USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 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 Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -157:sc= -0.189 (180deg=-1.06) USER MOD Single : A 23 LYS NZ :NH3+ -123:sc= -1.35 (180deg=-5.24!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -138:sc= -0.704 (180deg=-2.55!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.026) USER MOD Single : A 42 THR OG1 : rot -6:sc= 1.12 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 41:sc= 1.24 USER MOD Single : A 60 SER OG : rot -69:sc= -0.376 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -3.49! C(o=-3.5!,f=-7.8!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= 0.0294 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 80 THR OG1 : rot 39:sc= 0.186 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HE2:sc= -7.28! C(o=-7.3!,f=-8.6!) USER MOD Single : A 102 CYS SG : rot -84:sc= 0.0185 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N TRP A 12 -7.554 -2.297 2.240 1.00 0.00 N ATOM 130 CA TRP A 12 -7.257 -1.173 1.360 1.00 0.00 C ATOM 131 C TRP A 12 -8.323 -1.033 0.278 1.00 0.00 C ATOM 132 O TRP A 12 -9.295 -1.788 0.250 1.00 0.00 O ATOM 133 CB TRP A 12 -5.881 -1.350 0.717 1.00 0.00 C ATOM 134 CG TRP A 12 -4.789 -1.605 1.712 1.00 0.00 C ATOM 135 CD1 TRP A 12 -4.102 -0.670 2.432 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.258 -2.878 2.094 1.00 0.00 C ATOM 137 NE1 TRP A 12 -3.176 -1.285 3.239 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.252 -2.640 3.051 1.00 0.00 C ATOM 139 CE3 TRP A 12 -4.535 -4.197 1.723 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.524 -3.671 3.639 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -3.812 -5.219 2.307 1.00 0.00 C ATOM 142 CH2 TRP A 12 -2.817 -4.952 3.257 1.00 0.00 C ATOM 0 HA TRP A 12 -7.254 -0.264 1.962 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.921 -2.180 0.012 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.638 -0.456 0.143 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.263 0.396 2.375 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.536 -0.810 3.875 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.301 -4.413 0.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.756 -3.467 4.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.017 -6.242 2.027 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.271 -5.773 3.696 1.00 0.00 H new ATOM 153 N SER A 13 -8.134 -0.063 -0.611 1.00 0.00 N ATOM 154 CA SER A 13 -9.082 0.178 -1.692 1.00 0.00 C ATOM 155 C SER A 13 -8.464 -0.171 -3.043 1.00 0.00 C ATOM 156 O SER A 13 -7.264 -0.007 -3.267 1.00 0.00 O ATOM 157 CB SER A 13 -9.534 1.639 -1.687 1.00 0.00 C ATOM 158 OG SER A 13 -10.689 1.813 -0.885 1.00 0.00 O ATOM 0 H SER A 13 -7.333 0.569 -0.604 1.00 0.00 H new ATOM 0 HA SER A 13 -9.949 -0.463 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.729 2.271 -1.312 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.744 1.961 -2.707 1.00 0.00 H new ATOM 0 HG SER A 13 -10.957 2.756 -0.897 1.00 0.00 H new ATOM 164 N PRO A 14 -9.302 -0.664 -3.967 1.00 0.00 N ATOM 165 CA PRO A 14 -8.862 -1.046 -5.312 1.00 0.00 C ATOM 166 C PRO A 14 -8.481 0.162 -6.162 1.00 0.00 C ATOM 167 O PRO A 14 -8.103 0.019 -7.324 1.00 0.00 O ATOM 168 CB PRO A 14 -10.089 -1.747 -5.901 1.00 0.00 C ATOM 169 CG PRO A 14 -11.246 -1.175 -5.157 1.00 0.00 C ATOM 170 CD PRO A 14 -10.745 -0.886 -3.769 1.00 0.00 C ATOM 0 HA PRO A 14 -7.968 -1.670 -5.286 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.176 -1.561 -6.971 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.029 -2.827 -5.769 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.608 -0.266 -5.638 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.080 -1.877 -5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.231 -0.010 -3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -10.934 -1.719 -3.092 1.00 0.00 H new ATOM 178 N GLU A 15 -8.582 1.349 -5.573 1.00 0.00 N ATOM 179 CA GLU A 15 -8.246 2.581 -6.278 1.00 0.00 C ATOM 180 C GLU A 15 -6.885 3.108 -5.835 1.00 0.00 C ATOM 181 O GLU A 15 -6.716 3.544 -4.695 1.00 0.00 O ATOM 182 CB GLU A 15 -9.321 3.643 -6.034 1.00 0.00 C ATOM 183 CG GLU A 15 -9.216 4.313 -4.674 1.00 0.00 C ATOM 184 CD GLU A 15 -10.537 4.894 -4.207 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.041 5.827 -4.867 1.00 0.00 O ATOM 186 OE2 GLU A 15 -11.066 4.416 -3.182 1.00 0.00 O ATOM 0 H GLU A 15 -8.893 1.484 -4.611 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.200 2.359 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.251 4.404 -6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.304 3.181 -6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.863 3.587 -3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.470 5.107 -4.721 1.00 0.00 H new ATOM 193 N VAL A 16 -5.916 3.066 -6.743 1.00 0.00 N ATOM 194 CA VAL A 16 -4.569 3.539 -6.448 1.00 0.00 C ATOM 195 C VAL A 16 -4.417 5.016 -6.793 1.00 0.00 C ATOM 196 O VAL A 16 -4.977 5.496 -7.779 1.00 0.00 O ATOM 197 CB VAL A 16 -3.508 2.732 -7.219 1.00 0.00 C ATOM 198 CG1 VAL A 16 -3.857 2.668 -8.698 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.127 3.335 -7.014 1.00 0.00 C ATOM 0 H VAL A 16 -6.039 2.709 -7.690 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.413 3.400 -5.378 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.496 1.714 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.096 2.094 -9.227 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.827 2.186 -8.822 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.898 3.678 -9.106 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.390 2.752 -7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.121 4.363 -7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.879 3.323 -5.953 1.00 0.00 H new ATOM 209 N LYS A 17 -3.656 5.735 -5.974 1.00 0.00 N ATOM 210 CA LYS A 17 -3.428 7.158 -6.192 1.00 0.00 C ATOM 211 C LYS A 17 -1.953 7.438 -6.463 1.00 0.00 C ATOM 212 O LYS A 17 -1.079 6.957 -5.741 1.00 0.00 O ATOM 213 CB LYS A 17 -3.896 7.963 -4.978 1.00 0.00 C ATOM 214 CG LYS A 17 -3.239 7.537 -3.676 1.00 0.00 C ATOM 215 CD LYS A 17 -3.122 8.699 -2.704 1.00 0.00 C ATOM 216 CE LYS A 17 -4.349 8.805 -1.812 1.00 0.00 C ATOM 217 NZ LYS A 17 -5.589 9.048 -2.600 1.00 0.00 N ATOM 0 H LYS A 17 -3.186 5.354 -5.152 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.004 7.462 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.689 9.019 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.977 7.862 -4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.821 6.736 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.248 7.133 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.232 8.571 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.993 9.628 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.459 7.886 -1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.209 9.615 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.306 9.491 -1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.375 9.679 -3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.953 8.144 -2.962 1.00 0.00 H new ATOM 231 N ILE A 18 -1.685 8.218 -7.505 1.00 0.00 N ATOM 232 CA ILE A 18 -0.316 8.562 -7.867 1.00 0.00 C ATOM 233 C ILE A 18 0.130 9.846 -7.174 1.00 0.00 C ATOM 234 O ILE A 18 -0.347 10.935 -7.494 1.00 0.00 O ATOM 235 CB ILE A 18 -0.164 8.735 -9.390 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.630 7.472 -10.118 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.281 9.055 -9.745 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.155 6.235 -9.743 1.00 0.00 C ATOM 0 H ILE A 18 -2.397 8.623 -8.113 1.00 0.00 H new ATOM 0 HA ILE A 18 0.315 7.736 -7.538 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.790 9.568 -9.711 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.684 7.304 -9.899 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.550 7.631 -11.193 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.373 9.174 -10.825 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.581 9.979 -9.251 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.926 8.241 -9.414 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.229 5.378 -10.297 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.207 6.383 -9.988 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.054 6.051 -8.673 1.00 0.00 H new ATOM 250 N VAL A 19 1.049 9.710 -6.224 1.00 0.00 N ATOM 251 CA VAL A 19 1.562 10.859 -5.487 1.00 0.00 C ATOM 252 C VAL A 19 2.913 11.304 -6.035 1.00 0.00 C ATOM 253 O VAL A 19 3.824 10.493 -6.201 1.00 0.00 O ATOM 254 CB VAL A 19 1.707 10.543 -3.986 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.389 11.695 -3.262 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.349 10.245 -3.371 1.00 0.00 C ATOM 0 H VAL A 19 1.454 8.816 -5.946 1.00 0.00 H new ATOM 0 HA VAL A 19 0.839 11.665 -5.613 1.00 0.00 H new ATOM 0 HB VAL A 19 2.331 9.656 -3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.483 11.454 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.380 11.856 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.793 12.601 -3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.470 10.024 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.302 11.111 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.097 9.386 -3.872 1.00 0.00 H new ATOM 266 N GLU A 20 3.036 12.598 -6.313 1.00 0.00 N ATOM 267 CA GLU A 20 4.277 13.151 -6.843 1.00 0.00 C ATOM 268 C GLU A 20 5.226 13.537 -5.712 1.00 0.00 C ATOM 269 O GLU A 20 5.026 14.547 -5.036 1.00 0.00 O ATOM 270 CB GLU A 20 3.985 14.371 -7.718 1.00 0.00 C ATOM 271 CG GLU A 20 3.670 14.023 -9.163 1.00 0.00 C ATOM 272 CD GLU A 20 2.727 15.018 -9.811 1.00 0.00 C ATOM 273 OE1 GLU A 20 2.965 16.236 -9.674 1.00 0.00 O ATOM 274 OE2 GLU A 20 1.750 14.579 -10.454 1.00 0.00 O ATOM 0 H GLU A 20 2.292 13.283 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 20 4.757 12.384 -7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.144 14.919 -7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.846 15.039 -7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.598 13.983 -9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.227 13.028 -9.205 1.00 0.00 H new ATOM 281 N LEU A 21 6.259 12.727 -5.512 1.00 0.00 N ATOM 282 CA LEU A 21 7.241 12.982 -4.464 1.00 0.00 C ATOM 283 C LEU A 21 8.583 13.390 -5.062 1.00 0.00 C ATOM 284 O LEU A 21 9.149 12.675 -5.890 1.00 0.00 O ATOM 285 CB LEU A 21 7.416 11.740 -3.588 1.00 0.00 C ATOM 286 CG LEU A 21 6.344 11.514 -2.522 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.835 10.531 -1.470 1.00 0.00 C ATOM 288 CD2 LEU A 21 5.947 12.834 -1.876 1.00 0.00 C ATOM 0 H LEU A 21 6.439 