USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=16 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= -0.885 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -122:sc= -0.468 (180deg=-3.2!) USER MOD Single : A 25 CYS SG : rot -23:sc= 0.295 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.551 K(o=-0.55,f=-0.021) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 33:sc= 1.27 USER MOD Single : A 60 SER OG : rot -56:sc= -1.19! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -3.94! C(o=-3.9!,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 USER MOD Single : A 79 ASN : amide:sc= -0.655 K(o=-0.66,f=-7.6!) USER MOD Single : A 80 THR OG1 : rot -140:sc= -0.445 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 HD1:sc= -5.27! C(o=-5.3!,f=-6.3!) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N TRP A 12 -7.402 -2.137 2.208 1.00 0.00 N ATOM 130 CA TRP A 12 -7.138 -0.933 1.429 1.00 0.00 C ATOM 131 C TRP A 12 -8.200 -0.738 0.352 1.00 0.00 C ATOM 132 O TRP A 12 -8.979 -1.647 0.064 1.00 0.00 O ATOM 133 CB TRP A 12 -5.752 -1.008 0.788 1.00 0.00 C ATOM 134 CG TRP A 12 -4.668 -1.368 1.758 1.00 0.00 C ATOM 135 CD1 TRP A 12 -3.813 -0.509 2.388 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.321 -2.682 2.208 1.00 0.00 C ATOM 137 NE1 TRP A 12 -2.956 -1.210 3.202 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.248 -2.545 3.110 1.00 0.00 C ATOM 139 CE3 TRP A 12 -4.815 -3.962 1.938 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.661 -3.639 3.741 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -4.231 -5.046 2.565 1.00 0.00 C ATOM 142 CH2 TRP A 12 -3.164 -4.880 3.458 1.00 0.00 C ATOM 0 HA TRP A 12 -7.171 -0.079 2.105 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.770 -1.745 -0.015 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.518 -0.046 0.333 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.811 0.564 2.264 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.222 -0.802 3.781 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.638 -4.101 1.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.838 -3.513 4.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.604 -6.039 2.363 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.730 -5.748 3.932 1.00 0.00 H new ATOM 153 N SER A 13 -8.225 0.451 -0.241 1.00 0.00 N ATOM 154 CA SER A 13 -9.194 0.765 -1.285 1.00 0.00 C ATOM 155 C SER A 13 -8.677 0.332 -2.653 1.00 0.00 C ATOM 156 O SER A 13 -7.488 0.432 -2.957 1.00 0.00 O ATOM 157 CB SER A 13 -9.498 2.264 -1.293 1.00 0.00 C ATOM 158 OG SER A 13 -10.803 2.517 -1.785 1.00 0.00 O ATOM 0 H SER A 13 -7.585 1.213 -0.016 1.00 0.00 H new ATOM 0 HA SER A 13 -10.112 0.217 -1.072 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.403 2.663 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.766 2.784 -1.911 1.00 0.00 H new ATOM 0 HG SER A 13 -10.974 3.482 -1.778 1.00 0.00 H new ATOM 164 N PRO A 14 -9.592 -0.161 -3.501 1.00 0.00 N ATOM 165 CA PRO A 14 -9.254 -0.619 -4.852 1.00 0.00 C ATOM 166 C PRO A 14 -8.876 0.533 -5.777 1.00 0.00 C ATOM 167 O PRO A 14 -8.578 0.324 -6.952 1.00 0.00 O ATOM 168 CB PRO A 14 -10.544 -1.289 -5.332 1.00 0.00 C ATOM 169 CG PRO A 14 -11.627 -0.633 -4.546 1.00 0.00 C ATOM 170 CD PRO A 14 -11.027 -0.309 -3.206 1.00 0.00 C ATOM 0 HA PRO A 14 -8.388 -1.280 -4.853 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.690 -1.146 -6.403 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.521 -2.364 -5.154 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.979 0.270 -5.045 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.487 -1.294 -4.439 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.448 0.606 -2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.208 -1.103 -2.482 1.00 0.00 H new ATOM 178 N GLU A 15 -8.889 1.748 -5.237 1.00 0.00 N ATOM 179 CA GLU A 15 -8.547 2.932 -6.016 1.00 0.00 C ATOM 180 C GLU A 15 -7.177 3.471 -5.613 1.00 0.00 C ATOM 181 O GLU A 15 -7.027 4.096 -4.563 1.00 0.00 O ATOM 182 CB GLU A 15 -9.609 4.017 -5.828 1.00 0.00 C ATOM 183 CG GLU A 15 -9.599 4.647 -4.445 1.00 0.00 C ATOM 184 CD GLU A 15 -10.910 5.328 -4.105 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.973 4.711 -4.325 1.00 0.00 O ATOM 186 OE2 GLU A 15 -10.873 6.478 -3.619 1.00 0.00 O ATOM 0 H GLU A 15 -9.132 1.938 -4.265 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.511 2.646 -7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.455 4.797 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.593 3.587 -6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.390 3.878 -3.701 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.790 5.375 -4.387 1.00 0.00 H new ATOM 193 N VAL A 16 -6.179 3.224 -6.456 1.00 0.00 N ATOM 194 CA VAL A 16 -4.822 3.684 -6.190 1.00 0.00 C ATOM 195 C VAL A 16 -4.649 5.147 -6.584 1.00 0.00 C ATOM 196 O VAL A 16 -5.251 5.616 -7.551 1.00 0.00 O ATOM 197 CB VAL A 16 -3.782 2.834 -6.945 1.00 0.00 C ATOM 198 CG1 VAL A 16 -4.081 2.826 -8.436 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.377 3.350 -6.677 1.00 0.00 C ATOM 0 H VAL A 16 -6.285 2.708 -7.329 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.658 3.578 -5.118 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.843 1.808 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.336 2.221 -8.953 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.072 2.405 -8.606 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.049 3.846 -8.819 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.655 2.738 -7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.299 4.384 -7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.168 3.298 -5.608 1.00 0.00 H new ATOM 209 