447 1.00 0.00 N ATOM 0 H LYS A 29 80.110 -1.752 -8.228 1.00 0.00 H new ATOM 0 HA LYS A 29 80.708 -4.689 -8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.304 -3.815 -8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.632 -2.744 -9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 29 79.279 -4.793 -11.199 1.00 0.00 H new ATOM 0 HG3 LYS A 29 78.761 -5.803 -9.864 1.00 0.00 H new ATOM 0 HD2 LYS A 29 76.477 -4.669 -9.976 1.00 0.00 H new ATOM 0 HD3 LYS A 29 77.016 -3.819 -11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 29 77.008 -5.769 -12.739 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.399 -6.820 -11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 75.041 -7.014 -12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 75.192 -6.370 -10.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 74.813 -5.351 -11.740 1.00 0.00 H new ATOM 440 N GLN A 30 81.415 -2.158 -10.576 1.00 0.00 N ATOM 441 CA GLN A 30 82.203 -1.786 -11.791 1.00 0.00 C ATOM 442 C GLN A 30 82.729 -0.358 -11.651 1.00 0.00 C ATOM 443 O GLN A 30 82.103 0.480 -11.029 1.00 0.00 O ATOM 444 CB GLN A 30 81.217 -1.889 -12.955 1.00 0.00 C ATOM 445 CG GLN A 30 81.958 -1.657 -14.273 1.00 0.00 C ATOM 446 CD GLN A 30 82.859 -2.857 -14.571 1.00 0.00 C ATOM 447 OE1 GLN A 30 82.446 -3.991 -14.434 1.00 0.00 O ATOM 448 NE2 GLN A 30 84.084 -2.653 -14.975 1.00 0.00 N ATOM 0 H GLN A 30 81.048 -1.370 -10.043 1.00 0.00 H new ATOM 0 HA GLN A 30 83.068 -2.432 -11.940 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.744 -2.871 -12.959 1.00 0.00 H new ATOM 0 HB3 GLN A 30 80.422 -1.153 -12.838 1.00 0.00 H new ATOM 0 HG2 GLN A 30 81.244 -1.515 -15.084 1.00 0.00 H new ATOM 0 HG3 GLN A 30 82.555 -0.747 -14.211 1.00 0.00 H new ATOM 0 HE21 GLN A 30 84.431 -1.701 -15.090 1.00 0.00 H new ATOM 0 HE22 GLN A 30 84.694 -3.446 -15.175 1.00 0.00 H new ATOM 457 N ILE A 31 83.874 -0.077 -12.223 1.00 0.00 N ATOM 458 CA ILE A 31 84.490 1.277 -12.058 1.00 0.00 C ATOM 459 C ILE A 31 85.085 1.750 -13.387 1.00 0.00 C ATOM 460 O ILE A 31 85.722 0.996 -14.099 1.00 0.00 O ATOM 461 CB ILE A 31 85.585 1.115 -10.992 1.00 0.00 C ATOM 462 CG1 ILE A 31 84.960 0.598 -9.685 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.264 2.472 -10.736 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.050 0.367 -8.633 1.00 0.00 C ATOM 0 H ILE A 31 84.410 -0.727 -12.798 1.00 0.00 H new ATOM 0 HA ILE A 31 83.756 2.023 -11.755 1.00 0.00 H new ATOM 0 HB ILE A 31 86.328 0.401 -11.346 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.231 1.318 -9.312 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.423 -0.332 -9.873 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.040 2.354 -9.980 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.711 2.835 -11.661 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.522 3.190 -10.386 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.595 0.001 -7.712 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.763 -0.370 -9.003 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.568 1.305 -8.434 1.00 0.00 H new ATOM 476 N SER A 32 84.876 2.999 -13.715 1.00 0.00 N ATOM 477 CA SER A 32 85.515 3.588 -14.927 1.00 0.00 C ATOM 478 C SER A 32 85.829 5.061 -14.671 1.00 0.00 C ATOM 479 O SER A 32 85.234 5.687 -13.814 1.00 0.00 O ATOM 480 CB SER A 32 84.482 3.441 -16.042 1.00 0.00 C ATOM 481 OG SER A 32 83.350 4.247 -15.742 1.00 0.00 O ATOM 0 H SER A 32 84.284 3.641 -13.189 1.00 0.00 H new ATOM 0 HA SER A 32 86.452 3.095 -15.187 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.914 3.742 -16.996 1.00 0.00 H new ATOM 0 HB3 SER A 32 84.184 2.397 -16.142 1.00 0.00 H new ATOM 0 HG SER A 32 82.824 4.389 -16.557 1.00 0.00 H new ATOM 487 N ALA A 33 86.748 5.623 -15.414 1.00 0.00 N ATOM 488 CA ALA A 33 87.251 7.001 -15.095 1.00 0.00 C ATOM 489 C ALA A 33 86.100 8.016 -15.029 1.00 0.00 C ATOM 490 O ALA A 33 86.215 9.044 -14.387 1.00 0.00 O ATOM 491 CB ALA A 33 88.205 7.357 -16.237 1.00 0.00 C ATOM 0 H ALA A 33 87.175 5.188 -16.232 1.00 0.00 H new ATOM 0 HA ALA A 33 87.741 7.027 -14.122 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.613 8.354 -16.072 1.00 0.00 H new ATOM 0 HB2 ALA A 33 89.019 6.632 -16.271 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.663 7.338 -17.183 1.00 0.00 H new ATOM 497 N GLU A 34 84.997 7.737 -15.685 1.00 0.00 N ATOM 498 CA GLU A 34 83.892 8.743 -15.766 1.00 0.00 C ATOM 499 C GLU A 34 82.876 8.545 -14.633 1.00 0.00 C ATOM 500 O GLU A 34 82.204 9.479 -14.234 1.00 0.00 O ATOM 501 CB GLU A 34 83.238 8.507 -17.127 1.00 0.00 C ATOM 502 CG GLU A 34 84.249 8.802 -18.240 1.00 0.00 C ATOM 503 CD GLU A 34 83.591 8.641 -19.620 1.00 0.00 C ATOM 504 OE1 GLU A 34 82.558 7.993 -19.704 1.00 0.00 O ATOM 505 OE2 GLU A 34 84.137 9.172 -20.574 1.00 0.00 O ATOM 0 H GLU A 34 84.816 6.856 -16.167 1.00 0.00 H new ATOM 0 HA GLU A 34 84.267 9.761 -15.661 1.00 0.00 H new ATOM 0 HB2 GLU A 34 82.890 7.477 -17.201 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.363 9.147 -17.237 