11.887 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 21 6.874 13.804 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.446 10.864 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.385 11.803 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 21 5.464 11.089 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.058 10.383 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.068 9.578 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.731 10.927 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.183 12.654 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.821 13.287 -1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.552 13.507 -2.637 1.00 0.00 H new ATOM 300 N VAL A 22 9.090 14.542 -4.636 1.00 0.00 N ATOM 301 CA VAL A 22 10.368 15.044 -5.127 1.00 0.00 C ATOM 302 C VAL A 22 11.525 14.511 -4.290 1.00 0.00 C ATOM 303 O VAL A 22 11.791 15.002 -3.193 1.00 0.00 O ATOM 304 CB VAL A 22 10.408 16.583 -5.117 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.775 17.085 -5.556 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.312 17.150 -6.006 1.00 0.00 C ATOM 0 H VAL A 22 8.635 15.146 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 22 10.473 14.692 -6.153 1.00 0.00 H new ATOM 0 HB VAL A 22 10.232 16.927 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.784 18.175 -5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.537 16.707 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.985 16.733 -6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.355 18.239 -5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.455 16.799 -7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.340 16.819 -5.641 1.00 0.00 H new ATOM 316 N LYS A 23 12.213 13.502 -4.816 1.00 0.00 N ATOM 317 CA LYS A 23 13.344 12.902 -4.119 1.00 0.00 C ATOM 318 C LYS A 23 14.562 13.819 -4.168 1.00 0.00 C ATOM 319 O LYS A 23 14.690 14.649 -5.068 1.00 0.00 O ATOM 320 CB LYS A 23 13.689 11.545 -4.738 1.00 0.00 C ATOM 321 CG LYS A 23 14.952 10.921 -4.171 1.00 0.00 C ATOM 322 CD LYS A 23 15.321 9.643 -4.905 1.00 0.00 C ATOM 323 CE LYS A 23 16.824 9.406 -4.891 1.00 0.00 C ATOM 324 NZ LYS A 23 17.248 8.611 -3.706 1.00 0.00 N ATOM 0 H LYS A 23 12.006 13.083 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 23 13.061 12.758 -3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.855 10.861 -4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.805 11.665 -5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.774 11.633 -4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.808 10.705 -3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.814 8.797 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.970 9.700 -5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.118 8.885 -5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.343 10.365 -4.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.959 9.144 -3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.423 8.424 -3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.658 7.709 -4.022 1.00 0.00 H new ATOM 338 N ASP A 24 15.454 13.662 -3.196 1.00 0.00 N ATOM 339 CA ASP A 24 16.664 14.475 -3.130 1.00 0.00 C ATOM 340 C ASP A 24 17.898 13.598 -2.942 1.00 0.00 C ATOM 341 O ASP A 24 17.805 12.370 -2.944 1.00 0.00 O ATOM 342 CB ASP A 24 16.562 15.486 -1.988 1.00 0.00 C ATOM 343 CG ASP A 24 15.440 16.484 -2.196 1.00 0.00 C ATOM 344 OD1 ASP A 24 15.170 16.838 -3.362 1.00 0.00 O ATOM 345 OD2 ASP A 24 14.832 16.911 -1.192 1.00 0.00 O ATOM 0 H ASP A 24 15.363 12.980 -2.443 1.00 0.00 H new ATOM 0 HA ASP A 24 16.763 15.013 -4.073 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.402 14.955 -1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.507 16.021 -1.895 1.00 0.00 H new ATOM 350 N CYS A 25 19.051 14.236 -2.779 1.00 0.00 N ATOM 351 CA CYS A 25 20.305 13.514 -2.591 1.00 0.00 C ATOM 352 C CYS A 25 20.134 12.382 -1.583 1.00 0.00 C ATOM 353 O CYS A 25 20.398 11.219 -1.888 1.00 0.00 O ATOM 354 CB CYS A 25 21.402 14.470 -2.123 1.00 0.00 C ATOM 355 SG CYS A 25 23.080 13.902 -2.486 1.00 0.00 S ATOM 0 H CYS A 25 19.144 15.252 -2.773 1.00 0.00 H new ATOM 0 HA CYS A 25 20.595 13.082 -3.549 1.00 0.00 H new ATOM 0 HB2 CYS A 25 21.249 15.441 -2.594 1.00 0.00 H new ATOM 0 HB3 CYS A 25 21.305 14.619 -1.048 1.00 0.00 H new ATOM 0 HG CYS A 25 23.938 14.778 -2.054 1.00 0.00 H new ATOM 361 N LYS A 26 19.693 12.731 -0.379 1.00 0.00 N ATOM 362 CA LYS A 26 19.487 11.746 0.676 1.00 0.00 C ATOM 363 C LYS A 26 18.433 10.722 0.266 1.00 0.00 C ATOM 364 O LYS A 26 18.435 9.589 0.745 1.00 0.00 O ATOM 365 CB LYS A 26 19.065 12.438 1.973 1.00 0.00 C ATOM 366 CG LYS A 26 17.787 13.248 1.842 1.00 0.00 C ATOM 367 CD LYS A 26 17.304 13.751 3.192 1.00 0.00 C ATOM 368 CE LYS A 26 17.998 15.047 3.585 1.00 0.00 C ATOM 369 NZ LYS A 26 19.411 14.818 3.992 1.00 0.00 N ATOM 0 H LYS A 26 19.471 13.689 -0.110 1.00 0.00 H new ATOM 0 HA LYS A 26 20.430 11.224 0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.930 11.685 2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.870 13.095 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.959 14.095 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.012 12.634 1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.226 13.910 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.490 12.992 3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.970 15.743 2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.455 15.515 4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.628 15.393 4.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.549 13.812 4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 20.045 15.089 3.213 1.00 0.00 H new ATOM 383 N GLY A 27 17.533 11.130 -0.624 1.00 0.00 N ATOM 384 CA GLY A 27 16.486 10.236 -1.083 1.00 0.00 C ATOM 385 C GLY A 27 15.111 10.661 -0.608 1.00 0.00 C ATOM 386 O GLY A 27 14.783 11.848 -0.614 1.00 0.00 O ATOM 0 H GLY A 27 17.510 12.063 -1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.495 10.200 -2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.693 9.226 -0.728 1.00 0.00 H new ATOM 390 N LEU A 28 14.303 9.690 -0.197 1.00 0.00 N ATOM 391 CA LEU A 28 12.953 9.969 0.281 1.00 0.00 C ATOM 392 C LEU A 28 12.960 10.291 1.773 1.00 0.00 C ATOM 393 O LEU A 28 14.018 10.377 2.394 1.00 0.00 O ATOM 394 CB LEU A 28 12.037 8.775 0.010 1.00 0.00 C ATOM 395 CG LEU A 28 11.579 8.596 -1.438 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.071 9.913 -2.004 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.713 8.049 -2.292 1.00 0.00 C ATOM 0 H LEU A 28 14.559 8.703 -0.185 1.00 0.00 H new ATOM 0 HA LEU A 28 12.575 10.838 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.554 7.868 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.153 8.870 0.641 1.00 0.00 H new ATOM 0 HG LEU A 28 10.760 7.877 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.750 9.766 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.229 10.264 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.870 10.654 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.369 7.928 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.553 8.744 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.031 7.083 -1.900 1.00 0.00 H new ATOM 409 N GLY A 29 11.771 10.465 2.341 1.00 0.00 N ATOM 410 CA GLY A 29 11.663 10.772 3.755 1.00 0.00 C ATOM 411 C GLY A 29 10.657 9.888 4.466 1.00 0.00 C ATOM 412 O GLY A 29 10.005 10.317 5.417 1.00 0.00 O ATOM 0 H GLY A 29 10.881 10.399 1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.640 10.656 4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.374 11.816 3.876 1.00 0.00 H new ATOM 416 N PHE A 30 10.530 8.649 4.002 1.00 0.00 N ATOM 417 CA PHE A 30 9.594 7.702 4.597 1.00 0.00 C ATOM 418 C PHE A 30 10.208 6.307 4.675 1.00 0.00 C ATOM 419 O PHE A 30 11.311 6.074 4.181 1.00 0.00 O ATOM 420 CB PHE A 30 8.297 7.657 3.788 1.00 0.00 C ATOM 421 CG PHE A 30 8.501 7.271 2.350 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.512 5.939 1.971 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.681 8.242 1.378 1.00 0.00 C ATOM 424 CE1 PHE A 30 8.699 5.580 0.649 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.868 7.890 0.055 1.00 0.00 C ATOM 426 CZ PHE A 30 8.878 6.558 -0.310 1.00 0.00 C ATOM 0 H PHE A 30 11.063 8.277 3.216 1.00 0.00 H new ATOM 0 HA PHE A 30 9.370 8.038 5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.612 6.947 4.253 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.818 8.635 3.829 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.373 5.171 2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.675 9.285 1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.705 4.538 0.367 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.006 8.656 -0.693 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.026 6.281 -1.344 1.00 0.00 H new ATOM 436 N SER A 31 9.485 5.383 5.300 1.00 0.00 N ATOM 437 CA SER A 31 9.959 4.012 5.447 1.00 0.00 C ATOM 438 C SER A 31 8.923 3.020 4.924 1.00 0.00 C ATOM 439 O SER A 31 7.813 3.403 4.554 1.00 0.00 O ATOM 440 CB SER A 31 10.273 3.713 6.914 1.00 0.00 C ATOM 441 OG SER A 31 11.574 4.157 7.257 1.00 0.00 O ATOM 0 H SER A 31 8.569 5.559 5.713 1.00 0.00 H new ATOM 0 HA SER A 31 10.870 3.904 4.859 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.538 4.202 7.554 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.191 2.641 7.096 1.00 0.00 H new ATOM 0 HG SER A 31 11.750 3.956 8.200 1.00 0.00 H new ATOM 447 N ILE A 32 9.296 1.745 4.898 1.00 0.00 N ATOM 448 CA ILE A 32 8.400 0.698 4.422 1.00 0.00 C ATOM 449 C ILE A 32 8.633 -0.608 5.173 1.00 0.00 C ATOM 450 O ILE A 32 9.708 -0.833 5.731 1.00 0.00 O ATOM 451 CB ILE A 32 8.578 0.448 2.913 1.00 0.00 C ATOM 452 CG1 ILE A 32 10.054 0.564 2.525 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.735 1.428 2.110 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.408 -0.192 1.263 1.00 0.00 C ATOM 0 H ILE A 32 10.211 1.412 5.201 1.00 0.00 H new ATOM 0 HA ILE A 32 7.383 1.044 4.607 1.00 0.00 H new ATOM 0 HB ILE A 32 8.240 -0.563 2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.305 1.616 2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.667 0.192 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.872 1.238 1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.684 1.301 2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.045 2.448 2.340 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.469 -0.065 1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.189 -1.251 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.821 0.195 0.430 1.00 0.00 H new ATOM 466 N LEU A 33 7.620 -1.468 5.183 1.00 0.00 N ATOM 467 CA LEU A 33 7.715 -2.754 5.864 1.00 0.00 C ATOM 468 