N LYS A 17 -3.823 5.864 -5.830 1.00 0.00 N ATOM 210 CA LYS A 17 -3.569 7.274 -6.101 1.00 0.00 C ATOM 211 C LYS A 17 -2.080 7.527 -6.314 1.00 0.00 C ATOM 212 O LYS A 17 -1.247 7.089 -5.520 1.00 0.00 O ATOM 213 CB LYS A 17 -4.084 8.137 -4.947 1.00 0.00 C ATOM 214 CG LYS A 17 -3.596 7.683 -3.583 1.00 0.00 C ATOM 215 CD LYS A 17 -3.508 8.844 -2.607 1.00 0.00 C ATOM 216 CE LYS A 17 -3.497 8.360 -1.165 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.109 9.355 -0.241 1.00 0.00 N ATOM 0 H LYS A 17 -3.318 5.492 -5.026 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.100 7.545 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.773 9.169 -5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.174 8.127 -4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.272 6.925 -3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.616 7.216 -3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.604 9.420 -2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.353 9.515 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.039 7.417 -1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.471 8.161 -0.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.082 8.988 0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.576 10.247 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.096 9.526 -0.519 1.00 0.00 H new ATOM 231 N ILE A 18 -1.753 8.237 -7.388 1.00 0.00 N ATOM 232 CA ILE A 18 -0.364 8.550 -7.703 1.00 0.00 C ATOM 233 C ILE A 18 0.085 9.825 -6.996 1.00 0.00 C ATOM 234 O ILE A 18 -0.417 10.913 -7.276 1.00 0.00 O ATOM 235 CB ILE A 18 -0.154 8.716 -9.219 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.563 7.439 -9.956 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.296 9.065 -9.518 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.290 6.240 -9.605 1.00 0.00 C ATOM 0 H ILE A 18 -2.430 8.607 -8.055 1.00 0.00 H new ATOM 0 HA ILE A 18 0.237 7.711 -7.352 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.784 9.533 -9.570 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.604 7.214 -9.726 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.505 7.614 -11.030 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.428 9.179 -10.594 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.556 9.999 -9.019 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.944 8.268 -9.155 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.056 5.371 -10.164 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.329 6.445 -9.861 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.213 6.039 -8.537 1.00 0.00 H new ATOM 250 N VAL A 19 1.037 9.682 -6.079 1.00 0.00 N ATOM 251 CA VAL A 19 1.557 10.822 -5.334 1.00 0.00 C ATOM 252 C VAL A 19 2.898 11.281 -5.897 1.00 0.00 C ATOM 253 O VAL A 19 3.824 10.485 -6.048 1.00 0.00 O ATOM 254 CB VAL A 19 1.729 10.485 -3.841 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.424 11.625 -3.112 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.381 10.179 -3.206 1.00 0.00 C ATOM 0 H VAL A 19 1.463 8.788 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 19 0.828 11.626 -5.436 1.00 0.00 H new ATOM 0 HB VAL A 19 2.355 9.597 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.536 11.368 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.407 11.792 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.827 12.532 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.521 9.943 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.271 11.047 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.074 9.327 -3.711 1.00 0.00 H new ATOM 266 N GLU A 20 2.993 12.570 -6.206 1.00 0.00 N ATOM 267 CA GLU A 20 4.221 13.135 -6.753 1.00 0.00 C ATOM 268 C GLU A 20 5.193 13.507 -5.637 1.00 0.00 C ATOM 269 O GLU A 20 4.988 14.488 -4.921 1.00 0.00 O ATOM 270 CB GLU A 20 3.907 14.368 -7.603 1.00 0.00 C ATOM 271 CG GLU A 20 3.650 14.049 -9.066 1.00 0.00 C ATOM 272 CD GLU A 20 2.834 15.121 -9.762 1.00 0.00 C ATOM 273 OE1 GLU A 20 1.667 15.328 -9.368 1.00 0.00 O ATOM 274 OE2 GLU A 20 3.362 15.752 -10.701 1.00 0.00 O ATOM 0 H GLU A 20 2.235 13.242 -6.087 1.00 0.00 H new ATOM 0 HA GLU A 20 4.690 12.379 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.032 14.870 -7.190 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.739 15.069 -7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.603 13.931 -9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.128 13.095 -9.140 1.00 0.00 H new ATOM 281 N LEU A 21 6.252 12.717 -5.495 1.00 0.00 N ATOM 282 CA LEU A 21 7.257 12.962 -4.466 1.00 0.00 C ATOM 283 C LEU A 21 8.585 13.379 -5.091 1.00 0.00 C ATOM 284 O LEU A 21 9.123 12.684 -5.952 1.00 0.00 O ATOM 285 CB LEU A 21 7.454 11.710 -3.610 1.00 0.00 C ATOM 286 CG LEU A 21 6.398 11.462 -2.532 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.913 10.473 -1.498 1.00 0.00 C ATOM 288 CD2 LEU A 21 5.995 12.770 -1.868 1.00 0.00 C ATOM 0 H LEU A 21 6.437 11.902 -6.079 1.00 0.00 H new ATOM 0 HA LEU A 21 6.903 13.776 -3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.481 10.843 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.429 11.774 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 21 5.516 11.033 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.148 10.309 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.149 9.527 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.811 10.873 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.243 12.574 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.870 13.229 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.583 13.446 -2.617 1.00 0.00 H new ATOM 300 N VAL A 22 9.109 14.518 -4.648 1.00 0.00 N ATOM 301 CA VAL A 22 10.376 15.026 -5.161 