1.00 0.00 H new ATOM 0 HG2 GLU A 34 84.635 9.816 -18.130 1.00 0.00 H new ATOM 0 HG3 GLU A 34 85.100 8.126 -18.155 1.00 0.00 H new ATOM 512 N GLU A 35 82.757 7.344 -14.115 1.00 0.00 N ATOM 513 CA GLU A 35 81.667 7.055 -13.129 1.00 0.00 C ATOM 514 C GLU A 35 82.031 5.858 -12.240 1.00 0.00 C ATOM 515 O GLU A 35 82.810 5.005 -12.619 1.00 0.00 O ATOM 516 CB GLU A 35 80.425 6.751 -13.977 1.00 0.00 C ATOM 517 CG GLU A 35 80.692 5.549 -14.891 1.00 0.00 C ATOM 518 CD GLU A 35 79.491 5.332 -15.814 1.00 0.00 C ATOM 519 OE1 GLU A 35 78.457 4.916 -15.319 1.00 0.00 O ATOM 520 OE2 GLU A 35 79.627 5.586 -16.999 1.00 0.00 O ATOM 0 H GLU A 35 83.366 6.555 -14.332 1.00 0.00 H new ATOM 0 HA GLU A 35 81.501 7.894 -12.454 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.574 6.542 -13.328 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.162 7.622 -14.577 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.592 5.721 -15.482 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.870 4.656 -14.292 1.00 0.00 H new ATOM 527 N ILE A 36 81.469 5.800 -11.058 1.00 0.00 N ATOM 528 CA ILE A 36 81.623 4.586 -10.197 1.00 0.00 C ATOM 529 C ILE A 36 80.260 3.909 -10.012 1.00 0.00 C ATOM 530 O ILE A 36 79.259 4.574 -9.812 1.00 0.00 O ATOM 531 CB ILE A 36 82.149 5.105 -8.850 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.461 5.892 -9.047 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.400 3.922 -7.911 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.529 5.008 -9.709 1.00 0.00 C ATOM 0 H ILE A 36 80.906 6.546 -10.650 1.00 0.00 H new ATOM 0 HA ILE A 36 82.298 3.851 -10.635 1.00 0.00 H new ATOM 0 HB ILE A 36 81.403 5.771 -8.416 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.275 6.771 -9.665 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.824 6.251 -8.084 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.773 4.289 -6.955 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.468 3.379 -7.752 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.138 3.254 -8.356 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.447 5.582 -9.839 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.728 4.143 -9.076 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.171 4.671 -10.682 1.00 0.00 H new ATOM 546 N THR A 37 80.213 2.598 -10.077 1.00 0.00 N ATOM 547 CA THR A 37 78.903 1.883 -9.976 1.00 0.00 C ATOM 548 C THR A 37 78.941 0.854 -8.838 1.00 0.00 C ATOM 549 O THR A 37 79.865 0.069 -8.735 1.00 0.00 O ATOM 550 CB THR A 37 78.734 1.179 -11.324 1.00 0.00 C ATOM 551 OG1 THR A 37 78.815 2.137 -12.369 1.00 0.00 O ATOM 552 CG2 THR A 37 77.374 0.481 -11.372 1.00 0.00 C ATOM 0 H THR A 37 81.026 1.994 -10.196 1.00 0.00 H new ATOM 0 HA THR A 37 78.079 2.563 -9.760 1.00 0.00 H new ATOM 0 HB THR A 37 79.523 0.437 -11.448 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.709 1.688 -13.234 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.256 -0.020 -12.333 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.314 -0.254 -10.570 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.582 1.219 -11.248 1.00 0.00 H new ATOM 560 N ILE A 38 77.937 0.852 -7.991 1.00 0.00 N ATOM 561 CA ILE A 38 77.916 -0.099 -6.828 1.00 0.00 C ATOM 562 C ILE A 38 76.538 -0.761 -6.706 1.00 0.00 C ATOM 563 O ILE A 38 75.599 -0.394 -7.385 1.00 0.00 O ATOM 564 CB ILE A 38 78.202 0.737 -5.571 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.199 1.896 -5.485 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.633 1.285 -5.614 1.00 0.00 C ATOM 567 CD1 ILE A 38 76.946 2.256 -4.023 1.00 0.00 C ATOM 0 H ILE A 38 77.128 1.470 -8.054 1.00 0.00 H new ATOM 0 HA ILE A 38 78.656 -0.889 -6.959 1.00 0.00 H new ATOM 0 HB ILE A 38 78.097 0.103 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.585 2.763 -6.021 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.263 1.615 -5.967 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.824 1.876 -4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.339 0.456 -5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.755 1.914 -6.496 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.233 3.079 -3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.540 1.390 -3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.883 2.556 -3.555 1.00 0.00 H new ATOM 579 N VAL A 39 76.420 -1.731 -5.834 1.00 0.00 N ATOM 580 CA VAL A 39 75.133 -2.487 -5.693 1.00 0.00 C ATOM 581 C VAL A 39 74.687 -2.525 -4.226 1.00 0.00 C ATOM 582 O VAL A 39 75.460 -2.258 -3.329 1.00 0.00 O ATOM 583 CB VAL A 39 75.421 -3.897 -6.215 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.815 -3.817 -7.688 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.565 -4.531 -5.414 1.00 0.00 C ATOM 0 H VAL A 39 77.165 -2.035 -5.208 1.00 0.00 H new ATOM 0 HA VAL A 39 74.324 -2.015 -6.251 1.00 0.00 H new ATOM 0 HB VAL A 39 74.527 -4.511 -6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 39 76.021 -4.819 -8.064 1.00 0.00 H new ATOM 0 HG12 VAL A 39 74.999 -3.376 -8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.707 -3.199 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.762 -5.534 -5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.463 -3.921 -5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.284 -4.589 -4.362 1.00 0.00 H new ATOM 595 N ARG A 40 73.437 -2.853 -3.986 1.00 0.00 N ATOM 596 CA ARG A 40 72.867 -2.808 -2.593 1.00 0.00 C ATOM 597 C ARG A 40 72.971 -1.384 -2.043 1.00 0.00 C ATOM 598 O ARG A 40 73.703 -1.116 -1.109 1.00 0.00 O ATOM 599 CB ARG A 40 73.684 -3.790 -1.729 1.00 0.00 C ATOM 600 CG ARG A 40 73.734 -5.170 -2.396 1.00 0.00 C ATOM 601 CD ARG A 40 72.333 -5.788 -2.405 1.00 0.00 C ATOM 602 NE ARG A 40 72.517 -7.161 -2.978 1.00 0.00 N ATOM 603 CZ ARG A 40 71.645 -8.130 -2.759 1.00 0.00 C ATOM 604 NH1 ARG A 40 70.562 -7.943 -2.036 1.00 0.00 N ATOM 605 NH2 ARG A 40 71.864 -9.306 -3.279 1.00 0.00 N ATOM 0 H ARG A 40 72.778 -3.154 -4.704 1.00 0.00 H new ATOM 0 HA ARG A 40 71.815 -3.093 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.696 -3.408 -1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 40 73.236 -3.873 -0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 40 74.109 -5.079 -3.416 1.00 0.00 H new ATOM 0 HG3 ARG A 40 74.425 -5.820 -1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 40 71.915 -5.833 -1.399 1.00 0.00 H new ATOM 0 HD3 ARG A 40 71.645 -5.197 -3.010 1.00 0.00 H new ATOM 0 HE ARG A 40 73.338 -7.353 -3.553 1.00 0.00 H new ATOM 0 HH11 ARG A 40 70.375 -7.028 -1.625 1.00 0.00 H new ATOM 0 HH12 ARG A 40 69.909 -8.713 -1.887 1.00 0.00 H new ATOM 0 HH21 ARG A 40 72.698 -9.466 -3.844 1.00 0.00 H new ATOM 0 HH22 ARG A 40 71.202 -10.065 -3.120 1.00 0.00 H new ATOM 619 N ALA A 41 72.234 -0.475 -2.628 1.00 0.00 N ATOM 620 CA ALA A 41 72.382 0.973 -2.272 1.00 0.00 C ATOM 621 C ALA A 41 71.878 1.258 -0.853 1.00 0.00 C ATOM 622 O ALA A 41 70.728 1.017 -0.524 1.00 0.00 O ATOM 623 CB ALA A 41 71.522 1.723 -3.292 1.00 0.00 C ATOM 0 H ALA A 41 71.532 -0.672 -3.341 1.00 0.00 H new ATOM 0 HA ALA A 41 73.428 1.280 -2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 41 71.578 2.794 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 41 71.888 1.517 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 41 70.487 1.393 -3.208 1.00 0.00 H new ATOM 629 N PHE A 42 72.738 1.774 -0.014 1.00 0.00 N ATOM 630 CA PHE A 42 72.282 2.339 1.291 1.00 0.00 C ATOM 631 C PHE A 42 72.533 3.849 1.303 1.00 0.00 C ATOM 632 O PHE A 42 73.605 4.300 0.956 1.00 0.00 O ATOM 633 CB PHE A 42 73.129 1.639 2.359 1.00 0.00 C ATOM 634 CG PHE A 42 72.520 0.360 2.894 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.582 -0.860 2.135 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.878 0.369 4.178 1.00 0.00 C ATOM 637 CE1 PHE A 42 72.003 -2.063 2.661 1.00 0.00 C ATOM 638 CE2 PHE A 42 71.299 -0.834 4.703 1.00 0.00 C ATOM 639 CZ PHE A 42 71.361 -2.049 3.945 1.00 0.00 C ATOM 0 H PHE A 42 73.743 1.829 -0.178 1.00 0.00 H new ATOM 0 HA PHE A 42 71.218 2.182 1.467 1.00 0.00 H new ATOM 0 HB2 PHE A 42 74.109 1.414 1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 42 73.288 2.327 3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 42 73.064 -0.871 1.169 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.831 1.284 4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 42 72.050 -2.979 2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.816 -0.824 5.669 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.924 -2.954 4.340 1.00 0.00 H new ATOM 649 N ARG A 43 71.557 4.627 1.700 1.00 0.00 N ATOM 650 CA ARG A 43 71.721 6.114 1.685 1.00 0.00 C ATOM 651 C ARG A 43 71.201 6.713 2.991 1.00 0.00 C ATOM 652 O ARG A 43 70.251 6.227 3.570 1.00 0.00 O ATOM 653 CB ARG A 43 70.885 6.597 0.501 1.00 0.00 C ATOM 654 CG ARG A 43 71.498 6.079 -0.800 1.00 0.00 C ATOM 655 CD ARG A 43 70.745 6.672 -1.996 1.00 0.00 C ATOM 656 NE ARG A 43 71.055 8.138 -1.965 1.00 0.00 N ATOM 657 CZ ARG A 43 70.282 9.026 -2.567 1.00 0.00 C ATOM 658 NH1 ARG A 43 69.202 8.673 -3.232 1.00 0.00 N ATOM 659 NH2 ARG A 43 70.599 10.290 -2.503 1.00 0.00 N ATOM 0 H ARG A 43 70.652 4.296 2.034 1.00 0.00 H new ATOM 0 HA ARG A 43 72.765 6.413 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 43 69.859 6.243 0.598 1.00 0.00 H new ATOM 0 HB3 ARG A 43 70.847 7.686 0.489 1.00 0.00 H new ATOM 0 HG2 ARG A 43 72.552 6.351 -0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 43 71.448 4.991 -0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 43 71.073 6.220 -2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 43 69.673 6.494 -1.914 1.00 0.00 H new ATOM 0 HE ARG A 43 71.885 8.459 -1.466 1.00 0.00 H new ATOM 0 HH11 ARG A 43 68.940 7.689 -3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 43 68.627 9.383 -3.685 1.00 0.00 H new ATOM 0 HH21 ARG A 43 71.433 10.581 -1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 43 70.013 10.987 -2.962 1.00 0.00 H new ATOM 673 N ASN A 44 71.826 7.767 3.462 1.00 0.00 N ATOM 674 CA ASN A 44 71.374 8.429 4.736 1.00 0.00 C ATOM 675 C ASN A 44 