C LEU A 33 6.952 -3.832 5.101 1.00 0.00 C ATOM 469 O LEU A 33 6.228 -3.538 4.149 1.00 0.00 O ATOM 470 CB LEU A 33 7.171 -2.640 7.289 1.00 0.00 C ATOM 471 CG LEU A 33 5.678 -2.921 7.462 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.320 -3.015 8.937 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.849 -1.843 6.779 1.00 0.00 C ATOM 0 H LEU A 33 6.724 -1.298 4.727 1.00 0.00 H new ATOM 0 HA LEU A 33 8.766 -3.039 5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.726 -3.330 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.376 -1.634 7.655 1.00 0.00 H new ATOM 0 HG LEU A 33 5.452 -3.878 6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.254 -3.215 9.041 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.888 -3.823 9.398 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.562 -2.074 9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.789 -2.060 6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.079 -0.873 7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.084 -1.823 5.715 1.00 0.00 H new ATOM 485 N ASP A 34 7.116 -5.079 5.527 1.00 0.00 N ATOM 486 CA ASP A 34 6.440 -6.201 4.886 1.00 0.00 C ATOM 487 C ASP A 34 5.202 -6.613 5.676 1.00 0.00 C ATOM 488 O ASP A 34 5.271 -6.835 6.886 1.00 0.00 O ATOM 489 CB ASP A 34 7.394 -7.390 4.751 1.00 0.00 C ATOM 490 CG ASP A 34 7.820 -7.945 6.096 1.00 0.00 C ATOM 491 OD1 ASP A 34 8.585 -7.260 6.805 1.00 0.00 O ATOM 492 OD2 ASP A 34 7.389 -9.067 6.438 1.00 0.00 O ATOM 0 H ASP A 34 7.711 -5.339 6.314 1.00 0.00 H new ATOM 0 HA ASP A 34 6.125 -5.883 3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.910 -8.177 4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.277 -7.082 4.192 1.00 0.00 H new ATOM 497 N TYR A 35 4.072 -6.714 4.986 1.00 0.00 N ATOM 498 CA TYR A 35 2.818 -7.095 5.624 1.00 0.00 C ATOM 499 C TYR A 35 2.297 -8.412 5.057 1.00 0.00 C ATOM 500 O TYR A 35 2.535 -8.736 3.894 1.00 0.00 O ATOM 501 CB TYR A 35 1.771 -5.997 5.436 1.00 0.00 C ATOM 502 CG TYR A 35 0.750 -5.936 6.550 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.273 -6.873 6.633 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.808 -4.942 7.519 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.208 -6.822 7.649 1.00 0.00 C ATOM 506 CE2 TYR A 35 -0.122 -4.884 8.539 1.00 0.00 C ATOM 507 CZ TYR A 35 -1.128 -5.826 8.599 1.00 0.00 C ATOM 508 OH TYR A 35 -2.057 -5.770 9.613 1.00 0.00 O ATOM 0 H TYR A 35 3.999 -6.537 3.984 1.00 0.00 H new ATOM 0 HA TYR A 35 3.008 -7.228 6.689 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.276 -5.034 5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.255 -6.157 4.490 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.338 -7.655 5.890 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.593 -4.202 7.474 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.997 -7.558 7.699 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.062 -4.106 9.285 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.857 -5.009 10.198 1.00 0.00 H new ATOM 518 N GLN A 36 1.585 -9.167 5.888 1.00 0.00 N ATOM 519 CA GLN A 36 1.030 -10.448 5.470 1.00 0.00 C ATOM 520 C GLN A 36 -0.491 -10.446 5.583 1.00 0.00 C ATOM 521 O GLN A 36 -1.044 -10.175 6.649 1.00 0.00 O ATOM 522 CB GLN A 36 1.614 -11.581 6.316 1.00 0.00 C ATOM 523 CG GLN A 36 2.867 -12.202 5.719 1.00 0.00 C ATOM 524 CD GLN A 36 3.232 -13.521 6.371 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.367 -13.720 6.805 1.00 0.00 O ATOM 526 NE2 GLN A 36 2.268 -14.432 6.445 1.00 0.00 N ATOM 0 H GLN A 36 1.379 -8.913 6.854 1.00 0.00 H new ATOM 0 HA GLN A 36 1.298 -10.608 4.426 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.846 -11.199 7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.858 -12.357 6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.717 -12.358 4.651 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.699 -11.506 5.825 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.341 -14.225 6.073 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.455 -15.338 6.874 1.00 0.00 H new ATOM 535 N ASP A 37 -1.162 -10.749 4.477 1.00 0.00 N ATOM 536 CA ASP A 37 -2.620 -10.782 4.452 1.00 0.00 C ATOM 537 C ASP A 37 -3.161 -11.694 5.548 1.00 0.00 C ATOM 538 O ASP A 37 -2.650 -12.788 5.788 1.00 0.00 O ATOM 539 CB ASP A 37 -3.117 -11.256 3.085 1.00 0.00 C ATOM 540 CG ASP A 37 -4.576 -10.918 2.851 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.444 -11.714 3.269 1.00 0.00 O ATOM 542 OD2 ASP A 37 -4.850 -9.858 2.251 1.00 0.00 O ATOM 0 H ASP A 37 -0.720 -10.975 3.586 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.985 -9.771 4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.511 -10.799 2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.979 -12.334 3.005 1.00 0.00 H new ATOM 547 N PRO A 38 -4.221 -11.235 6.231 1.00 0.00 N ATOM 548 CA PRO A 38 -4.854 -11.994 7.313 1.00 0.00 C ATOM 549 C PRO A 38 -5.594 -13.226 6.802 1.00 0.00 C ATOM 550 O PRO A 38 -5.872 -14.155 7.561 1.00 0.00 O ATOM 551 CB PRO A 38 -5.840 -10.992 7.919 1.00 0.00 C ATOM 552 CG PRO A 38 -6.142 -10.041 6.813 1.00 0.00 C ATOM 553 CD PRO A 38 -4.882 -9.940 5.998 1.00 0.00 C ATOM 0 HA PRO A 38 -4.122 -12.377 8.024 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.744 -11.489 8.271 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.405 -10.477 8.776 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.972 -10.400 6.205 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.432 -9.066 7.205 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.098 -9.784 4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.259 -9.107 6.323 1.00 0.00 H new ATOM 561 N LEU A 39 -5.910 -13.227 5.512 1.00 0.00 N ATOM 562 CA LEU A 39 -6.618 -14.346 4.898 1.00 0.00 C ATOM 563 C LEU A 39 -5.677 -15.173 4.028 1.00 0.00 C ATOM 564 O LEU A 39 -5.909 -16.361 3.801 1.00 0.00 O ATOM 565 CB LEU A 39 -7.790 -13.835 4.059 1.00 0.00 C ATOM 566 CG LEU A 39 -8.599 -12.687 4.665 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.476 -12.035 3.607 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.444 -13.186 5.828 1.00 0.00 C ATOM 0 H LEU A 39 -5.687 -12.466 4.870 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.001 -14.983 5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.405 -13.511 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.466 -14.669 3.869 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.904 -11.938 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.044 -11.221 4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.849 -11.642 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.164 -12.775 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.013 -12.356 6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.131 -13.955 5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.794 -13.605 6.596 1.00 0.00 H new ATOM 580 N ASP A 40 -4.615 -14.539 3.545 1.00 0.00 N ATOM 581 CA ASP A 40 -3.637 -15.217 2.702 1.00 0.00 C ATOM 582 C ASP A 40 -2.225 -15.027 3.248 1.00 0.00 C ATOM 583 O ASP A 40 -1.566 -14.019 2.995 1.00 0.00 O ATOM 584 CB ASP A 40 -3.717 -14.693 1.268 1.00 0.00 C ATOM 585 CG ASP A 40 -3.200 -15.695 0.255 1.00 0.00 C ATOM 586 OD1 ASP A 40 -2.375 -16.551 0.636 1.00 0.00 O ATOM 587 OD2 ASP A 40 -3.620 -15.624 -0.919 1.00 0.00 O ATOM 0 H ASP A 40 -4.409 -13.556 3.723 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.868 -16.282 2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.752 -14.444 1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.141 -13.771 1.189 1.00 0.00 H new ATOM 592 N PRO A 41 -1.748 -16.019 4.015 1.00 0.00 N ATOM 593 CA PRO A 41 -0.410 -15.984 4.613 1.00 0.00 C ATOM 594 C PRO A 41 0.694 -16.128 3.571 1.00 0.00 C ATOM 595 O PRO A 41 1.840 -15.744 3.808 1.00 0.00 O ATOM 596 CB PRO A 41 -0.413 -17.188 5.559 1.00 0.00 C ATOM 597 CG PRO A 41 -1.423 -18.120 4.983 1.00 0.00 C ATOM 598 CD PRO A 41 -2.479 -17.251 4.358 1.00 0.00 C ATOM 0 HA PRO A 41 -0.210 -15.035 5.110 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.571 -17.653 5.610 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.680 -16.893 6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.969 -18.777 4.241 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.850 -18.759 5.756 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.914 -17.719 3.475 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.298 -17.053 5.050 1.00 0.00 H new ATOM 606 N THR A 42 0.342 -16.683 2.415 1.00 0.00 N ATOM 607 CA THR A 42 1.304 -16.877 1.337 1.00 0.00 C ATOM 608 C THR A 42 1.423 -15.626 0.474 1.00 0.00 C ATOM 609 O THR A 42 2.116 -15.627 -0.543 1.00 0.00 O ATOM 610 CB THR A 42 0.911 -18.069 0.443 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.384 -17.848 -0.126 1.00 0.00 O ATOM 612 CG2 THR A 42 0.907 -19.365 1.239 1.00 0.00 C ATOM 0 H THR A 42 -0.602 -17.006 2.202 1.00 0.00 H new ATOM 0 HA THR A 42 2.266 -17.084 1.805 1.00 0.00 H new ATOM 0 HB THR A 42 1.648 -18.155 -0.355 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.774 -17.033 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.627 -20.192 0.587 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.902 -19.545 1.646 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.189 -19.288 2.056 1.00 0.00 H new ATOM 620 N ARG A 43 0.744 -14.561 0.887 1.00 0.00 N ATOM 621 CA ARG A 43 0.774 -13.303 0.151 1.00 0.00 C ATOM 622 C ARG A 43 1.163 -12.147 1.066 1.00 0.00 C ATOM 623 O ARG A 43 0.552 -11.938 2.114 1.00 0.00 O ATOM 624 CB ARG A 43 -0.590 -13.028 -0.485 1.00 0.00 C ATOM 625 CG ARG A 43 -0.734 -13.597 -1.887 1.00 0.00 C ATOM 626 CD ARG A 43 -1.823 -12.879 -2.671 1.00 0.00 C ATOM 627 NE ARG A 43 -2.322 -13.687 -3.780 1.00 0.00 N ATOM 628 CZ ARG A 43 -3.150 -13.226 -4.711 1.00 0.00 C ATOM 629 NH1 ARG A 43 -3.568 -11.968 -4.666 1.00 0.00 N ATOM 630 NH2 ARG A 43 -3.560 -14.023 -5.689 1.00 0.00 N ATOM 0 H ARG A 43 0.166 -14.544 1.727 1.00 0.00 H new ATOM 0 HA ARG A 43 1.524 -13.389 -0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.369 -13.449 0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.754 -11.951 -0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.215 -13.509 -2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.968 -14.660 -1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.648 -12.632 -2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.432 -11.937 -3.056 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.018 -14.659 -3.843 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.254 -11.353 -3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.204 -11.616 -5.382 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.240 -14.991 -5.727 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.196 -13.668 -6.403 1.00 0.00 H new ATOM 644 N SER A 44 2.185 -11.398 0.663 1.00 0.00 N ATOM 645 CA SER A 44 2.659 -10.265 1.449 1.00 0.00 C ATOM 646 C SER A 44 2.594 -8.975 0.637 1.00 0.00 C ATOM 647 O SER A 44 2.675 -8.996 -0.591 1.00 0.00 O ATOM 648 CB SER A 44 4.092 -10.510 1.924 1.00 0.00 C ATOM 649 OG SER A 44 4.234 -11.811 2.467 1.00 0.00 O ATOM 0 H SER A 44 2.700 -11.556 -0.203 1.00 0.00 H new ATOM 0 HA SER A 44 2.009 -10.160 2.318 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.782 -10.384 1.089 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.361 -9.768 2.675 1.00 0.00 H new ATOM 0 HG SER A 44 5.159 -11.943 2.762 1.00 0.00 H new ATOM 655 N VAL A 45 2.447 -7.852 1.332 1.00 0.00 N ATOM 656 CA VAL A 45 2.372 -6.551 0.677 1.00 0.00 C ATOM 657 C VAL A 45 3.125 -5.491 1.473 1.00 0.00 C ATOM 658 O VAL A 45 3.139 -5.518 2.704 1.00 0.00 O ATOM 659 CB VAL A 45 0.911 -6.099 0.493 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.140 -7.110 -0.341 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.244 -5.891 1.845 1.00 0.00 C ATOM 0 H VAL A 45 2.377 -7.817 2.349 1.00 0.00 H new ATOM 0 HA VAL A 45 2.836 -6.662 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 45 0.907 -5.148 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.890 -6.774 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.607 -7.204 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.150 -8.078 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.788 -5.572 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.258 -6.826 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.784 -5.126 2.403 1.00 0.00 H new ATOM 671 N ILE A 46 3.749 -4.558 0.762 1.00 0.00 N ATOM 672 CA ILE A 46 4.502 -3.487 1.403 1.00 0.00 C ATOM 673 C ILE A 46 3.579 -2.365 1.865 1.00 0.00 C ATOM 674 O ILE A 46 2.624 -2.008 1.175 1.00 0.00 O ATOM 675 CB ILE A 46 5.567 -2.903 0.455 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.631 -3.955 0.138 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.203 -1.666 1.071 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.487 -4.327 1.329 1.00 0.00 C ATOM 0 H ILE A 46 3.748 -4.522 -0.257 1.00 0.00 H new ATOM 0 HA ILE A 46 4.998 -3.925 2.269 1.00 0.00 H new ATOM 0 HB ILE A 46 5.083 -2.612 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.142 -4.852 -0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.274 -3.581 -0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.953 -1.265 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.435 -0.913 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.677 -1.933 2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.219 -5.077 1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.005 -3.441 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.855 -4.731 2.119 1.00 0.00 H new ATOM 690 N VAL A 47 3.871 -1.811 3.038 1.00 0.00 N ATOM 691 CA VAL A 47 3.068 -0.727 3.592 1.00 0.00 C ATOM 692 C VAL A 47 3.945 0.449 4.005 1.00 0.00 C ATOM 693 O VAL A 47 5.152 0.299 4.199 1.00 0.00 O ATOM 694 CB VAL A 47 2.253 -1.199 4.811 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.938 -0.440 4.899 1.00 0.00 C ATOM 696 CG2 VAL A 47 2.009 -2.698 4.740 1.00 0.00 C ATOM 0 H VAL A 47 4.657 -2.095 3.623 1.00 0.00 H new ATOM 0 HA VAL A 47 2.382 -0.407 2.808 1.00 0.00 H new ATOM 0 HB VAL A 47 2.827 -0.990 5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.375 -0.786 5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.139 0.626 5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.355 -0.615 3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.432 -3.014 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.455 -2.934 3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.965 -3.222 4.729 1.00 0.00 H new ATOM 706 N ILE A 48 3.331 1.620 4.139 1.00 0.00 N ATOM 707 CA ILE A 48 4.055 2.822 4.532 1.00 0.00 C ATOM 708 C ILE A 48 4.364 2.815 6.025 1.00 0.00 C ATOM 709 O ILE A 48 3.562 3.275 6.838 1.00 0.00 O ATOM 710 CB ILE A 48 3.260 4.096 4.190 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.917 4.124 2.699 1.00 0.00 C ATOM 712 CG2 ILE A 48 4.051 5.335 4.580 1.00 0.00 C ATOM 713 CD1 ILE A 48 4.110 4.395 1.809 1.00 0.00 C ATOM 0 H ILE A 48 2.333 1.761 3.981 1.00 0.00 H new ATOM 0 HA ILE A 48 4.989 2.825 3.970 1.00 0.00 H new ATOM 0 HB ILE A 48 2.330 4.089 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.474 3.168 2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.161 4.889 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.476 6.227 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.249 5.318 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.996 5.350 4.036 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.792 4.400 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.540 5.364 2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.858 3.616 1.956 1.00 0.00 H new ATOM 725 N ARG A 49 5.534 2.292 6.379 1.00 0.00 N ATOM 726 CA ARG A 49 5.950 2.226 7.775 1.00 0.00 C ATOM 727 C ARG A 49 5.622 3.527 8.502 1.00 0.00 C ATOM 728 O ARG A 49 4.800 3.548 9.418 1.00 0.00 O ATOM 729 CB ARG A 49 7.449 1.939 7.869 1.00 0.00 C ATOM 730 CG ARG A 49 7.978 1.922 9.294 1.00 0.00 C ATOM 731 CD ARG A 49 7.827 0.547 9.927 1.00 0.00 C ATOM 732 NE ARG A 49 8.817 0.316 10.976 1.00 0.00 N ATOM 733 CZ ARG A 49 9.017 -0.864 11.551 1.00 0.00 C ATOM 734 NH1 ARG A 49 8.300 -1.916 11.180 1.00 0.00 N ATOM 735 NH2 ARG A 49 9.937 -0.995 12.498 1.00 0.00 N ATOM 0 H ARG A 49 6.210 1.908 5.719 1.00 0.00 H new ATOM 0 HA ARG A 49 5.402 1.415 8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.656 0.976 7.402 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.991 2.693 7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.029 2.212 9.297 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.442 2.660 9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.825 0.449 10.346 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.928 -0.219 9.158 1.00 0.00 H new ATOM 0 HE ARG A 49 9.386 1.105 11.284 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.593 -1.820 10.451 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.456 -2.821 11.623 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.492 -0.189 12.785 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.090 -1.902 12.939 1.00 0.00 H new ATOM 749 N SER A 50 6.272 4.610 8.088 1.00 0.00 N ATOM 750 CA SER A 50 6.054 5.914 8.702 1.00 0.00 C ATOM 751 C SER A 50 6.724 7.017 7.888 1.00 0.00 C ATOM 752 O SER A 50 7.694 6.773 7.170 1.00 0.00 O ATOM 753 CB SER A 50 6.592 5.923 10.134 1.00 0.00 C ATOM 754 OG SER A 50 5.603 5.493 11.054 1.00 0.00 O ATOM 0 H SER A 50 6.954 4.610 7.330 1.00 0.00 H new ATOM 0 HA SER A 50 4.981 6.103 8.723 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.464 5.272 10.202 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.923 6.928 10.395 1.00 0.00 H new ATOM 0 HG SER A 50 5.106 4.740 10.672 1.00 0.00 H new ATOM 760 N LEU A 51 6.199 8.232 8.006 1.00 0.00 N ATOM 761 CA LEU A 51 6.745 9.374 7.282 1.00 0.00 C ATOM 762 C LEU A 51 7.661 10.200 8.179 1.00 0.00 C ATOM 763 O LEU A 51 7.208 10.833 9.133 1.00 0.00 O ATOM 764 CB LEU A 51 5.612 10.251 6.745 1.00 0.00 C ATOM 765 CG LEU A 51 4.317 9.525 6.379 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.241 10.522 5.977 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.564 8.524 5.260 1.00 0.00 C ATOM 0 H LEU A 51 5.396 8.451 8.596 1.00 0.00 H new ATOM 0 HA LEU A 51 7.332 8.996 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.381 11.009 7.493 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.973 10.775 5.860 1.00 0.00 H new ATOM 0 HG LEU A 51 3.969 8.980 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.327 9.987 5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.044 11.199 6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.580 11.096 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.631 8.017 5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.937 9.047 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.301 7.790 5.585 1.00 0.00 H new ATOM 779 N VAL A 52 8.953 10.192 7.865 1.00 0.00 N ATOM 780 CA VAL A 52 9.933 10.943 8.640 1.00 0.00 C ATOM 781 C VAL A 52 9.464 12.374 8.880 1.00 0.00 C ATOM 782 O VAL A 52 8.673 12.916 8.109 1.00 0.00 O ATOM 783 CB VAL A 52 11.302 10.974 7.936 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.274 11.863 8.696 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.857 9.565 7.789 1.00 0.00 C ATOM 0 H VAL A 52 9.345 9.673 7.079 1.00 0.00 H new ATOM 0 HA VAL A 52 10.037 10.432 9.597 1.00 0.00 H new ATOM 0 HB VAL A 52 11.169 11.393 6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.236 11.872 8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.878 12.878 8.743 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.406 11.477 9.707 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.825 9.605 7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.976 9.116 8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.168 8.963 7.197 1.00 0.00 H new ATOM 795 N ALA A 53 9.960 12.981 9.953 1.00 0.00 N ATOM 796 CA ALA A 53 9.594 14.350 10.293 1.00 0.00 C ATOM 797 C ALA A 53 9.861 15.295 9.127 1.00 0.00 C ATOM 798 O ALA A 53 11.012 15.560 8.781 1.00 0.00 O ATOM 799 CB ALA A 53 10.353 14.808 11.530 1.00 0.00 C ATOM 0 H ALA A 53 10.616 12.546 10.602 1.00 0.00 H new ATOM 0 HA ALA A 53 8.525 14.371 10.507 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.070 15.832 11.772 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.109 14.156 12.369 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.425 14.764 11.336 1.00 0.00 H new ATOM 805 N ASP A 54 8.790 15.800 8.524 1.00 0.00 N ATOM 806 CA ASP A 54 8.909 16.717 7.396 1.00 0.00 C ATOM 807 C ASP A 54 9.592 16.037 6.214 1.00 0.00 C ATOM 808 O ASP A 54 10.279 16.685 5.425 1.00 0.00 O ATOM 809 CB ASP A 54 9.692 17.965 7.806 1.00 0.00 C ATOM 810 CG ASP A 54 8.802 19.037 8.404 1.00 0.00 C ATOM 811 OD1 ASP A 54 7.838 19.452 7.727 1.00 0.00 O ATOM 812 OD2 ASP A 54 9.069 19.461 9.547 1.00 0.00 O ATOM 0 H ASP A 54 7.830 15.590 8.797 1.00 0.00 H new ATOM 0 HA ASP A 54 7.905 17.012 7.091 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.458 17.688 8.530 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.208 18.369 6.935 1.00 0.00 H new ATOM 817 N GLY A 55 9.400 14.727 6.098 1.00 0.00 N ATOM 818 CA GLY A 55 10.005 13.981 5.010 1.00 0.00 C ATOM 819 C GLY A 55 9.271 14.171 3.698 1.00 0.00 C ATOM 820 O GLY A 55 8.063 14.410 3.683 1.00 0.00 O ATOM 0 H GLY A 55 8.836 14.168 6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.042 14.295 4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.020 12.921 5.264 1.00 0.00 H new ATOM 824 N