1.00 0.00 C ATOM 302 C VAL A 22 11.551 14.496 -4.346 1.00 0.00 C ATOM 303 O VAL A 22 11.881 15.034 -3.289 1.00 0.00 O ATOM 304 CB VAL A 22 10.410 16.565 -5.148 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.769 17.074 -5.605 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.299 17.129 -6.021 1.00 0.00 C ATOM 0 H VAL A 22 8.676 15.106 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 22 10.464 14.677 -6.190 1.00 0.00 H new ATOM 0 HB VAL A 22 10.247 16.906 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.773 18.164 -5.589 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.542 16.698 -4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.966 16.725 -6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.338 18.218 -6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.429 16.781 -7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.333 16.793 -5.643 1.00 0.00 H new ATOM 316 N LYS A 23 12.180 13.437 -4.845 1.00 0.00 N ATOM 317 CA LYS A 23 13.320 12.833 -4.165 1.00 0.00 C ATOM 318 C LYS A 23 14.535 13.753 -4.220 1.00 0.00 C ATOM 319 O LYS A 23 14.823 14.356 -5.254 1.00 0.00 O ATOM 320 CB LYS A 23 13.661 11.482 -4.798 1.00 0.00 C ATOM 321 CG LYS A 23 14.935 10.860 -4.255 1.00 0.00 C ATOM 322 CD LYS A 23 15.310 9.601 -5.018 1.00 0.00 C ATOM 323 CE LYS A 23 16.816 9.388 -5.037 1.00 0.00 C ATOM 324 NZ LYS A 23 17.277 8.579 -3.875 1.00 0.00 N ATOM 0 H LYS A 23 11.919 12.979 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 23 13.049 12.679 -3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.832 10.794 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.760 11.610 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.749 11.582 -4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.803 10.621 -3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.825 8.739 -4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.938 9.670 -6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.100 8.888 -5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.320 10.355 -5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.978 9.121 -3.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.465 8.353 -3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.710 7.697 -4.216 1.00 0.00 H new ATOM 338 N ASP A 24 15.245 13.855 -3.102 1.00 0.00 N ATOM 339 CA ASP A 24 16.431 14.700 -3.023 1.00 0.00 C ATOM 340 C ASP A 24 17.700 13.854 -2.996 1.00 0.00 C ATOM 341 O ASP A 24 17.642 12.636 -2.817 1.00 0.00 O ATOM 342 CB ASP A 24 16.369 15.589 -1.780 1.00 0.00 C ATOM 343 CG ASP A 24 17.636 16.399 -1.584 1.00 0.00 C ATOM 344 OD1 ASP A 24 18.070 17.064 -2.548 1.00 0.00 O ATOM 345 OD2 ASP A 24 18.192 16.369 -0.467 1.00 0.00 O ATOM 0 H ASP A 24 15.020 13.363 -2.237 1.00 0.00 H new ATOM 0 HA ASP A 24 16.456 15.332 -3.911 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.518 16.265 -1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 24 16.199 14.968 -0.901 1.00 0.00 H new ATOM 350 N CYS A 25 18.844 14.505 -3.175 1.00 0.00 N ATOM 351 CA CYS A 25 20.127 13.812 -3.173 1.00 0.00 C ATOM 352 C CYS A 25 20.178 12.765 -2.065 1.00 0.00 C ATOM 353 O CYS A 25 20.810 11.719 -2.212 1.00 0.00 O ATOM 354 CB CYS A 25 21.270 14.813 -2.998 1.00 0.00 C ATOM 355 SG CYS A 25 21.191 15.763 -1.461 1.00 0.00 S ATOM 0 H CYS A 25 18.909 15.512 -3.323 1.00 0.00 H new ATOM 0 HA CYS A 25 20.240 13.306 -4.132 1.00 0.00 H new ATOM 0 HB2 CYS A 25 22.218 14.276 -3.032 1.00 0.00 H new ATOM 0 HB3 CYS A 25 21.265 15.504 -3.841 1.00 0.00 H new ATOM 0 HG CYS A 25 19.967 15.781 -1.025 1.00 0.00 H new ATOM 361 N LYS A 26 19.508 13.054 -0.954 1.00 0.00 N ATOM 362 CA LYS A 26 19.476 12.139 0.180 1.00 0.00 C ATOM 363 C LYS A 26 18.507 10.989 -0.075 1.00 0.00 C ATOM 364 O LYS A 26 18.760 9.851 0.319 1.00 0.00 O ATOM 365 CB LYS A 26 19.073 12.886 1.454 1.00 0.00 C ATOM 366 CG LYS A 26 17.709 13.549 1.363 1.00 0.00 C ATOM 367 CD LYS A 26 17.231 14.028 2.724 1.00 0.00 C ATOM 368 CE LYS A 26 16.602 12.897 3.523 1.00 0.00 C ATOM 369 NZ LYS A 26 16.375 13.281 4.944 1.00 0.00 N ATOM 0 H LYS A 26 18.980 13.915 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 26 20.476 11.726 0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.073 12.187 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.823 13.646 1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.759 14.394 0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.987 12.844 0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.071 14.444 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.505 14.831 2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.653 12.614 3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.249 12.020 3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.945 12.483 5.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.284 13.526 5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.738 14.102 4.984 1.00 0.00 H new ATOM 383 N GLY A 27 17.397 11.293 -0.741 1.00 0.00 N ATOM 384 CA GLY A 27 16.408 10.274 -1.039 1.00 0.00 C ATOM 385 C GLY A 27 15.021 10.653 -0.558 1.00 0.00 C ATOM 386 O GLY A 27 14.664 11.832 -0.536 1.00 0.00 O ATOM 0 H GLY A 27 17.165 12.227 -1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.381 10.102 -2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.707 9.335 -0.573 1.00 0.00 H new ATOM 390 N LEU A 28 14.236 9.653 -0.174 1.00 0.00 N ATOM 391 CA LEU A 28 12.878 9.887 0.307 1.00 0.00 C ATOM 392 C LEU A 28 12.878 10.214 1.797 1.00 0.00 C ATOM 393 O LEU A 28 13.933 10.307 2.423 1.00 0.00 O ATOM 394 CB LEU A 28 12.004 8.661 0.042 1.00 0.00 C ATOM 395 CG LEU A 28 11.592 8.432 -1.412 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.197 