71.261 7.406 5.880 1.00 0.00 C ATOM 676 O ASN A 44 70.345 7.454 6.679 1.00 0.00 O ATOM 677 CB ASN A 44 70.002 9.039 4.424 1.00 0.00 C ATOM 678 CG ASN A 44 70.125 10.031 3.262 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.305 10.035 2.364 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.120 10.877 3.238 1.00 0.00 N ATOM 0 H ASN A 44 72.635 8.202 3.018 1.00 0.00 H new ATOM 0 HA ASN A 44 72.088 9.185 5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.294 8.251 4.168 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.610 9.545 5.306 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.208 11.539 2.467 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.809 10.875 3.990 1.00 0.00 H new ATOM 687 N GLY A 45 72.190 6.485 5.953 1.00 0.00 N ATOM 688 CA GLY A 45 72.215 5.513 7.089 1.00 0.00 C ATOM 689 C GLY A 45 70.944 4.654 7.109 1.00 0.00 C ATOM 690 O GLY A 45 70.582 4.107 8.136 1.00 0.00 O ATOM 0 H GLY A 45 72.937 6.364 5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 45 73.091 4.870 7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.308 6.053 8.031 1.00 0.00 H new ATOM 694 N VAL A 46 70.262 4.530 5.991 1.00 0.00 N ATOM 695 CA VAL A 46 69.092 3.598 5.920 1.00 0.00 C ATOM 696 C VAL A 46 69.033 2.930 4.528 1.00 0.00 C ATOM 697 O VAL A 46 69.481 3.508 3.559 1.00 0.00 O ATOM 698 CB VAL A 46 67.867 4.487 6.182 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.569 3.692 5.989 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.927 4.990 7.622 1.00 0.00 C ATOM 0 H VAL A 46 70.466 5.034 5.128 1.00 0.00 H new ATOM 0 HA VAL A 46 69.150 2.784 6.643 1.00 0.00 H new ATOM 0 HB VAL A 46 67.877 5.320 5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.714 4.340 6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.520 3.318 4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.550 2.852 6.684 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.063 5.623 7.823 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.921 4.140 8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.841 5.566 7.768 1.00 0.00 H new ATOM 710 N PRO A 47 68.482 1.729 4.462 1.00 0.00 N ATOM 711 CA PRO A 47 68.461 0.986 3.177 1.00 0.00 C ATOM 712 C PRO A 47 67.422 1.594 2.228 1.00 0.00 C ATOM 713 O PRO A 47 66.373 2.041 2.657 1.00 0.00 O ATOM 714 CB PRO A 47 68.066 -0.447 3.567 1.00 0.00 C ATOM 715 CG PRO A 47 67.954 -0.466 5.064 1.00 0.00 C ATOM 716 CD PRO A 47 67.835 0.957 5.532 1.00 0.00 C ATOM 0 HA PRO A 47 69.418 1.023 2.657 1.00 0.00 H new ATOM 0 HB2 PRO A 47 67.120 -0.728 3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.814 -1.162 3.225 1.00 0.00 H new ATOM 0 HG2 PRO A 47 67.084 -1.045 5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.829 -0.942 5.507 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.793 1.250 5.664 1.00 0.00 H new ATOM 0 HD3 PRO A 47 68.332 1.106 6.491 1.00 0.00 H new ATOM 724 N LEU A 48 67.705 1.616 0.945 1.00 0.00 N ATOM 725 CA LEU A 48 66.672 2.058 -0.043 1.00 0.00 C ATOM 726 C LEU A 48 65.666 0.933 -0.293 1.00 0.00 C ATOM 727 O LEU A 48 65.988 -0.235 -0.175 1.00 0.00 O ATOM 728 CB LEU A 48 67.444 2.388 -1.325 1.00 0.00 C ATOM 729 CG LEU A 48 68.469 3.499 -1.057 1.00 0.00 C ATOM 730 CD1 LEU A 48 69.255 3.793 -2.343 1.00 0.00 C ATOM 731 CD2 LEU A 48 67.745 4.776 -0.602 1.00 0.00 C ATOM 0 H LEU A 48 68.603 1.348 0.543 1.00 0.00 H new ATOM 0 HA LEU A 48 66.106 2.918 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 48 67.952 1.496 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 48 66.751 2.704 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 48 69.154 3.173 -0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 48 69.983 4.582 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 48 69.774 2.891 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 48 68.567 4.115 -3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.477 5.561 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.057 5.101 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.187 4.572 0.312 1.00 0.00 H new ATOM 743 N ARG A 49 64.449 1.280 -0.639 1.00 0.00 N ATOM 744 CA ARG A 49 63.394 0.236 -0.873 1.00 0.00 C ATOM 745 C ARG A 49 63.851 -0.767 -1.939 1.00 0.00 C ATOM 746 O ARG A 49 63.582 -1.951 -1.843 1.00 0.00 O ATOM 747 CB ARG A 49 62.161 1.004 -1.359 1.00 0.00 C ATOM 748 CG ARG A 49 60.989 0.035 -1.524 1.00 0.00 C ATOM 749 CD ARG A 49 59.783 0.785 -2.099 1.00 0.00 C ATOM 750 NE ARG A 49 59.447 1.822 -1.073 1.00 0.00 N ATOM 751 CZ ARG A 49 58.833 1.512 0.056 1.00 0.00 C ATOM 752 NH1 ARG A 49 58.481 0.277 0.342 1.00 0.00 N ATOM 753 NH2 ARG A 49 58.567 2.461 0.912 1.00 0.00 N ATOM 0 H ARG A 49 64.138 2.242 -0.770 1.00 0.00 H new ATOM 0 HA ARG A 49 63.188 -0.336 0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 49 61.902 1.786 -0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 49 62.376 1.496 -2.308 1.00 0.00 H new ATOM 0 HG2 ARG A 49 61.271 -0.784 -2.186 1.00 0.00 H new ATOM 0 HG3 ARG A 49 60.731 -0.407 -0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 49 60.024 1.243 -3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 49 58.943 0.111 -2.269 1.00 0.00 H new ATOM 0 HE ARG A 49 59.699 2.795 -1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 49 58.681 -0.476 -0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 49 58.008 0.072 1.222 1.00 0.00 H new ATOM 0 HH21 ARG A 49 58.832 3.424 0.705 1.00 0.00 H new ATOM 0 HH22 ARG A 49 58.094 2.240 1.788 1.00 0.00 H new ATOM 767 N LYS A 50 64.540 -0.297 -2.951 1.00 0.00 N ATOM 768 CA LYS A 50 65.058 -1.220 -4.007 1.00 0.00 C ATOM 769 C LYS A 50 66.457 -1.714 -3.631 1.00 0.00 C ATOM 770 O LYS A 50 67.454 -1.141 -4.029 1.00 0.00 O ATOM 771 CB LYS A 50 65.111 -0.375 -5.281 1.00 0.00 C ATOM 772 CG LYS A 50 63.695 0.058 -5.666 1.00 0.00 C ATOM 773 CD LYS A 50 63.735 0.805 -7.000 1.00 0.00 C ATOM 774 CE LYS A 50 62.341 1.346 -7.325 1.00 0.00 C ATOM 775 NZ LYS A 50 62.580 2.683 -7.936 1.00 0.00 N ATOM 0 H LYS A 50 64.766 0.688 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 50 64.430 -2.103 -4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.740 0.501 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.560 -0.948 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 50 63.045 -0.814 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.276 0.699 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 50 64.452 1.625 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 50 64.071 0.137 -7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 50 61.812 0.686 -8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 50 61.729 1.426 -6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 61.669 3.118 -8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 63.079 3.291 -7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 63.159 2.575 -8.793 1.00 0.00 H new ATOM 789 N GLN A 51 66.530 -2.775 -2.865 1.00 0.00 N ATOM 790 CA GLN A 51 67.862 -3.312 -2.435 1.00 0.00 C ATOM 791 C GLN A 51 68.689 -3.718 -3.659 1.00 0.00 C ATOM 792 O GLN A 51 69.895 -3.549 -3.685 1.00 0.00 O ATOM 793 CB GLN A 51 67.548 -4.536 -1.570 1.00 0.00 C ATOM 794 CG GLN A 51 68.828 -5.022 -0.887 1.00 0.00 C ATOM 795 CD GLN A 51 68.534 -6.306 -0.110 1.00 0.00 C ATOM 796 OE1 GLN A 51 68.098 -7.288 -0.679 1.00 0.00 O ATOM 797 NE2 GLN A 51 68.758 -6.344 1.175 1.00 0.00 N ATOM 0 H GLN A 51 65.724 -3.294 -2.518 1.00 0.00 H new ATOM 0 HA GLN A 51 68.444 -2.570 -1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 51 66.798 -4.282 -0.821 1.00 0.00 H new ATOM 0 HB3 GLN A 51 67.128 -5.331 -2.186 1.00 0.00 H new ATOM 0 HG2 GLN A 51 69.604 -5.204 -1.631 1.00 0.00 H new ATOM 0 HG3 GLN A 51 69.207 -4.254 -0.212 1.00 0.00 H new ATOM 0 HE21 GLN A 51 69.124 -5.521 1.653 1.00 0.00 H new ATOM 0 HE22 GLN A 51 68.567 -7.197 1.701 1.00 0.00 H new ATOM 806 N ASN A 52 68.047 -4.253 -4.667 1.00 0.00 N ATOM 807 CA ASN A 52 68.789 -4.725 -5.878 1.00 0.00 C ATOM 808 C ASN A 52 69.074 -3.571 -6.856 1.00 0.00 C ATOM 809 O ASN A 52 69.640 -3.787 -7.913 1.00 0.00 O ATOM 810 CB ASN A 52 67.863 -5.756 -6.530 1.00 0.00 C ATOM 811 CG ASN A 52 68.648 -6.610 -7.533 1.00 0.00 C ATOM 812 OD1 ASN A 52 69.776 -6.302 -7.871 1.00 0.00 O ATOM 813 ND2 ASN A 52 68.093 -7.682 -8.030 1.00 0.00 N ATOM 0 H ASN A 52 67.036 -4.384 -4.704 1.00 0.00 H new ATOM 0 HA ASN A 52 69.760 -5.141 -5.611 1.00 0.00 H new ATOM 0 HB2 ASN A 52 67.421 -6.394 -5.765 1.00 0.00 H new ATOM 0 HB3 ASN A 52 67.041 -5.249 -7.037 1.00 0.00 H new ATOM 0 HD21 ASN A 52 68.604 -8.258 -8.699 1.00 0.00 H new ATOM 0 HD22 ASN A 52 67.148 -7.944 -7.749 1.00 0.00 H new ATOM 820 N ALA A 53 68.695 -2.352 -6.522 1.00 0.00 N ATOM 821 CA ALA A 53 68.911 -1.211 -7.469 1.00 0.00 C ATOM 822 C ALA A 53 70.391 -0.817 -7.497 1.00 0.00 C ATOM 823 O ALA A 53 71.036 -0.724 -6.470 1.00 0.00 O ATOM 824 CB ALA A 53 68.061 -0.061 -6.923 1.00 0.00 C ATOM 0 H ALA A 53 68.249 -2.104 -5.639 1.00 0.00 H new ATOM 0 HA ALA A 53 68.630 -1.471 -8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.170 0.811 -7.568 1.00 0.00 H new ATOM 0 HB2 ALA A 53 67.014 -0.363 -6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.392 0.190 -5.915 1.00 0.00 H new ATOM 830 N GLU A 54 70.926 -0.588 -8.672 1.00 0.00 N ATOM 831 CA GLU A 54 72.362 -0.177 -8.785 1.00 0.00 C ATOM 832 C GLU A 54 72.492 1.354 -8.715 1.00 0.00 C ATOM 833 O GLU A 54 71.667 2.077 -9.241 1.00 0.00 O ATOM 834 CB GLU A 54 72.839 -0.728 -10.146 1.00 0.00 C ATOM 835 CG GLU A 54 72.142 -0.009 -11.319 1.00 0.00 C ATOM 836 CD GLU A 54 72.597 -0.618 -12.652 1.00 0.00 C ATOM 837 OE1 GLU A 54 73.689 -1.165 -12.699 1.00 0.00 O ATOM 838 OE2 GLU A 54 71.842 -0.525 -13.606 1.00 0.00 O ATOM 0 H GLU A 54 70.430 -0.668 -9.559 1.00 0.00 H new ATOM 0 HA GLU A 54 72.969 -0.568 -7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.919 -0.605 -10.232 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.634 -1.797 -10.199 1.00 0.00 H new ATOM 0 HG2 GLU A 54 71.060 -0.098 -11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.378 1.055 -11.296 1.00 0.00 H new ATOM 845 N VAL A 55 73.524 1.841 -8.070 1.00 0.00 N ATOM 846 CA VAL A 55 73.765 3.318 -8.024 1.00 0.00 C ATOM 847 C VAL A 55 74.938 3.671 -8.938 1.00 0.00 C ATOM 848 O VAL A 55 76.018 3.128 -8.796 1.00 0.00 O ATOM 849 CB VAL A 55 74.123 3.626 -6.562 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.377 5.130 -6.387 1.00 0.00 C ATOM 851 CG2 VAL A 55 72.969 3.204 -5.646 1.00 0.00 C ATOM 0 H VAL A 55 74.213 1.277 -7.571 1.00 0.00 H new ATOM 0 HA VAL A 55 72.899 3.890 -8.357 1.00 0.00 H new ATOM 0 HB VAL A 55 75.024 3.073 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.630 5.338 -5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.202 5.437 -7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.479 5.685 -6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 55 73.227 3.424 -4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 55 72.068 3.753 -5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.790 2.134 -5.756 1.00 0.00 H new ATOM 861 N VAL A 56 74.734 4.568 -9.872 1.00 0.00 N ATOM 862 CA VAL A 56 75.866 5.014 -10.743 1.00 0.00 C ATOM 863 C VAL A 56 76.021 6.530 -10.646 1.00 0.00 C ATOM 864 O VAL A 56 75.164 7.279 -11.078 1.00 0.00 O ATOM 865 CB VAL A 56 75.509 4.598 -12.171 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.698 4.909 -13.078 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.218 3.093 -12.228 1.00 0.00 C ATOM 0 H VAL A 56 73.836 5.009 -10.068 1.00 0.00 H new ATOM 0 HA VAL A 56 76.811 4.564 -10.437 1.00 0.00 H new ATOM 0 HB VAL A 56 74.623 5.143 -12.497 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.461 4.618 -14.101 1.00 0.00 H new ATOM 0 HG12 VAL A 56 76.912 5.977 -13.044 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.571 4.353 -12.736 1.00 0.00 H new ATOM 0 HG21 VAL A 56 74.965 2.810 -13.250 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.100 2.539 -11.906 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.382 2.859 -11.569 1.00 0.00 H new ATOM 877 N LEU A 57 77.108 6.979 -10.083 1.00 0.00 N ATOM 878 CA LEU A 57 77.290 8.440 -9.840 1.00 0.00 C ATOM 879 C LEU A 57 78.635 8.913 -10.397 1.00 0.00 C ATOM 880 O LEU A 57 79.637 8.232 -10.277 1.00 0.00 O ATOM 881 CB LEU A 57 77.207 8.572 -8.321 1.00 0.00 C ATOM 882 CG LEU A 57 75.728 8.581 -7.915 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.564 7.975 -6.526 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.221 10.024 -7.889 1.00 0.00 C ATOM 0 H LEU A 57 77.885 6.393 -9.778 1.00 0.00 H new ATOM 0 HA LEU A 57 76.544 9.060 -10.337 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.727 7.744 -7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.696 9.489 -7.993 1.00 0.00 H new ATOM 0 HG LEU A 57 75.158 7.995 -8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.511 7.986 -6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.927 6.947 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.137 8.558 -5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.170 10.035 -7.601 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.801 10.600 -7.168 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.330 10.466 -8.879 1.00 0.00 H new ATOM 896 N LYS A 58 78.658 10.073 -11.007 1.00 0.00 N ATOM 897 CA LYS A 58 79.919 10.570 -11.646 1.00 0.00 C ATOM 898 C LYS A 58 80.915 11.035 -10.579 1.00 0.00 C ATOM 899 O LYS A 58 80.547 11.674 -9.611 1.00 0.00 O ATOM 900 CB LYS A 58 79.487 11.751 -12.519 1.00 0.00 C ATOM 901 CG LYS A 58 78.560 11.253 -13.629 1.00 0.00 C ATOM 902 CD LYS A 58 78.224 12.412 -14.571 1.00 0.00 C ATOM 903 CE LYS A 58 77.205 11.944 -15.612 1.00 0.00 C ATOM 904 NZ LYS A 58 76.926 13.148 -16.444 1.00 0.00 N ATOM 0 H LYS A 58 77.857 10.699 -11.091 1.00 0.00 H new ATOM 0 HA LYS A 58 80.415 9.791 -12.225 1.00 0.00 H new ATOM 0 HB2 LYS A 58 78.976 12.498 -11.912 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.362 12.236 -12.952 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.040 10.447 -14.184 1.00 0.00 H new ATOM 0 HG3 LYS A 58 77.646 10.844 -13.198 1.00 0.00 H new ATOM 0 HD2 LYS A 58 77.821 13.251 -14.003 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.128 12.767 -15.065 1.00 0.00 H new ATOM 0 HE2 LYS A 58 77.604 11.130 -16.217 1.00 0.00 H new ATOM 0 HE3 LYS A 58 76.297 11.573 -15.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 76.234 12.907 -17.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 76.541 13.904 -15.