VAL A 56 10.001 14.065 2.592 1.00 0.00 N ATOM 825 CA VAL A 56 9.411 14.227 1.268 1.00 0.00 C ATOM 826 C VAL A 56 7.979 13.704 1.237 1.00 0.00 C ATOM 827 O VAL A 56 7.109 14.289 0.593 1.00 0.00 O ATOM 828 CB VAL A 56 10.237 13.496 0.193 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.512 13.518 -1.144 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.619 14.119 0.069 1.00 0.00 C ATOM 0 H VAL A 56 11.002 13.868 2.587 1.00 0.00 H new ATOM 0 HA VAL A 56 9.409 15.295 1.050 1.00 0.00 H new ATOM 0 HB VAL A 56 10.358 12.456 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.111 12.997 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.547 13.022 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.359 14.551 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.189 13.590 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.521 15.168 -0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.138 14.046 1.025 1.00 0.00 H new ATOM 840 N ALA A 57 7.743 12.599 1.936 1.00 0.00 N ATOM 841 CA ALA A 57 6.416 11.999 1.991 1.00 0.00 C ATOM 842 C ALA A 57 5.396 12.972 2.572 1.00 0.00 C ATOM 843 O ALA A 57 4.512 13.454 1.864 1.00 0.00 O ATOM 844 CB ALA A 57 6.451 10.716 2.809 1.00 0.00 C ATOM 0 H ALA A 57 8.454 12.101 2.472 1.00 0.00 H new ATOM 0 HA ALA A 57 6.110 11.760 0.973 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.453 10.278 2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.142 10.010 2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.783 10.940 3.823 1.00 0.00 H new ATOM 850 N GLU A 58 5.526 13.256 3.864 1.00 0.00 N ATOM 851 CA GLU A 58 4.613 14.172 4.539 1.00 0.00 C ATOM 852 C GLU A 58 4.611 15.538 3.859 1.00 0.00 C ATOM 853 O GLU A 58 3.566 16.174 3.723 1.00 0.00 O ATOM 854 CB GLU A 58 5.003 14.323 6.011 1.00 0.00 C ATOM 855 CG GLU A 58 3.865 14.805 6.895 1.00 0.00 C ATOM 856 CD GLU A 58 2.528 14.208 6.503 1.00 0.00 C ATOM 857 OE1 GLU A 58 2.219 13.090 6.964 1.00 0.00 O ATOM 858 OE2 GLU A 58 1.790 14.860 5.735 1.00 0.00 O ATOM 0 H GLU A 58 6.253 12.866 4.464 1.00 0.00 H new ATOM 0 HA GLU A 58 3.608 13.754 4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.360 13.363 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.834 15.024 6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.082 14.550 7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.803 15.892 6.841 1.00 0.00 H new ATOM 865 N ARG A 59 5.789 15.983 3.435 1.00 0.00 N ATOM 866 CA ARG A 59 5.925 17.274 2.771 1.00 0.00 C ATOM 867 C ARG A 59 4.893 17.423 1.657 1.00 0.00 C ATOM 868 O ARG A 59 4.092 18.358 1.660 1.00 0.00 O ATOM 869 CB ARG A 59 7.335 17.432 2.199 1.00 0.00 C ATOM 870 CG ARG A 59 8.413 17.557 3.264 1.00 0.00 C ATOM 871 CD ARG A 59 9.788 17.753 2.644 1.00 0.00 C ATOM 872 NE ARG A 59 9.954 19.095 2.093 1.00 0.00 N ATOM 873 CZ ARG A 59 9.596 19.432 0.859 1.00 0.00 C ATOM 874 NH1 ARG A 59 9.055 18.530 0.052 1.00 0.00 N ATOM 875 NH2 ARG A 59 9.779 20.675 0.430 1.00 0.00 N ATOM 0 H ARG A 59 6.663 15.468 3.539 1.00 0.00 H new ATOM 0 HA ARG A 59 5.751 18.055 3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.559 16.574 1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.362 18.315 1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.184 18.398 3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.417 16.662 3.886 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.554 17.573 3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.938 17.016 1.855 1.00 0.00 H new ATOM 0 HE ARG A 59 10.367 19.813 2.688 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.913 17.574 0.378 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.781 18.792 -0.895 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.195 21.372 1.048 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.504 20.933 -0.518 1.00 0.00 H new ATOM 889 N SER A 60 4.919 16.495 0.705 1.00 0.00 N ATOM 890 CA SER A 60 3.989 16.526 -0.418 1.00 0.00 C ATOM 891 C SER A 60 2.544 16.531 0.073 1.00 0.00 C ATOM 892 O SER A 60 1.710 17.285 -0.426 1.00 0.00 O ATOM 893 CB SER A 60 4.224 15.324 -1.334 1.00 0.00 C ATOM 894 OG SER A 60 3.477 14.200 -0.902 1.00 0.00 O ATOM 0 H SER A 60 5.574 15.713 0.689 1.00 0.00 H new ATOM 0 HA SER A 60 4.166 17.443 -0.980 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.943 15.581 -2.355 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.285 15.076 -1.348 1.00 0.00 H new ATOM 0 HG SER A 60 3.845 13.868 -0.057 1.00 0.00 H new ATOM 900 N GLY A 61 2.257 15.684 1.057 1.00 0.00 N ATOM 901 CA GLY A 61 0.913 15.606 1.600 1.00 0.00 C ATOM 902 C GLY A 61 0.043 14.615 0.852 1.00 0.00 C ATOM 903 O GLY A 61 -1.128 14.884 0.586 1.00 0.00 O ATOM 0 H GLY A 61 2.931 15.051 1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.965 15.319 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.451 16.592 1.561 1.00 0.00 H new ATOM 907 N GLY A 62 0.616 13.465 0.512 1.00 0.00 N ATOM 908 CA GLY A 62 -0.130 12.449 -0.208 1.00 0.00 C ATOM 909 C GLY A 62 0.025 11.072 0.407 1.00 0.00 C ATOM 910 O GLY A 62 -0.903 10.262 0.377 1.00 0.00 O ATOM 0 H GLY A 62 1.583 13.218 0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.186 12.720 -0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.207 12.421 -1.244 1.00 0.00 H new ATOM 914 N LEU A 63 1.200 10.803 0.964 1.00 0.00 N ATOM 915 CA LEU A 63 1.475 9.513 1.587 1.00 0.00 C ATOM 916 C LEU A 63 1.086 9.527 3.062 1.00 0.00 C ATOM 917 O LEU A 63 1.035 10.585 3.692 1.00 0.00 O ATOM 918 CB LEU A 63 2.956 9.159 1.442 1.00 0.00 C ATOM 919 CG LEU A 63 3.373 8.555 0.100 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.349 9.614 -0.991 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.754 7.926 0.205 1.00 0.00 C ATOM 0 H LEU A 63 1.978 11.461 0.997 1.00 0.00 H new ATOM 0 HA LEU A 63 0.876 8.757 1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.543 10.062 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.220 8.456 2.232 1.00 0.00 H new ATOM 0 HG LEU A 63 2.659 7.774 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.648 9.167 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.341 10.019 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.040 10.417 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.035 7.501 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.480 8.687 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.739 7.138 0.958 1.00 0.00 H new ATOM 933 N LEU A 64 0.814 8.347 3.608 1.00 0.00 N ATOM 934 CA LEU A 64 0.432 8.223 5.011 1.00 0.00 C ATOM 935 C LEU A 64 0.788 6.842 5.552 1.00 0.00 C ATOM 936 O LEU A 64 0.818 5.851 4.822 1.00 0.00 O ATOM 937 CB LEU A 64 -1.067 8.477 5.176 1.00 0.00 C ATOM 938 CG LEU A 64 -1.523 9.928 5.018 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.042 10.009 4.984 1.00 0.00 C ATOM 940 CD2 LEU A 64 -0.967 10.787 6.143 1.00 0.00 C ATOM 0 H LEU A 64 0.851 7.463 3.101 1.00 0.00 H new ATOM 0 HA LEU A 64 0.986 8.970 5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.601 7.868 4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.368 8.128 6.164 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.138 10.309 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.348 11.049 4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.419 9.426 4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.449 9.610 5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.302 11.816 6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.322 10.407 7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.122 10.754 6.121 1.00 0.00 H new ATOM 952 N PRO A 65 1.063 6.773 6.863 1.00 0.00 N ATOM 953 CA PRO A 65 1.419 5.518 7.532 1.00 0.00 C ATOM 954 C PRO A 65 0.239 4.557 7.629 1.00 0.00 C ATOM 955 O PRO A 65 -0.757 4.847 8.290 1.00 0.00 O ATOM 956 CB PRO A 65 1.856 5.971 8.927 1.00 0.00 C ATOM 957 CG PRO A 65 1.146 7.263 9.145 1.00 0.00 C ATOM 958 CD PRO A 65 1.047 7.914 7.793 1.00 0.00 C ATOM 0 HA PRO A 65 2.187 4.970 6.987 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.584 5.237 9.685 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.937 6.099 8.981 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.157 7.098 9.572 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.693 7.896 9.844 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.133 8.500 7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.881 8.592 7.611 1.00 0.00 H new ATOM 966 N GLY A 66 0.358 3.411 6.964 1.00 0.00 N ATOM 967 CA GLY A 66 -0.707 2.426 6.989 1.00 0.00 C ATOM 968 C GLY A 66 -1.215 2.086 5.602 1.00 0.00 C ATOM 969 O GLY A 66 -1.889 1.074 5.411 1.00 0.00 O ATOM 0 H GLY A 66 1.172 3.148 6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.347 1.518 7.473 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.533 2.803 7.593 1.00 0.00 H new ATOM 973 N ASP A 67 -0.894 2.935 4.632 1.00 0.00 N ATOM 974 CA ASP A 67 -1.323 2.720 3.255 1.00 0.00 C ATOM 975 C ASP A 67 -0.396 1.740 2.543 1.00 0.00 C ATOM 976 O ASP A 67 0.819 1.766 2.739 1.00 0.00 O ATOM 977 CB ASP A 67 -1.361 4.048 2.497 1.00 0.00 C ATOM 978 CG ASP A 67 -2.237 5.080 3.180 1.00 0.00 C ATOM 979 OD1 ASP A 67 -2.018 5.343 4.381 1.00 0.00 O ATOM 980 OD2 ASP A 67 -3.140 5.625 2.513 1.00 0.00 O ATOM 0 H ASP A 67 -0.338 3.778 4.774 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.326 2.293 3.276 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.348 4.439 2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.729 3.875 1.486 1.00 0.00 H new ATOM 985 N ARG A 68 -0.978 0.875 1.718 1.00 0.00 N ATOM 986 CA ARG A 68 -0.204 -0.115 0.980 1.00 0.00 C ATOM 987 C ARG A 68 0.394 0.495 -0.285 1.00 0.00 C ATOM 988 O ARG A 68 -0.318 1.089 -1.097 1.00 0.00 O ATOM 989 CB ARG A 68 -1.083 -1.312 0.615 1.00 0.00 C ATOM 990 CG ARG A 68 -0.393 -2.323 -0.287 1.00 0.00 C ATOM 991 CD ARG A 68 -0.629 -2.011 -1.756 1.00 0.00 C ATOM 992 NE ARG A 68 0.349 -2.667 -2.619 1.00 0.00 N ATOM 993 CZ ARG A 68 0.126 -2.956 -3.896 1.00 0.00 C ATOM 994 NH1 ARG A 68 -1.036 -2.648 -4.456 1.00 0.00 N ATOM 995 NH2 ARG A 68 1.067 -3.554 -4.617 1.00 0.00 N ATOM 0 H ARG A 68 -1.983 0.840 1.544 1.00 0.00 H new ATOM 0 HA ARG A 68 0.611 -0.453 1.620 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.400 -1.812 1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.985 -0.952 0.120 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.677 -2.324 -0.082 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.762 -3.324 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.633 -2.330 -2.038 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.582 -0.933 -1.910 1.00 0.00 H new ATOM 0 HE ARG A 68 1.253 -2.917 -2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.761 -2.188 -3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.204 -2.871 -5.437 