9.746 -2.069 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.719 7.764 -2.187 1.00 0.00 C ATOM 0 H LEU A 28 14.516 8.672 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 28 12.469 10.740 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.538 7.777 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.100 8.747 0.645 1.00 0.00 H new ATOM 0 HG LEU A 28 10.727 7.769 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.907 9.563 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.358 10.185 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.043 10.433 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.408 7.609 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.603 8.402 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.954 6.803 -1.731 1.00 0.00 H new ATOM 409 N GLY A 29 11.686 10.386 2.360 1.00 0.00 N ATOM 410 CA GLY A 29 11.570 10.699 3.772 1.00 0.00 C ATOM 411 C GLY A 29 10.543 9.833 4.475 1.00 0.00 C ATOM 412 O GLY A 29 9.870 10.285 5.402 1.00 0.00 O ATOM 0 H GLY A 29 10.798 10.314 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.540 10.568 4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.297 11.748 3.887 1.00 0.00 H new ATOM 416 N PHE A 30 10.421 8.586 4.033 1.00 0.00 N ATOM 417 CA PHE A 30 9.467 7.655 4.625 1.00 0.00 C ATOM 418 C PHE A 30 10.071 6.259 4.744 1.00 0.00 C ATOM 419 O PHE A 30 11.171 6.004 4.255 1.00 0.00 O ATOM 420 CB PHE A 30 8.189 7.600 3.786 1.00 0.00 C ATOM 421 CG PHE A 30 8.434 7.271 2.341 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.692 8.276 1.422 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.408 5.958 1.901 1.00 0.00 C ATOM 424 CE1 PHE A 30 8.917 7.976 0.092 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.633 5.652 0.572 1.00 0.00 C ATOM 426 CZ PHE A 30 8.889 6.662 -0.333 1.00 0.00 C ATOM 0 H PHE A 30 10.971 8.197 3.267 1.00 0.00 H new ATOM 0 HA PHE A 30 9.222 8.012 5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.517 6.855 4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.680 8.562 3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.717 9.305 1.749 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.209 5.163 2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.115 8.768 -0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.609 4.624 0.242 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.067 6.425 -1.372 1.00 0.00 H new ATOM 436 N SER A 31 9.343 5.360 5.399 1.00 0.00 N ATOM 437 CA SER A 31 9.808 3.991 5.587 1.00 0.00 C ATOM 438 C SER A 31 8.794 2.992 5.038 1.00 0.00 C ATOM 439 O SER A 31 7.702 3.371 4.613 1.00 0.00 O ATOM 440 CB SER A 31 10.061 3.715 7.070 1.00 0.00 C ATOM 441 OG SER A 31 11.336 4.188 7.467 1.00 0.00 O ATOM 0 H SER A 31 8.429 5.555 5.808 1.00 0.00 H new ATOM 0 HA SER A 31 10.742 3.873 5.038 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.288 4.196 7.670 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.992 2.644 7.261 1.00 0.00 H new ATOM 0 HG SER A 31 11.472 4.001 8.419 1.00 0.00 H new ATOM 447 N ILE A 32 9.163 1.716 5.050 1.00 0.00 N ATOM 448 CA ILE A 32 8.286 0.663 4.554 1.00 0.00 C ATOM 449 C ILE A 32 8.526 -0.647 5.297 1.00 0.00 C ATOM 450 O ILE A 32 9.601 -0.869 5.856 1.00 0.00 O ATOM 451 CB ILE A 32 8.485 0.428 3.045 1.00 0.00 C ATOM 452 CG1 ILE A 32 9.965 0.556 2.677 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.647 1.411 2.241 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.364 -0.279 1.481 1.00 0.00 C ATOM 0 H ILE A 32 10.063 1.386 5.398 1.00 0.00 H new ATOM 0 HA ILE A 32 7.263 0.996 4.729 1.00 0.00 H new ATOM 0 HB ILE A 32 8.156 -0.583 2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.191 1.602 2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.571 0.262 3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.798 1.232 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.593 1.276 2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.948 2.430 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.426 -0.139 1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.170 -1.331 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.784 0.030 0.611 1.00 0.00 H new ATOM 466 N LEU A 33 7.519 -1.514 5.298 1.00 0.00 N ATOM 467 CA LEU A 33 7.621 -2.804 5.970 1.00 0.00 C ATOM 468 C LEU A 33 6.895 -3.889 5.180 1.00 0.00 C ATOM 469 O LEU A 33 6.216 -3.603 4.194 1.00 0.00 O ATOM 470 CB LEU A 33 7.042 -2.713 7.383 1.00 0.00 C ATOM 471 CG LEU A 33 5.550 -3.022 7.518 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.174 -3.208 8.980 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.717 -1.915 6.888 1.00 0.00 C ATOM 0 H LEU A 33 6.623 -1.347 4.841 1.00 0.00 H new ATOM 0 HA LEU A 33 8.676 -3.070 6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.594 -3.399 8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.220 -1.707 7.763 1.00 0.00 H new ATOM 0 HG LEU A 33 5.342 -3.952 6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.109 -3.427 9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.746 -4.035 9.400 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.397 -2.295 9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.658 -2.152 6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.929 -0.970 7.388 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.966 -1.829 5.830 1.00 0.00 H new ATOM 485 N ASP A 34 7.042 -5.133 5.621 1.00 0.00 N ATOM 486 CA ASP A 34 6.397 -6.261 4.958 1.00 0.00 C ATOM 487 C ASP A 34 5.144 -6.692 5.713 1.00 0.00 C ATOM 488 O ASP A 34 5.194 -6.970 6.911 1.00 0.00 O ATOM 489 CB ASP A 34 7.369 -7.436 4.844 1.00 0.00 C ATOM 490 CG ASP A 34 7.786 -7.976 6.198 1.00 0.00 C ATOM 491 OD1 ASP A 34 7.047 -8.814 6.756 1.00 0.00 