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 77.808 13.474 -16.889 1.00 0.00 H new ATOM 918 N CYS A 59 82.175 10.715 -10.755 1.00 0.00 N ATOM 919 CA CYS A 59 83.227 11.184 -9.790 1.00 0.00 C ATOM 920 C CYS A 59 83.194 12.714 -9.644 1.00 0.00 C ATOM 921 O CYS A 59 83.490 13.250 -8.593 1.00 0.00 O ATOM 922 CB CYS A 59 84.569 10.726 -10.389 1.00 0.00 C ATOM 923 SG CYS A 59 84.804 11.428 -12.047 1.00 0.00 S ATOM 0 H CYS A 59 82.524 10.147 -11.527 1.00 0.00 H new ATOM 0 HA CYS A 59 83.067 10.773 -8.793 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.387 11.034 -9.739 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.597 9.638 -10.442 1.00 0.00 H new ATOM 0 HG CYS A 59 85.293 10.519 -12.838 1.00 0.00 H new ATOM 929 N THR A 60 82.835 13.408 -10.696 1.00 0.00 N ATOM 930 CA THR A 60 82.782 14.905 -10.637 1.00 0.00 C ATOM 931 C THR A 60 81.698 15.364 -9.655 1.00 0.00 C ATOM 932 O THR A 60 81.766 16.453 -9.113 1.00 0.00 O ATOM 933 CB THR A 60 82.439 15.362 -12.060 1.00 0.00 C ATOM 934 OG1 THR A 60 81.180 14.824 -12.437 1.00 0.00 O ATOM 935 CG2 THR A 60 83.518 14.878 -13.031 1.00 0.00 C ATOM 0 H THR A 60 82.576 13.003 -11.595 1.00 0.00 H new ATOM 0 HA THR A 60 83.726 15.328 -10.293 1.00 0.00 H new ATOM 0 HB THR A 60 82.393 16.451 -12.091 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.958 15.116 -13.346 1.00 0.00 H new ATOM 0 HG21 THR A 60 83.271 15.204 -14.041 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.482 15.295 -12.740 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.570 13.790 -13.004 1.00 0.00 H new ATOM 943 N ASP A 61 80.701 14.542 -9.421 1.00 0.00 N ATOM 944 CA ASP A 61 79.623 14.912 -8.454 1.00 0.00 C ATOM 945 C ASP A 61 80.002 14.470 -7.034 1.00 0.00 C ATOM 946 O ASP A 61 79.492 14.997 -6.062 1.00 0.00 O ATOM 947 CB ASP A 61 78.377 14.167 -8.939 1.00 0.00 C ATOM 948 CG ASP A 61 77.979 14.669 -10.332 1.00 0.00 C ATOM 949 OD1 ASP A 61 78.242 15.824 -10.628 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.416 13.885 -11.080 1.00 0.00 O ATOM 0 H ASP A 61 80.589 13.628 -9.861 1.00 0.00 H new ATOM 0 HA ASP A 61 79.461 15.989 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.573 13.095 -8.971 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.555 14.320 -8.239 1.00 0.00 H new ATOM 955 N ILE A 62 80.890 13.510 -6.908 1.00 0.00 N ATOM 956 CA ILE A 62 81.353 13.078 -5.552 1.00 0.00 C ATOM 957 C ILE A 62 82.423 14.048 -5.038 1.00 0.00 C ATOM 958 O ILE A 62 83.281 14.487 -5.783 1.00 0.00 O ATOM 959 CB ILE A 62 81.946 11.676 -5.755 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.871 10.737 -6.316 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.442 11.127 -4.413 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.513 9.424 -6.775 1.00 0.00 C ATOM 0 H ILE A 62 81.314 13.007 -7.688 1.00 0.00 H new ATOM 0 HA ILE A 62 80.546 13.069 -4.820 1.00 0.00 H new ATOM 0 HB ILE A 62 82.779 11.739 -6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 62 80.117 10.537 -5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.360 11.214 -7.152 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.862 10.132 -4.560 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.209 11.789 -4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.608 11.069 -3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.743 8.762 -7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 62 82.250 9.631 -7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 62 82.003 8.943 -5.928 1.00 0.00 H new ATOM 974 N ARG A 63 82.376 14.381 -3.770 1.00 0.00 N ATOM 975 CA ARG A 63 83.380 15.328 -3.198 1.00 0.00 C ATOM 976 C ARG A 63 84.456 14.564 -2.421 1.00 0.00 C ATOM 977 O ARG A 63 85.568 15.039 -2.272 1.00 0.00 O ATOM 978 CB ARG A 63 82.583 16.240 -2.264 1.00 0.00 C ATOM 979 CG ARG A 63 81.538 17.013 -3.071 1.00 0.00 C ATOM 980 CD ARG A 63 82.232 18.103 -3.898 1.00 0.00 C ATOM 981 NE ARG A 63 82.739 19.104 -2.900 1.00 0.00 N ATOM 982 CZ ARG A 63 83.428 20.169 -3.273 1.00 0.00 C ATOM 983 NH1 ARG A 63 83.708 20.411 -4.536 1.00 0.00 N ATOM 984 NH2 ARG A 63 83.842 21.006 -2.362 1.00 0.00 N ATOM 0 H ARG A 63 81.683 14.036 -3.106 1.00 0.00 H new ATOM 0 HA ARG A 63 83.897 15.894 -3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 63 82.095 15.648 -1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 63 83.253 16.935 -1.758 1.00 0.00 H new ATOM 0 HG2 ARG A 63 80.995 16.334 -3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 63 80.805 17.462 -2.401 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.050 17.688 -4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 63 81.537 18.565 -4.599 1.00 0.00 H new ATOM 0 HE ARG A 63 82.547 18.959 -1.909 1.00 0.00 H new ATOM 0 HH11 ARG A 63 83.391 19.767 -5.261 1.00 0.00 H new ATOM 0 HH12 ARG A 63 84.242 21.242 -4.790 1.00 0.00 H new ATOM 0 HH21 ARG A 63 83.633 20.834 -1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 63 84.375 21.832 -2.633 1.00 0.00 H new ATOM 998 N SER A 64 84.138 13.389 -1.924 1.00 0.00 N ATOM 999 CA SER A 64 85.168 12.577 -1.198 1.00 0.00 C ATOM 1000 C SER A 64 84.760 11.103 -1.148 1.00 0.00 C ATOM 1001 O SER A 64 83.590 10.775 -1.166 1.00 0.00 O ATOM 1002 CB SER A 64 85.225 13.170 0.209 1.00 0.00 C ATOM 1003 OG SER A 64 85.783 14.476 0.146 1.00 0.00 O ATOM 0 H SER A 64 83.215 12.960 -1.990 1.00 0.00 H new ATOM 0 HA SER A 64 86.138 12.612 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 64 84.225 13.210 0.640 1.00 0.00 H new ATOM 0 HB3 SER A 64 85.827 12.536 0.859 1.00 0.00 H new ATOM 0 HG SER A 64 86.217 14.605 -0.723 1.00 0.00 H new ATOM 1009 N ILE A 