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.962 -3.792 -4.190 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.895 -3.775 -5.598 1.00 0.00 H new ATOM 1009 N LEU A 69 1.704 0.345 -0.446 1.00 0.00 N ATOM 1010 CA LEU A 69 2.398 0.881 -1.612 1.00 0.00 C ATOM 1011 C LEU A 69 2.239 -0.045 -2.814 1.00 0.00 C ATOM 1012 O LEU A 69 2.356 -1.265 -2.691 1.00 0.00 O ATOM 1013 CB LEU A 69 3.882 1.080 -1.300 1.00 0.00 C ATOM 1014 CG LEU A 69 4.779 1.417 -2.491 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.374 2.748 -3.105 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.240 1.445 -2.067 1.00 0.00 C ATOM 0 H LEU A 69 2.307 -0.143 0.216 1.00 0.00 H new ATOM 0 HA LEU A 69 1.952 1.845 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.974 1.879 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.259 0.171 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 69 4.655 0.640 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.024 2.971 -3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.340 2.692 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.467 3.537 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.864 1.686 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.380 2.200 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.524 0.468 -1.676 1.00 0.00 H new ATOM 1028 N VAL A 70 1.974 0.542 -3.976 1.00 0.00 N ATOM 1029 CA VAL A 70 1.803 -0.229 -5.202 1.00 0.00 C ATOM 1030 C VAL A 70 3.116 -0.345 -5.967 1.00 0.00 C ATOM 1031 O VAL A 70 3.584 -1.446 -6.255 1.00 0.00 O ATOM 1032 CB VAL A 70 0.740 0.404 -6.120 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.604 -0.394 -7.408 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.596 0.502 -5.399 1.00 0.00 C ATOM 0 H VAL A 70 1.873 1.550 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 70 1.470 -1.224 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 70 1.062 1.413 -6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.151 0.068 -8.044 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.560 -0.407 -7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.305 -1.416 -7.173 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.335 0.951 -6.062 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.927 -0.495 -5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.484 1.120 -4.508 1.00 0.00 H new ATOM 1044 N SER A 71 3.707 0.801 -6.293 1.00 0.00 N ATOM 1045 CA SER A 71 4.966 0.829 -7.028 1.00 0.00 C ATOM 1046 C SER A 71 5.682 2.161 -6.828 1.00 0.00 C ATOM 1047 O SER A 71 5.111 3.112 -6.294 1.00 0.00 O ATOM 1048 CB SER A 71 4.717 0.589 -8.518 1.00 0.00 C ATOM 1049 OG SER A 71 3.449 1.087 -8.909 1.00 0.00 O ATOM 0 H SER A 71 3.334 1.721 -6.060 1.00 0.00 H new ATOM 0 HA SER A 71 5.602 0.033 -6.641 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.498 1.074 -9.103 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.774 -0.478 -8.732 1.00 0.00 H new ATOM 0 HG SER A 71 3.314 0.923 -9.866 1.00 0.00 H new ATOM 1055 N VAL A 72 6.937 2.222 -7.262 1.00 0.00 N ATOM 1056 CA VAL A 72 7.732 3.438 -7.133 1.00 0.00 C ATOM 1057 C VAL A 72 8.517 3.719 -8.409 1.00 0.00 C ATOM 1058 O VAL A 72 9.477 3.018 -8.727 1.00 0.00 O ATOM 1059 CB VAL A 72 8.714 3.343 -5.950 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.597 4.580 -5.888 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.958 3.152 -4.644 1.00 0.00 C ATOM 0 H VAL A 72 7.425 1.444 -7.706 1.00 0.00 H new ATOM 0 HA VAL A 72 7.034 4.255 -6.952 1.00 0.00 H new ATOM 0 HB VAL A 72 9.356 2.475 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.284 4.495 -5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.166 4.667 -6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.974 5.465 -5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.667 3.087 -3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.291 3.999 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.373 2.233 -4.693 1.00 0.00 H new ATOM 1071 N ASN A 73 8.102 4.751 -9.137 1.00 0.00 N ATOM 1072 CA ASN A 73 8.767 5.126 -10.380 1.00 0.00 C ATOM 1073 C ASN A 73 8.661 4.008 -11.412 1.00 0.00 C ATOM 1074 O ASN A 73 9.625 3.707 -12.116 1.00 0.00 O ATOM 1075 CB ASN A 73 10.237 5.456 -10.117 1.00 0.00 C ATOM 1076 CG ASN A 73 10.442 6.904 -9.715 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.494 7.599 -9.351 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.686 7.365 -9.780 1.00 0.00 N ATOM 0 H ASN A 73 7.309 5.342 -8.888 1.00 0.00 H new ATOM 0 HA ASN A 73 8.269 6.011 -10.777 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.617 4.806 -9.329 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.820 5.245 -11.013 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.886 8.331 -9.522 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.441 6.753 -10.088 1.00 0.00 H new ATOM 1085 N GLU A 74 7.484 3.396 -11.495 1.00 0.00 N ATOM 1086 CA GLU A 74 7.253 2.311 -12.442 1.00 0.00 C ATOM 1087 C GLU A 74 7.963 1.037 -11.992 1.00 0.00 C ATOM 1088 O GLU A 74 8.676 0.402 -12.770 1.00 0.00 O ATOM 1089 CB GLU A 74 7.735 2.710 -13.838 1.00 0.00 C ATOM 1090 CG GLU A 74 7.090 1.910 -14.957 1.00 0.00 C ATOM 1091 CD GLU A 74 7.587 2.321 -16.329 1.00 0.00 C ATOM 1092 OE1 GLU A 74 7.485 3.520 -16.662 1.00 0.00 O ATOM 1093 OE2 GLU A 74 8.078 1.443 -17.070 1.00 0.00 O ATOM 0 H GLU A 74 6.676 3.633 -10.919 1.00 0.00 H new ATOM 0 HA GLU A 74 6.181 2.117 -12.478 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.530 3.769 -13.995 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.816 2.584 -13.889 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.292 0.850 -14.804 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.008 2.038 -14.913 1.00 0.00 H new ATOM 1100 N TYR A 75 7.762 0.669 -10.731 1.00 0.00 N ATOM 1101 CA TYR A 75 8.384 -0.527 -10.176 1.00 0.00 C ATOM 1102 C TYR A 75 7.365 -1.367 -9.411 1.00 0.00 C ATOM 1103 O TYR A 75 6.958 -1.012 -8.304 1.00 0.00 O ATOM 1104 CB TYR A 75 9.542 -0.143 -9.252 1.00 0.00 C ATOM 1105 CG TYR A 75 10.871 -0.028 -9.963 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.685 -1.140 -10.141 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.314 1.194 -10.455 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.900 -1.039 -10.790 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.527 1.304 -11.106 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.317 0.185 -11.271 1.00 0.00 C ATOM 1111 OH TYR A 75 14.527 0.291 -11.917 1.00 0.00 O ATOM 0 H TYR A 75 7.173 1.182 -10.075 1.00 0.00 H new ATOM 0 HA TYR A 75 8.770 -1.122 -11.004 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.313 0.808 -8.772 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.626 -0.887 -8.460 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.362 -2.100 -9.765 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.699 2.073 -10.326 1.00 0.00 H new ATOM 0 HE1 TYR A 75 13.520 -1.913 -10.920 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.855 2.261 -11.484 1.00 0.00 H new ATOM 0 HH TYR A 75 14.670 1.220 -12.194 1.00 0.00 H new ATOM 1121 N CYS A 76 6.958 -2.481 -10.009 1.00 0.00 N ATOM 1122 CA CYS A 76 5.987 -3.372 -9.386 1.00 0.00 C ATOM 1123 C CYS A 76 6.513 -3.907 -8.058 1.00 0.00 C ATOM 1124 O CYS A 76 7.406 -4.754 -8.028 1.00 0.00 O ATOM 1125 CB CYS A 76 5.656 -4.535 -10.323 1.00 0.00 C ATOM 1126 SG CYS A 76 4.532 -5.760 -9.611 1.00 0.00 S ATOM 0 H CYS A 76 7.286 -2.788 -10.925 1.00 0.00 H new ATOM 0 HA CYS A 76 5.079 -2.801 -9.193 1.00 0.00 H new ATOM 0 HB2 CYS A 76 5.212 -4.137 -11.235 1.00 0.00 H new ATOM 0 HB3 CYS A 76 6.583 -5.032 -10.610 1.00 0.00 H new ATOM 0 HG CYS A 76 4.311 -6.702 -10.479 1.00 0.00 H new ATOM 1132 N LEU A 77 5.955 -3.405 -6.962 1.00 0.00 N ATOM 1133 CA LEU A 77 6.369 -3.831 -5.629 1.00 0.00 C ATOM 1134 C LEU A 77 5.376 -4.830 -5.044 1.00 0.00 C ATOM 1135 O LEU A 77 5.263 -4.968 -3.826 1.00 0.00 O ATOM 1136 CB LEU A 77 6.497 -2.620 -4.703 1.00 0.00 C ATOM 1137 CG LEU A 77 7.509 -1.555 -5.126 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.677 -0.513 -4.031 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.847 -2.196 -5.464 1.00 0.00 C ATOM 0 H LEU A 77 5.215 -2.703 -6.970 1.00 0.00 H new ATOM 0 HA LEU A 77 7.340 -4.320 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.518 -2.148 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.768 -2.975 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 77 7.131 -1.056 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.401 0.237 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.718 -0.032 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.032 -0.996 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.555 -1.423 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.230 -2.721 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.715 -2.904 -6.282 1.00 0.00 H new ATOM 1151 N ASP A 78 4.661 -5.527 -5.920 1.00 0.00 N ATOM 1152 CA ASP A 78 3.680 -6.518 -5.491 1.00 0.00 C ATOM 1153 C ASP A 78 4.369 -7.773 -4.967 1.00 0.00 C ATOM 1154 O ASP A 78 5.355 -8.236 -5.539 1.00 0.00 O ATOM 1155 CB ASP A 78 2.747 -6.878 -6.648 1.00 0.00 C ATOM 1156 CG ASP A 78 1.362 -7.272 -6.174 1.00 0.00 C ATOM 1157 OD1 ASP A 78 0.912 -6.729 -5.144 1.00 0.00 O ATOM 1158 OD2 ASP A 78 0.729 -8.123 -6.833 1.00 0.00 O ATOM 0 H ASP A 78 4.742 -5.424 -6.932 1.00 0.00 H new ATOM 0 HA ASP A 78 3.092 -6.084 -4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.668 -6.027 -7.325 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.180 -7.700 -7.218 1.00 0.00 H new ATOM 1163 N ASN A 79 3.843 -8.319 -3.875 1.00 0.00 N ATOM 1164 CA ASN A 79 4.409 -9.521 -3.273 1.00 0.00 C ATOM 1165 C ASN A 79 5.934 -9.475 -3.296 1.00 0.00 C ATOM 1166 O ASN A 79 6.592 -10.459 -3.637 1.00 0.00 O ATOM 1167 CB ASN A 79 3.914 -10.767 -4.010 1.00 0.00 C ATOM 1168 CG ASN A 79 2.405 -10.906 -3.962 1.00 0.00 C ATOM 1169 OD1 ASN A 79 1.823 -11.110 -2.897 1.00 0.00 O ATOM 1170 ND2 ASN A 79 1.764 -10.796 -5.120 1.00 0.00 N ATOM 0 H ASN A 79 3.026 -7.948 -3.389 1.00 0.00 H new ATOM 0 HA ASN A 79 4.080 -9.566 -2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.239 -10.724 -5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.372 -11.652 -3.569 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.748 -10.881 -5.151 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.288 -10.627 -5.979 1.00 0.00 H new ATOM 1177 N THR A 80 6.491 -8.325 -2.930 1.00 0.00 N ATOM 1178 CA THR A 80 7.938 -8.149 -2.909 1.00 0.00 C ATOM 1179 C THR A 80 8.482 -8.236 -1.487 1.00 0.00 C ATOM 1180 O THR A 80 7.791 -7.895 -0.526 1.00 0.00 O ATOM 1181 CB THR A 80 8.349 -6.797 -3.522 1.00 0.00 C ATOM 1182 OG1 THR A 80 8.088 -6.798 -4.930 1.00 0.00 O ATOM 1183 CG2 THR A 80 9.824 -6.517 -3.275 1.00 0.00 C ATOM 0 H THR A 80 5.962 -7.501 -2.644 1.00 0.00 H new ATOM 0 HA THR A 80 8.363 -8.955 -3.508 1.00 0.00 H new ATOM 0 HB THR A 80 7.761 -6.013 -3.044 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.244 -7.264 -5.106 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.091 -5.557 -3.717 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.014 -6.488 -2.202 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.425 -7.305 -3.729 1.00 0.00 H new ATOM 1191 N SER A 81 9.723 -8.693 -1.360 1.00 0.00 N ATOM 1192 CA SER A 81 10.359 -8.827 -0.054 1.00 0.00 C ATOM 1193 C SER A 81 10.877 -7.480 0.439 1.00 0.00 C ATOM 1194 O SER A 81 11.499 -6.728 -0.313 1.00 0.00 O ATOM 1195 CB SER A 81 11.508 -9.834 -0.124 1.00 0.00 C ATOM 1196 OG SER A 81 11.031 -11.162 0.002 1.00 0.00 O ATOM 0 H SER A 81 10.309 -8.977 -2.145 1.00 0.00 H new ATOM 0 HA SER A 81 9.611 -9.189 0.652 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.036 -9.722 -1.071 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.227 -9.626 0.668 1.00 0.00 H new ATOM 0 HG SER A 81 11.785 -11.786 -0.048 1.00 0.00 H new ATOM 1202 N LEU A 82 10.616 -7.181 1.707 1.00 0.00 N ATOM 1203 CA LEU A 82 11.055 -5.924 2.302 1.00 0.00 C ATOM 1204 C LEU A 82 12.408 -5.498 1.739 1.00 0.00 C ATOM 1205 O LEU A 82 12.590 -4.349 1.338 1.00 0.00 O ATOM 1206 CB LEU A 82 11.144 -6.061 3.823 1.00 0.00 C ATOM 1207 CG LEU A 82 11.841 -4.917 4.561 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.094 -3.610 4.348 1.00 0.00 C ATOM 1209 CD2 LEU A 82 11.957 -5.232 6.045 1.00 0.00 C ATOM 0 H LEU A 82 10.103 -7.792 2.342 1.00 0.00 H new ATOM 0 HA LEU A 82 10.321 -5.157 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.133 -6.159 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.668 -6.988 4.054 1.00 0.00 H new ATOM 0 HG LEU A 82 12.846 -4.807 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.605 -2.808 4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.064 -3.377 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.077 -3.707 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.455 -4.407 6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.961 -5.370 6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.537 -6.145 6.179 1.00 0.00 H new ATOM 1221 N ALA A 83 13.352 -6.432 1.711 1.00 0.00 N ATOM 1222 CA ALA A 83 14.686 -6.155 1.194 1.00 0.00 C ATOM 1223 C ALA A 83 14.618 -5.572 -0.214 1.00 0.00 C ATOM 1224 O ALA A 83 15.259 -4.563 -0.509 1.00 0.00 O ATOM 1225 CB ALA A 83 15.529 -7.421 1.202 1.00 0.00 C ATOM 0 H ALA A 83 13.218 -7.388 2.041 1.00 0.00 H new ATOM 0 HA ALA A 83 15.154 -5.416 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.523 -7.199 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.614 -7.795 2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.055 -8.177 0.576 1.00 0.00 H new ATOM 1231 N GLU A 84 13.839 -6.214 -1.079 1.00 0.00 N ATOM 1232 CA GLU A 84 13.691 -5.759 -2.456 1.00 0.00 C ATOM 1233 C GLU A 84 13.051 -4.374 -2.505 1.00 0.00 C ATOM 1234 O GLU A 84 13.498 -3.498 -3.245 1.00 0.00 O ATOM 1235 CB GLU A 84 12.845 -6.752 -3.256 1.00 0.00 C ATOM 1236 CG GLU A 84 13.661 -7.846 -3.924 1.00 0.00 C ATOM 1237 CD GLU A 84 12.940 -8.478 -5.099 1.00 0.00 C ATOM 1238 OE1 GLU A 84 11.734 -8.773 -4.966 1.00 0.00 O ATOM 1239 OE2 GLU A 84 13.582 -8.676 -6.151 1.00 0.00 O ATOM 0 H GLU A 84 13.301 -7.050 -0.851 1.00 0.00 H new ATOM 0 HA GLU A 84 14.684 -5.698 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.113 -7.211 -2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.287 -6.209 -4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.609 -7.430 -4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.897 -8.617 -3.190 1.00 0.00 H new ATOM 1246 N ALA A 85 12.001 -4.185 -1.712 1.00 0.00 N ATOM 1247 CA ALA A 85 11.301 -2.908 -1.664 1.00 0.00 C ATOM 1248 C ALA A 85 12.243 -1.780 -1.257 1.00 0.00 C ATOM 1249 O ALA A 85 12.239 -0.707 -1.859 1.00 0.00 O ATOM 1250 CB ALA A 85 10.124 -2.988 -0.702 1.00 0.00 C ATOM 0 H ALA A 85 11.617 -4.900 -1.094 1.00 0.00 H new ATOM 0 HA ALA A 85 10.926 -2.689 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.610 -2.027 -0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.432 -3.761 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.486 -3.233 0.296 1.00 0.00 H new ATOM 1256 N VAL A 86 13.049 -2.030 -0.230 1.00 0.00 N ATOM 1257 CA VAL A 86 13.997 -1.036 0.258 1.00 0.00 C ATOM 1258 C VAL A 86 15.043 -0.708 -0.802 1.00 0.00 C ATOM 1259 O VAL A 86 15.348 0.458 -1.047 1.00 0.00 O ATOM 1260 CB VAL A 86 14.710 -1.518 1.535 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.828 -0.561 1.917 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.714 -1.670 2.675 1.00 0.00 C ATOM 0 H VAL A 86 13.064 -2.913 0.280 1.00 0.00 H new ATOM 0 HA VAL A 86 13.423 -0.139 0.489 1.00 0.00 H new ATOM 0 HB VAL A 86 15.153 -2.494 1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.320 -0.919 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.554 -0.508 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.412 0.430 2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.234 -2.011 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.240 -0.709 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.952 -2.399 2.398 1.00 0.00 H new ATOM 1272 N GLU A 87 15.590 -1.746 -1.427 1.00 0.00 N ATOM 1273 CA GLU A 87 16.603 -1.568 -2.461 1.00 0.00 C ATOM 1274 C GLU A 87 16.041 -0.786 -3.644 1.00 0.00 C ATOM 1275 O GLU A 87 16.751 -0.009 -4.282 1.00 0.00 O ATOM 1276 CB GLU A 87 17.125 -2.926 -2.934 1.00 0.00 C ATOM 1277 CG GLU A 87 18.055 -3.601 -1.940 1.00 0.00 C ATOM 1278 CD GLU A 87 19.500 -3.175 -2.113 1.00 0.00 C ATOM 1279 OE1 GLU A 87 20.112 -3.555 -3.133 1.00 0.00 O ATOM 1280 OE2 GLU A 87 20.019 -2.463 -1.228 1.00 0.00 O ATOM 0 H GLU A 87 15.349 -2.718 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 87 17.428 -1.000 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.278 -3.583 -3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.651 -2.794 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.730 -3.367 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.982 -4.682 -2.056 1.00 0.00 H new ATOM 1287 N ILE A 88 14.761 -0.998 -3.931 1.00 0.00 N ATOM 1288 CA ILE A 88 14.103 -0.314 -5.037 1.00 0.00 C ATOM 1289 C ILE A 88 13.985 1.182 -4.766 1.00 0.00 C ATOM 1290 O ILE A 88 14.249 2.006 -5.642 1.00 0.00 O ATOM 1291 CB ILE A 88 12.698 -0.889 -5.300 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.803 -2.280 -5.928 1.00 0.00 C ATOM 1293 CG2 ILE A 88 11.903 0.046 -6.199 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.631 -3.180 -5.601 1.00 0.00 C ATOM 0 H ILE A 88 14.159 -1.638 -3.413 1.00 0.00 H new ATOM 0 HA ILE A 88 14.723 -0.474 -5.919 1.00 0.00 H new ATOM 0 HB ILE A 88 12.174 -0.979 -4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.880 -2.176 -7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.722 -2.756 -5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.913 -0.374 -6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.804 1.018 -5.716 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.422 0.165 -7.150 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.772 -4.149 -6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.565 -3.314 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.710 -2.726 -5.967 1.00 0.00 H new ATOM 1306 N LEU A 89 13.587 1.526 -3.546 1.00 0.00 N ATOM 1307 CA LEU A 89 13.435 2.924 -3.156 1.00 0.00 C ATOM 1308 C LEU A 89 14.794 3.608 -3.042 1.00 0.00 C ATOM 1309 O LEU A 89 14.913 4.816 -3.247 1.00 0.00 O ATOM 1310 CB LEU A 89 12.688 3.025 -1.826 1.00 0.00 C ATOM 1311 CG LEU A 89 11.164 3.118 -1.918 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.529 2.824 -0.568 1.00 0.00 C ATOM 1313 CD2 LEU A 89 10.743 4.491 -2.420 1.00 0.00 C ATOM 0 H LEU A 89 13.364 0.856 -2.810 1.00 0.00 H new ATOM 0 HA LEU A 89 12.857 3.430 -3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 89 12.943 2.154 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.054 3.902 -1.292 1.00 0.00 H new ATOM 0 HG LEU A 89 10.816 2.370 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.445 2.895 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.803 1.819 -0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.884 3.548 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.656 4.539 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.103 5.256 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.168 4.663 -3.409 1.00 0.00 H new ATOM 1325 N LYS A 90 15.818 2.827 -2.716 1.00 0.00 N ATOM 1326 CA LYS A 90 17.170 3.355 -2.577 1.00 0.00 C ATOM 1327 C LYS A 90 17.867 3.429 -3.933 1.00 0.00 C ATOM 1328 O LYS A 90 18.727 4.281 -4.153 1.00 0.00 O ATOM 1329 CB LYS A 90 17.985 2.483 -1.620 1.00 0.00 C ATOM 1330 CG LYS A 90 17.575 2.629 -0.165 1.00 0.00 C ATOM 1331 CD LYS A 90 18.015 1.432 0.661 1.00 0.00 C ATOM 1332 CE LYS A 90 19.423 1.617 1.205 1.00 0.00 C ATOM 1333 NZ LYS A 90 20.131 0.317 1.366 1.00 0.00 N ATOM 0 H LYS A 90 15.737 1.825 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 90 17.099 4.363 -2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.881 1.439 -1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.040 2.738 -1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.013 3.538 0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.492 2.739 -0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.321 1.285 1.488 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.976 0.532 0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 90 19.991 2.259 0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 90 19.376 2.127 2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 21.087 0.486 1.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 19.603 -0.286 2.