O ATOM 492 OD2 ASP A 34 8.851 -7.560 6.700 1.00 0.00 O ATOM 0 H ASP A 34 7.602 -5.386 6.435 1.00 0.00 H new ATOM 0 HA ASP A 34 6.104 -5.943 3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.904 -8.234 4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.255 -7.119 4.294 1.00 0.00 H new ATOM 497 N TYR A 35 4.021 -6.743 5.004 1.00 0.00 N ATOM 498 CA TYR A 35 2.754 -7.137 5.608 1.00 0.00 C ATOM 499 C TYR A 35 2.283 -8.480 5.060 1.00 0.00 C ATOM 500 O TYR A 35 2.669 -8.884 3.963 1.00 0.00 O ATOM 501 CB TYR A 35 1.690 -6.068 5.353 1.00 0.00 C ATOM 502 CG TYR A 35 0.636 -5.993 6.435 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.442 -6.871 6.444 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.716 -5.044 7.446 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.408 -6.806 7.429 1.00 0.00 C ATOM 506 CE2 TYR A 35 -0.245 -4.973 8.436 1.00 0.00 C ATOM 507 CZ TYR A 35 -1.305 -5.856 8.423 1.00 0.00 C ATOM 508 OH TYR A 35 -2.265 -5.787 9.407 1.00 0.00 O ATOM 0 H TYR A 35 3.963 -6.516 4.011 1.00 0.00 H new ATOM 0 HA TYR A 35 2.909 -7.238 6.682 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.177 -5.097 5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.205 -6.271 4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.525 -7.617 5.667 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.543 -4.350 7.458 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.239 -7.495 7.421 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.167 -4.230 9.216 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.043 -5.064 10.030 1.00 0.00 H new ATOM 518 N GLN A 36 1.446 -9.166 5.831 1.00 0.00 N ATOM 519 CA GLN A 36 0.922 -10.465 5.424 1.00 0.00 C ATOM 520 C GLN A 36 -0.600 -10.489 5.513 1.00 0.00 C ATOM 521 O GLN A 36 -1.175 -10.206 6.564 1.00 0.00 O ATOM 522 CB GLN A 36 1.514 -11.574 6.295 1.00 0.00 C ATOM 523 CG GLN A 36 2.789 -12.177 5.729 1.00 0.00 C ATOM 524 CD GLN A 36 3.171 -13.478 6.408 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.298 -13.638 6.877 1.00 0.00 O ATOM 526 NE2 GLN A 36 2.232 -14.414 6.466 1.00 0.00 N ATOM 0 H GLN A 36 1.116 -8.844 6.741 1.00 0.00 H new ATOM 0 HA GLN A 36 1.210 -10.636 4.387 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.721 -11.174 7.287 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.772 -12.363 6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.660 -12.353 4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.604 -11.462 5.838 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.311 -14.238 6.064 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.431 -15.309 6.913 1.00 0.00 H new ATOM 535 N ASP A 37 -1.247 -10.829 4.403 1.00 0.00 N ATOM 536 CA ASP A 37 -2.703 -10.892 4.356 1.00 0.00 C ATOM 537 C ASP A 37 -3.240 -11.860 5.406 1.00 0.00 C ATOM 538 O ASP A 37 -2.700 -12.946 5.618 1.00 0.00 O ATOM 539 CB ASP A 37 -3.172 -11.318 2.964 1.00 0.00 C ATOM 540 CG ASP A 37 -4.630 -10.984 2.717 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.499 -11.788 3.114 1.00 0.00 O ATOM 542 OD2 ASP A 37 -4.902 -9.918 2.127 1.00 0.00 O ATOM 0 H ASP A 37 -0.786 -11.065 3.524 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.092 -9.897 4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.557 -10.826 2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.023 -12.391 2.846 1.00 0.00 H new ATOM 547 N PRO A 38 -4.329 -11.459 6.079 1.00 0.00 N ATOM 548 CA PRO A 38 -4.962 -12.276 7.119 1.00 0.00 C ATOM 549 C PRO A 38 -5.650 -13.511 6.546 1.00 0.00 C ATOM 550 O PRO A 38 -5.904 -14.481 7.262 1.00 0.00 O ATOM 551 CB PRO A 38 -5.992 -11.328 7.737 1.00 0.00 C ATOM 552 CG PRO A 38 -6.299 -10.347 6.659 1.00 0.00 C ATOM 553 CD PRO A 38 -5.025 -10.178 5.878 1.00 0.00 C ATOM 0 HA PRO A 38 -4.235 -12.661 7.834 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.887 -11.866 8.050 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.593 -10.832 8.622 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.104 -10.709 6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.629 -9.397 7.079 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.223 -9.989 4.823 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.436 -9.338 6.247 1.00 0.00 H new ATOM 561 N LEU A 39 -5.950 -13.469 5.253 1.00 0.00 N ATOM 562 CA LEU A 39 -6.609 -14.585 4.583 1.00 0.00 C ATOM 563 C LEU A 39 -5.613 -15.386 3.751 1.00 0.00 C ATOM 564 O LEU A 39 -5.803 -16.579 3.516 1.00 0.00 O ATOM 565 CB LEU A 39 -7.741 -14.073 3.691 1.00 0.00 C ATOM 566 CG LEU A 39 -8.671 -13.032 4.316 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.604 -12.450 3.265 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.467 -13.646 5.458 1.00 0.00 C ATOM 0 H LEU A 39 -5.747 -12.674 4.647 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.025 -15.241 5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.301 -13.644 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.343 -14.926 3.376 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.062 -12.223 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.258 -11.711 3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.016 -11.973 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.207 -13.248 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.123 -12.891 5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.066 -14.474 5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.782 -14.013 6.223 1.00 0.00 H new ATOM 580 N ASP A 40 -4.550 -14.723 3.311 1.00 0.00 N ATOM 581 CA ASP A 40 -3.521 -15.374 2.508 1.00 0.00 C ATOM 582 C ASP A 40 -2.134 -15.117 3.089 1.00 0.00 C ATOM 583 O ASP A 40 -1.492 -14.106 2.803 1.00 0.00 O ATOM 584 CB ASP A 40 -3.582 -14.877 1.062 1.00 