65 85.723 10.214 -1.083 1.00 0.00 N ATOM 1010 CA ILE A 65 85.407 8.751 -1.038 1.00 0.00 C ATOM 1011 C ILE A 65 86.345 8.047 -0.048 1.00 0.00 C ATOM 1012 O ILE A 65 87.494 8.419 0.101 1.00 0.00 O ATOM 1013 CB ILE A 65 85.630 8.215 -2.458 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.763 8.994 -3.460 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.251 6.728 -2.499 1.00 0.00 C ATOM 1016 CD1 ILE A 65 85.066 8.521 -4.885 1.00 0.00 C ATOM 0 H ILE A 65 86.717 10.440 -1.059 1.00 0.00 H new ATOM 0 HA ILE A 65 84.383 8.572 -0.709 1.00 0.00 H new ATOM 0 HB ILE A 65 86.679 8.338 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.707 8.845 -3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.960 10.062 -3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.407 6.340 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.874 6.174 -1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.203 6.612 -2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.449 9.076 -5.592 1.00 0.00 H new ATOM 0 HD12 ILE A 65 86.119 8.693 -5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.846 7.457 -4.970 1.00 0.00 H new ATOM 1028 N ASP A 66 85.854 7.036 0.623 1.00 0.00 N ATOM 1029 CA ASP A 66 86.703 6.283 1.596 1.00 0.00 C ATOM 1030 C ASP A 66 86.444 4.776 1.482 1.00 0.00 C ATOM 1031 O ASP A 66 85.309 4.342 1.497 1.00 0.00 O ATOM 1032 CB ASP A 66 86.276 6.803 2.976 1.00 0.00 C ATOM 1033 CG ASP A 66 84.783 6.541 3.209 1.00 0.00 C ATOM 1034 OD1 ASP A 66 83.985 7.025 2.423 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.463 5.861 4.171 1.00 0.00 O ATOM 0 H ASP A 66 84.895 6.698 0.538 1.00 0.00 H new ATOM 0 HA ASP A 66 87.768 6.430 1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 66 86.863 6.314 3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.480 7.871 3.048 1.00 0.00 H new ATOM 1040 N LEU A 67 87.483 3.983 1.366 1.00 0.00 N ATOM 1041 CA LEU A 67 87.297 2.497 1.372 1.00 0.00 C ATOM 1042 C LEU A 67 87.071 2.005 2.805 1.00 0.00 C ATOM 1043 O LEU A 67 87.954 2.083 3.640 1.00 0.00 O ATOM 1044 CB LEU A 67 88.609 1.929 0.817 1.00 0.00 C ATOM 1045 CG LEU A 67 88.621 2.034 -0.723 1.00 0.00 C ATOM 1046 CD1 LEU A 67 89.937 2.664 -1.192 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.492 0.635 -1.341 1.00 0.00 C ATOM 0 H LEU A 67 88.448 4.299 1.268 1.00 0.00 H new ATOM 0 HA LEU A 67 86.435 2.186 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.456 2.475 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 67 88.721 0.888 1.119 1.00 0.00 H new ATOM 0 HG LEU A 67 87.783 2.655 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 67 89.939 2.735 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 67 90.036 3.661 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.773 2.044 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.501 0.715 -2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.328 0.015 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.556 0.180 -1.019 1.00 0.00 H new ATOM 1059 N ILE A 68 85.895 1.500 3.094 1.00 0.00 N ATOM 1060 CA ILE A 68 85.618 0.957 4.465 1.00 0.00 C ATOM 1061 C ILE A 68 86.358 -0.370 4.653 1.00 0.00 C ATOM 1062 O ILE A 68 86.987 -0.605 5.668 1.00 0.00 O ATOM 1063 CB ILE A 68 84.100 0.737 4.522 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.371 2.061 4.259 1.00 0.00 C ATOM 1065 CG2 ILE A 68 83.708 0.217 5.908 1.00 0.00 C ATOM 1066 CD1 ILE A 68 81.861 1.811 4.166 1.00 0.00 C ATOM 0 H ILE A 68 85.114 1.440 2.441 1.00 0.00 H new ATOM 0 HA ILE A 68 85.953 1.633 5.251 1.00 0.00 H new ATOM 0 HB ILE A 68 83.818 0.009 3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 68 83.583 2.769 5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 68 83.733 2.509 3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 68 82.630 0.061 5.947 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.218 -0.727 6.100 1.00 0.00 H new ATOM 0 HG23 ILE A 68 83.997 0.946 6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.347 2.754 3.979 1.00 0.00 H new ATOM 0 HD12 ILE A 68 81.656 1.118 3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 68 81.505 1.383 5.103 1.00 0.00 H new ATOM 1078 N GLU A 69 86.279 -1.232 3.673 1.00 0.00 N ATOM 1079 CA GLU A 69 86.940 -2.566 3.772 1.00 0.00 C ATOM 1080 C GLU A 69 87.632 -2.900 2.441 1.00 0.00 C ATOM 1081 O GLU A 69 86.999 -3.424 1.545 1.00 0.00 O ATOM 1082 CB GLU A 69 85.808 -3.555 4.053 1.00 0.00 C ATOM 1083 CG GLU A 69 85.561 -3.634 5.560 1.00 0.00 C ATOM 1084 CD GLU A 69 84.163 -4.196 5.821 1.00 0.00 C ATOM 1085 OE1 GLU A 69 83.756 -5.082 5.087 1.00 0.00 O ATOM 1086 OE2 GLU A 69 83.521 -3.732 6.749 1.00 0.00 O ATOM 0 H GLU A 69 85.779 -1.066 2.799 1.00 0.00 H new ATOM 0 HA GLU A 69 87.702 -2.597 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 69 84.899 -3.239 3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.067 -4.540 3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.313 -4.269 6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 69 85.656 -2.644 6.007 1.00 0.00 H new