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 20.198 -0.158 0.443 1.00 0.00 H new ATOM 1347 N ALA A 91 17.488 2.532 -4.837 1.00 0.00 N ATOM 1348 CA ALA A 91 18.074 2.498 -6.171 1.00 0.00 C ATOM 1349 C ALA A 91 17.393 3.502 -7.095 1.00 0.00 C ATOM 1350 O ALA A 91 17.935 3.868 -8.138 1.00 0.00 O ATOM 1351 CB ALA A 91 17.981 1.095 -6.753 1.00 0.00 C ATOM 0 H ALA A 91 16.778 1.819 -4.670 1.00 0.00 H new ATOM 0 HA ALA A 91 19.125 2.775 -6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.422 1.084 -7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.519 0.398 -6.110 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.935 0.796 -6.817 1.00 0.00 H new ATOM 1357 N VAL A 92 16.201 3.945 -6.706 1.00 0.00 N ATOM 1358 CA VAL A 92 15.446 4.907 -7.499 1.00 0.00 C ATOM 1359 C VAL A 92 16.189 6.234 -7.607 1.00 0.00 C ATOM 1360 O VAL A 92 16.736 6.749 -6.631 1.00 0.00 O ATOM 1361 CB VAL A 92 14.051 5.160 -6.897 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.167 5.920 -5.584 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.174 5.914 -7.884 1.00 0.00 C ATOM 0 H VAL A 92 15.738 3.652 -5.846 1.00 0.00 H new ATOM 0 HA VAL A 92 15.331 4.476 -8.494 1.00 0.00 H new ATOM 0 HB VAL A 92 13.582 4.198 -6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.172 6.090 -5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.757 5.337 -4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.655 6.878 -5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.192 6.084 -7.442 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.636 6.872 -8.123 1.00 0.00 H new ATOM 0 HG23 VAL A 92 13.065 5.327 -8.796 1.00 0.00 H new ATOM 1373 N PRO A 93 16.211 6.803 -8.822 1.00 0.00 N ATOM 1374 CA PRO A 93 16.884 8.078 -9.086 1.00 0.00 C ATOM 1375 C PRO A 93 16.165 9.257 -8.439 1.00 0.00 C ATOM 1376 O PRO A 93 14.973 9.199 -8.137 1.00 0.00 O ATOM 1377 CB PRO A 93 16.836 8.195 -10.612 1.00 0.00 C ATOM 1378 CG PRO A 93 15.659 7.377 -11.017 1.00 0.00 C ATOM 1379 CD PRO A 93 15.581 6.245 -10.030 1.00 0.00 C ATOM 0 HA PRO A 93 17.893 8.099 -8.675 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.724 9.233 -10.926 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.753 7.821 -11.067 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.746 7.972 -11.001 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.776 7.001 -12.033 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.550 5.945 -9.843 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.110 5.362 -10.388 1.00 0.00 H new ATOM 1387 N PRO A 94 16.906 10.354 -8.221 1.00 0.00 N ATOM 1388 CA PRO A 94 16.359 11.569 -7.608 1.00 0.00 C ATOM 1389 C PRO A 94 15.381 12.292 -8.527 1.00 0.00 C ATOM 1390 O PRO A 94 15.281 11.980 -9.713 1.00 0.00 O ATOM 1391 CB PRO A 94 17.599 12.431 -7.362 1.00 0.00 C ATOM 1392 CG PRO A 94 18.592 11.964 -8.370 1.00 0.00 C ATOM 1393 CD PRO A 94 18.333 10.494 -8.556 1.00 0.00 C ATOM 0 HA PRO A 94 15.790 11.349 -6.705 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.376 13.490 -7.488 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.975 12.303 -6.347 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.476 12.503 -9.310 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.611 12.140 -8.025 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.539 10.176 -9.578 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.961 9.889 -7.901 1.00 0.00 H new ATOM 1401 N GLY A 95 14.660 13.262 -7.971 1.00 0.00 N ATOM 1402 CA GLY A 95 13.699 14.015 -8.756 1.00 0.00 C ATOM 1403 C GLY A 95 12.273 13.561 -8.517 1.00 0.00 C ATOM 1404 O GLY A 95 11.979 12.918 -7.509 1.00 0.00 O ATOM 0 H GLY A 95 14.725 13.539 -6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.786 15.074 -8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.938 13.911 -9.814 1.00 0.00 H new ATOM 1408 N LEU A 96 11.384 13.898 -9.445 1.00 0.00 N ATOM 1409 CA LEU A 96 9.979 13.522 -9.330 1.00 0.00 C ATOM 1410 C LEU A 96 9.833 12.020 -9.105 1.00 0.00 C ATOM 1411 O LEU A 96 10.431 11.215 -9.818 1.00 0.00 O ATOM 1412 CB LEU A 96 9.215 13.938 -10.588 1.00 0.00 C ATOM 1413 CG LEU A 96 7.692 13.996 -10.460 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.097 12.598 -10.527 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.292 14.687 -9.165 1.00 0.00 C ATOM 0 H LEU A 96 11.611 14.431 -10.285 1.00 0.00 H new ATOM 0 HA LEU A 96 9.559 14.041 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.571 14.921 -10.897 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.466 13.242 -11.388 1.00 0.00 H new ATOM 0 HG LEU A 96 7.298 14.576 -11.294 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.013 12.659 -10.434 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.354 12.138 -11.481 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.497 11.993 -9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.205 14.719 -9.091 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.697 14.134 -8.317 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.687 15.703 -9.158 1.00 0.00 H new ATOM 1427 N VAL A 97 9.032 11.651 -8.111 1.00 0.00 N ATOM 1428 CA VAL A 97 8.805 10.246 -7.794 1.00 0.00 C ATOM 1429 C VAL A 97 7.327 9.890 -7.906 1.00 0.00 C ATOM 1430 O VAL A 97 6.524 10.244 -7.042 1.00 0.00 O ATOM 1431 CB VAL A 97 9.298 9.903 -6.376 1.00 0.00 C ATOM 1432 CG1 VAL A 97 9.000 8.449 -6.043 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.786 10.195 -6.245 1.00 0.00 C ATOM 0 H VAL A 97 8.529 12.305 -7.511 1.00 0.00 H new ATOM 0 HA VAL A 97 9.373 9.662 -8.519 1.00 0.00 H new ATOM 0 HB VAL A 97 8.763 10.530 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.356 8.226 -5.037 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.925 8.277 -6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.506 7.801 -6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.118 9.947 -5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.340 9.595 -6.967 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.968 11.252 -6.437 1.00 0.00 H new ATOM 1443 N HIS A 98 6.973 9.186 -8.977 1.00 0.00 N ATOM 1444 CA HIS A 98 5.590 8.780 -9.202 1.00 0.00 C ATOM 1445 C HIS A 98 5.335 7.385 -8.637 1.00 0.00 C ATOM 1446 O HIS A 98 5.677 6.379 -9.261 1.00 0.00 O ATOM 1447 CB HIS A 98 5.266 8.805 -10.695 1.00 0.00 C ATOM 1448 CG HIS A 98 4.942 10.172 -11.215 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.592 10.743 -12.289 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.029 11.083 -10.802 1.00 0.00 C ATOM 1451 CE1 HIS A 98 5.095 11.946 -12.513 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.144 12.176 -11.625 1.00 0.00 N ATOM 0 H HIS A 98 7.624 8.885 -9.702 1.00 0.00 H new ATOM 0 HA HIS A 98 4.941 9.487 -8.685 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.116 8.406 -11.249 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.421 8.143 -10.886 1.00 0.00 H new ATOM 0 HD1 HIS A 98 6.340 10.305 -12.826 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.339 10.971 -9.979 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.412 12.626 -13.290 1.00 0.00 H new ATOM 1461 N LEU A 99 4.732 7.332 -7.455 1.00 0.00 N ATOM 1462 CA LEU A 99 4.431 6.061 -6.805 1.00 0.00 C ATOM 1463 C LEU A 99 2.954 5.975 -6.434 1.00 0.00 C ATOM 1464 O LEU A 99 2.365 6.946 -5.962 1.00 0.00 O ATOM 1465 CB LEU A 99 5.294 5.888 -5.554 1.00 0.00 C ATOM 1466 CG LEU A 99 5.229 7.023 -4.531 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.095 6.788 -3.546 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.555 7.158 -3.799 1.00 0.00 C ATOM 0 H LEU A 99 4.442 8.155 -6.927 1.00 0.00 H new ATOM 0 HA LEU A 99 4.657 5.259 -7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.000 4.963 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.331 5.766 -5.866 1.00 0.00 H new ATOM 0 HG LEU A 99 5.035 7.955 -5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.064 7.605 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.149 6.743 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.259 5.847 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.490 7.970 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.780 6.227 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.346 7.374 -4.517 1.00 0.00 H new ATOM 1480 N GLY A 100 2.362 4.804 -6.649 1.00 0.00 N ATOM 1481 CA GLY A 100 0.960 4.612 -6.330 1.00 0.00 C ATOM 1482 C GLY A 100 0.748 4.155 -4.900 1.00 0.00 C ATOM 1483 O GLY A 100 1.491 3.313 -4.395 1.00 0.00 O ATOM 0 H GLY A 100 2.829 3.985 -7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.422 5.546 -6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.533 3.875 -7.011 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.267 4.711 -4.247 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.573 4.355 -2.867 1.00 0.00 C ATOM 1489 C ILE A 101 -1.986 3.794 -2.745 1.00 0.00 C ATOM 1490 O ILE A 101 -2.877 4.156 -3.514 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.431 5.568 -1.928 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.924 6.247 -2.138 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.595 5.137 -0.479 1.00 0.00 C ATOM 1494 CD1 ILE A 101 2.092 5.436 -1.623 1.00 0.00 C ATOM 0 H ILE A 101 -0.891 5.409 -4.651 1.00 0.00 H new ATOM 0 HA ILE A 101 0.146 3.591 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.216 6.286 -2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.065 6.437 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.917 7.216 -1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.492 6.005 0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.581 4.694 -0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.171 4.403 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.020 5.978 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.974 5.268 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.125 4.477 -2.140 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.183 2.911 -1.772 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.489 2.301 -1.548 1.00 0.00 C ATOM 1508 C CYS A 102 -4.032 2.670 -0.171 1.00 0.00 C ATOM 1509 O CYS A 102 -3.526 2.207 0.851 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.393 0.780 -1.681 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.677 0.166 -3.358 1.00 0.00 S ATOM 0 H CYS A 102 -1.456 2.602 -1.127 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.176 2.682 -2.304 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.405 0.459 -1.350 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.119 0.321 -1.010 1.00 0.00 H new ATOM 0 HG CYS A 102 -4.954 0.040 -3.564 1.00 0.00 H new ATOM 1517 N SER A 103 -5.064 3.507 -0.154 1.00 0.00 N ATOM 1518 CA SER A 103 -5.673 3.943 1.098 1.00 0.00 C ATOM 1519 C SER A 103 -5.841 2.770 2.058 1.00 0.00 C ATOM 1520 O SER A 103 -6.464 1.763 1.724 1.00 0.00 O ATOM 1521 CB SER A 103 -7.031 4.595 0.829 1.00 0.00 C ATOM 1522 OG SER A 103 -7.647 5.007 2.037 1.00 0.00 O ATOM 0 H SER A 103 -5.496 3.897 -0.992 1.00 0.00 H new ATOM 0 HA SER A 103 -5.011 4.676 1.560 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.901 5.455 0.172 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.679 3.890 0.308 1.00 0.00 H new ATOM 0 HG SER A 103 -8.512 5.422 1.838 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.278 2.908 3.255 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.376 1.853 4.247 1.00 0.00 C ATOM 1530 C GLY A 104 -5.702 2.384 5.629 1.00 0.00 C ATOM 1531 O GLY A 104 -6.203 3.497 5.787 1.00 0.00 O ATOM 0 H GLY A 104 -4.756 3.731 3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.146 1.143 3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.434 1.305 4.285 1.00 0.00 H new