0.00 C ATOM 585 CG ASP A 40 -3.162 -15.941 0.067 1.00 0.00 C ATOM 586 OD1 ASP A 40 -3.640 -17.088 0.186 1.00 0.00 O ATOM 587 OD2 ASP A 40 -2.354 -15.625 -0.832 1.00 0.00 O ATOM 0 H ASP A 40 -4.378 -13.735 3.497 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.708 -16.448 2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.597 -14.552 0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.936 -14.006 0.953 1.00 0.00 H new ATOM 592 N PRO A 41 -1.661 -16.051 3.926 1.00 0.00 N ATOM 593 CA PRO A 41 -0.346 -15.948 4.566 1.00 0.00 C ATOM 594 C PRO A 41 0.798 -16.119 3.572 1.00 0.00 C ATOM 595 O PRO A 41 1.927 -15.701 3.829 1.00 0.00 O ATOM 596 CB PRO A 41 -0.352 -17.098 5.577 1.00 0.00 C ATOM 597 CG PRO A 41 -1.318 -18.086 5.021 1.00 0.00 C ATOM 598 CD PRO A 41 -2.372 -17.281 4.313 1.00 0.00 C ATOM 0 HA PRO A 41 -0.188 -14.968 5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.641 -17.534 5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.661 -16.755 6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.823 -18.771 4.333 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.757 -18.692 5.814 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.764 -17.809 3.444 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.219 -17.067 4.965 1.00 0.00 H new ATOM 606 N THR A 42 0.498 -16.737 2.433 1.00 0.00 N ATOM 607 CA THR A 42 1.501 -16.964 1.400 1.00 0.00 C ATOM 608 C THR A 42 1.729 -15.707 0.569 1.00 0.00 C ATOM 609 O THR A 42 2.571 -15.689 -0.329 1.00 0.00 O ATOM 610 CB THR A 42 1.093 -18.117 0.465 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.126 -17.791 -0.213 1.00 0.00 O ATOM 612 CG2 THR A 42 0.913 -19.411 1.246 1.00 0.00 C ATOM 0 H THR A 42 -0.431 -17.089 2.203 1.00 0.00 H new ATOM 0 HA THR A 42 2.426 -17.231 1.911 1.00 0.00 H new ATOM 0 HB THR A 42 1.889 -18.260 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.377 -18.529 -0.807 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.625 -20.211 0.564 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.850 -19.673 1.737 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.135 -19.277 1.997 1.00 0.00 H new ATOM 620 N ARG A 43 0.974 -14.657 0.874 1.00 0.00 N ATOM 621 CA ARG A 43 1.093 -13.395 0.154 1.00 0.00 C ATOM 622 C ARG A 43 1.571 -12.282 1.083 1.00 0.00 C ATOM 623 O ARG A 43 1.289 -12.296 2.281 1.00 0.00 O ATOM 624 CB ARG A 43 -0.249 -13.010 -0.471 1.00 0.00 C ATOM 625 CG ARG A 43 -0.420 -13.506 -1.898 1.00 0.00 C ATOM 626 CD ARG A 43 -1.433 -12.667 -2.661 1.00 0.00 C ATOM 627 NE ARG A 43 -0.883 -11.375 -3.062 1.00 0.00 N ATOM 628 CZ ARG A 43 -1.487 -10.550 -3.910 1.00 0.00 C ATOM 629 NH1 ARG A 43 -2.656 -10.880 -4.443 1.00 0.00 N ATOM 630 NH2 ARG A 43 -0.923 -9.391 -4.227 1.00 0.00 N ATOM 0 H ARG A 43 0.273 -14.655 1.615 1.00 0.00 H new ATOM 0 HA ARG A 43 1.830 -13.526 -0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.055 -13.411 0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.348 -11.925 -0.458 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.540 -13.476 -2.413 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.743 -14.547 -1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.761 -13.212 -3.546 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.314 -12.509 -2.039 1.00 0.00 H new ATOM 0 HE ARG A 43 0.014 -11.090 -2.669 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.094 -11.769 -4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.117 -10.244 -5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.024 -9.133 -3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.388 -8.759 -4.878 1.00 0.00 H new ATOM 644 N SER A 44 2.297 -11.321 0.521 1.00 0.00 N ATOM 645 CA SER A 44 2.818 -10.203 1.299 1.00 0.00 C ATOM 646 C SER A 44 2.679 -8.893 0.529 1.00 0.00 C ATOM 647 O SER A 44 2.688 -8.879 -0.702 1.00 0.00 O ATOM 648 CB SER A 44 4.286 -10.443 1.657 1.00 0.00 C ATOM 649 OG SER A 44 5.014 -10.912 0.536 1.00 0.00 O ATOM 0 H SER A 44 2.538 -11.294 -0.470 1.00 0.00 H new ATOM 0 HA SER A 44 2.235 -10.129 2.217 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.731 -9.517 2.022 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.352 -11.169 2.467 1.00 0.00 H new ATOM 0 HG SER A 44 5.949 -11.056 0.790 1.00 0.00 H new ATOM 655 N VAL A 45 2.549 -7.793 1.264 1.00 0.00 N ATOM 656 CA VAL A 45 2.409 -6.477 0.652 1.00 0.00 C ATOM 657 C VAL A 45 3.163 -5.418 1.448 1.00 0.00 C ATOM 658 O VAL A 45 3.163 -5.435 2.679 1.00 0.00 O ATOM 659 CB VAL A 45 0.929 -6.064 0.542 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.119 -7.156 -0.141 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.360 -5.749 1.917 1.00 0.00 C ATOM 0 H VAL A 45 2.538 -7.787 2.284 1.00 0.00 H new ATOM 0 HA VAL A 45 2.835 -6.546 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 45 0.866 -5.163 -0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.924 -6.846 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.513 -7.329 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.187 -8.076 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.686 -5.459 1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.435 -6.631 2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.923 -4.930 2.365 1.00 0.00 H new ATOM 671 N ILE A 46 3.803 -4.496 0.737 1.00 0.00 N ATOM 672 CA ILE A 46 4.560 -3.427 1.377 1.00 0.00 C ATOM 673 C ILE A 46 3.644 -2.288 1.809 1.00 0.00 C ATOM 674 O ILE A 46 2.819 -1.810 1.029 1.00 0.00 O ATOM 675 CB ILE A 46 5.649 -2.869 0.441 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.646 -3.969 0.070 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.363 -1.699 1.099 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.545 -4.380 1.215 1.00 0.00 C ATOM 0 H ILE A 46 3.813 -4.468 -0.283 1.00 0.00 H new ATOM 0 HA ILE A 46 5.036 -3.861 2.256 1.00 0.00 H new ATOM 0 HB ILE A 46 5.174 -2.512 -0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.097 -4.842 -0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.263 -3.624 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.130 -1.315 0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.644 -0.910 1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.829 -2.032 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.226 -5.163 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.121 -3.518 1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.937 -4.755 2.038 1.00 0.00 H new ATOM 690 N VAL A 47 3.794 -1.855 3.057 1.00 0.00 N ATOM 691 CA VAL A 47 2.982 -0.768 3.592 1.00 0.00 C ATOM 692 C VAL A 47 3.849 0.421 3.990 1.00 0.00 C ATOM 693 O VAL A 47 5.071 0.306 4.089 1.00 0.00 O ATOM 694 CB VAL A 47 2.168 -1.227 4.816 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.852 -0.469 4.897 1.00 0.00 C ATOM 696 CG2 VAL A 47 1.925 -2.728 4.762 1.00 0.00 C ATOM 0 H VAL A 47 4.470 -2.240 3.716 1.00 0.00 H new ATOM 0 HA VAL A 47 2.296 -0.465 2.800 1.00 0.00 H new ATOM 0 HB VAL A 47 2.743 -1.007 5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.291 -0.807 5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.052 0.599 4.986 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.269 -0.655 3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.348 -3.035 5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.371 -2.975 3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.881 -3.251 4.756 1.00 0.00 H new ATOM 706 N ILE A 48 3.209 1.563 4.216 1.00 0.00 N ATOM 707 CA ILE A 48 3.922 2.774 4.605 1.00 0.00 C ATOM 708 C ILE A 48 4.223 2.779 6.099 1.00 0.00 C ATOM 709 O ILE A 48 3.419 3.249 6.904 1.00 0.00 O ATOM 710 CB ILE A 48 3.117 4.039 4.251 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.884 4.115 2.740 1.00 0.00 C ATOM 712 CG2 ILE A 48 3.841 5.282 4.744 1.00 0.00 C ATOM 713 CD1 ILE A 48 4.144 4.385 1.948 1.00 0.00 C ATOM 0 H ILE A 48 2.198 1.675 4.137 1.00 0.00 H new ATOM 0 HA ILE A 48 4.859 2.781 4.048 1.00 0.00 H new ATOM 0 HB ILE A 48 2.148 3.986 4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.445 3.177 2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.158 4.901 2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.260 6.168 4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.960 5.228 5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.822 5.342 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.904 4.426 0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.573 5.337 2.260 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.864 3.587 2.127 1.00 0.00 H new ATOM 725 N ARG A 49 5.389 2.253 6.464 1.00 0.00 N ATOM 726 CA ARG A 49 5.797 2.198 7.862 1.00 0.00 C ATOM 727 C ARG A 49 5.474 3.507 8.576 1.00 0.00 C ATOM 728 O ARG A 49 4.648 3.540 9.489 1.00 0.00 O ATOM 729 CB ARG A 49 7.295 1.904 7.966 1.00 0.00 C ATOM 730 CG ARG A 49 7.804 1.834 9.397 1.00 0.00 C ATOM 731 CD ARG A 49 7.579 0.457 10.001 1.00 0.00 C ATOM 732 NE ARG A 49 7.809 0.448 11.444 1.00 0.00 N ATOM 733 CZ ARG A 49 8.057 -0.655 12.141 1.00 0.00 C ATOM 734 NH1 ARG A 49 8.106 -1.831 11.532 1.00 0.00 N ATOM 735 NH2 ARG A 49 8.256 -0.582 13.451 1.00 0.00 N ATOM 0 H ARG A 49 6.066 1.860 5.811 1.00 0.00 H new ATOM 0 HA ARG A 49 5.241 1.395 8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.507 0.958 7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.846 2.677 7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.867 2.073 9.418 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.297 2.585 10.002 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.559 0.133 9.794 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.245 -0.262 9.523 1.00 0.00 H new ATOM 0 HE ARG A 49 7.777 1.337 11.943 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.953 -1.891 10.525 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.297 -2.676 12.070 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.218 0.321 13.923 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.446 -1.429 13.986 1.00 0.00 H new ATOM 749 N SER A 50 6.130 4.583 8.154 1.00 0.00 N ATOM 750 CA SER A 50 5.915 5.894 8.755 1.00 0.00 C ATOM 751 C SER A 50 6.629 6.981 7.957 1.00 0.00 C ATOM 752 O SER A 50 7.680 6.742 7.362 1.00 0.00 O ATOM 753 CB SER A 50 6.409 5.901 10.203 1.00 0.00 C ATOM 754 OG SER A 50 5.378 5.514 11.095 1.00 0.00 O ATOM 0 H SER A 50 6.815 4.573 7.398 1.00 0.00 H new ATOM 0 HA SER A 50 4.845 6.102 8.742 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.256 5.223 10.305 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.765 6.897 10.464 1.00 0.00 H new ATOM 0 HG SER A 50 4.792 4.864 10.655 1.00 0.00 H new ATOM 760 N LEU A 51 6.050 8.177 7.950 1.00 0.00 N ATOM 761 CA LEU A 51 6.630 9.303 7.226 1.00 0.00 C ATOM 762 C LEU A 51 7.562 10.107 8.126 1.00 0.00 C ATOM 763 O LEU A 51 7.129 10.700 9.114 1.00 0.00 O ATOM 764 CB LEU A 51 5.523 10.207 6.680 1.00 0.00 C ATOM 765 CG LEU A 51 4.218 9.511 6.292 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.151 10.536 5.939 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.448 8.556 5.130 1.00 0.00 C ATOM 0 H LEU A 51 5.180 8.392 8.437 1.00 0.00 H new ATOM 0 HA LEU A 51 7.212 8.908 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.298 10.965 7.430 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.907 10.729 5.804 1.00 0.00 H new ATOM 0 HG LEU A 51 3.868 8.933 7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.229 10.022 5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.966 11.180 6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.492 11.142 5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.509 8.070 4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.821 9.112 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.179 7.801 5.419 1.00 0.00 H new ATOM 779 N VAL A 52 8.844 10.126 7.775 1.00 0.00 N ATOM 780 CA VAL A 52 9.838 10.861 8.549 1.00 0.00 C ATOM 781 C VAL A 52 9.393 12.299 8.790 1.00 0.00 C ATOM 782 O VAL A 52 8.635 12.865 8.003 1.00 0.00 O ATOM 783 CB VAL A 52 11.206 10.870 7.841 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.222 11.658 8.653 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.690 9.449 7.599 1.00 0.00 C ATOM 0 H VAL A 52 9.219 9.641 6.960 1.00 0.00 H new ATOM 0 HA VAL A 52 9.936 10.349 9.506 1.00 0.00 H new ATOM 0 HB VAL A 52 11.092 11.359 6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.182 11.653 8.137 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.877 12.686 8.769 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.336 11.201 9.636 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.658 9.475 7.098 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.789 8.931 8.553 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.971 8.921 6.972 1.00 0.00 H new ATOM 795 N ALA A 53 9.869 12.884 9.884 1.00 0.00 N ATOM 796 CA ALA A 53 9.523 14.257 10.228 1.00 0.00 C ATOM 797 C ALA A 53 9.922 15.220 9.115 1.00 0.00 C ATOM 798 O ALA A 53 11.107 15.451 8.876 1.00 0.00 O ATOM 799 CB ALA A 53 10.187 14.657 11.537 1.00 0.00 C ATOM 0 H ALA A 53 10.496 12.428 10.547 1.00 0.00 H new ATOM 0 HA ALA A 53 8.441 14.312 10.350 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.920 15.685 11.781 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.849 13.995 12.334 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.269 14.578 11.435 1.00 0.00 H new ATOM 805 N ASP A 54 8.925 15.778 8.436 1.00 0.00 N ATOM 806 CA ASP A 54 9.173 16.716 7.348 1.00 0.00 C ATOM 807 C ASP A 54 9.881 16.026 6.186 1.00 0.00 C ATOM 808 O ASP A 54 10.703 16.631 5.499 1.00 0.00 O ATOM 809 CB ASP A 54 10.010 17.896 7.843 1.00 0.00 C ATOM 810 CG ASP A 54 9.460 18.500 9.121 1.00 0.00 C ATOM 811 OD1 ASP A 54 9.814 18.005 10.211 1.00 0.00 O ATOM 812 OD2 ASP A 54 8.677 19.468 9.030 1.00 0.00 O ATOM 0 H ASP A 54 7.938 15.597 8.620 1.00 0.00 H new ATOM 0 HA ASP A 54 8.211 17.087 6.995 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.035 17.565 8.012 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.046 18.662 7.069 1.00 0.00 H new ATOM 817 N GLY A 55 9.557 14.754 5.973 1.00 0.00 N ATOM 818 CA GLY A 55 10.172 14.003 4.895 1.00 0.00 C ATOM 819 C GLY A 55 9.436 14.166 3.580 1.00 0.00 C ATOM 820 O GLY A 55 8.238 14.452 3.562 1.00 0.00 O ATOM 0 H GLY A 55 8.880 14.231 6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.205 14.329 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.201 12.947 5.163 1.00 0.00 H new ATOM 824 N VAL A 56 10.153 13.986 2.475 1.00 0.00 N ATOM 825 CA VAL A 56 9.560 14.115 1.149 1.00 0.00 C ATOM 826 C VAL A 56 8.125 13.601 1.136 1.00 0.00 C ATOM 827 O VAL A 56 7.250 14.189 0.501 1.00 0.00 O ATOM 828 CB VAL A 56 10.378 13.350 0.092 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.706 13.439 -1.270 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.800 13.885 0.029 1.00 0.00 C ATOM 0 H VAL A 56 11.145 13.750 2.472 1.00 0.00 H new ATOM 0 HA VAL A 56 9.564 15.177 0.902 1.00 0.00 H new ATOM 0 HB VAL A 56 10.422 12.300 0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.298 12.893 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.708 13.004 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.630 14.484 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.364 13.333 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.780 14.942 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.278 13.764 1.001 1.00 0.00 H new ATOM 840 N ALA A 57 7.890 12.500 1.843 1.00 0.00 N ATOM 841 CA ALA A 57 6.560 11.908 1.915 1.00 0.00 C ATOM 842 C ALA A 57 5.543 12.907 2.456 1.00 0.00 C ATOM 843 O ALA A 57 4.654 13.354 1.732 1.00 0.00 O ATOM 844 CB ALA A 57 6.586 10.657 2.781 1.00 0.00 C ATOM 0 H ALA A 57 8.603 12.000 2.374 1.00 0.00 H new ATOM 0 HA ALA A 57 6.257 11.632 0.905 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.586 10.225 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.276 9.931 2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.914 10.918 3.787 1.00 0.00 H new ATOM 850 N GLU A 58 5.680 13.252 3.732 1.00 0.00 N ATOM 851 CA GLU A 58 4.770 14.197 4.369 1.00 0.00 C ATOM 852 C GLU A 58 4.771 15.533 3.632 1.00 0.00 C ATOM 853 O GLU A 58 3.716 16.120 3.389 1.00 0.00 O ATOM 854 CB GLU A 58 5.163 14.409 5.833 1.00 0.00 C ATOM 855 CG GLU A 58 4.108 15.141 6.646 1.00 0.00 C ATOM 856 CD GLU A 58 4.276 16.647 6.598 1.00 0.00 C ATOM 857 OE1 GLU A 58 5.411 17.124 6.805 1.00 0.00 O ATOM 858 OE2 GLU A 58 3.272 17.349 6.353 1.00 0.00 O ATOM 0 H GLU A 58 6.412 12.892 4.345 1.00 0.00 H new ATOM 0 HA GLU A 58 3.764 13.779 4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.356 13.440 6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.095 14.972 5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.119 14.877 6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.156 14.807 7.682 1.00 0.00 H new ATOM 865 N ARG A 59 5.961 16.008 3.280 1.00 0.00 N ATOM 866 CA ARG A 59 6.100 17.275 2.573 1.00 0.00 C ATOM 867 C ARG A 59 5.048 17.403 1.475 1.00 0.00 C ATOM 868 O ARG A 59 4.231 18.324 1.488 1.00 0.00 O ATOM 869 CB ARG A 59 7.500 17.396 1.969 1.00 0.00 C ATOM 870 CG ARG A 59 8.602 17.529 3.007 1.00 0.00 C ATOM 871 CD ARG A 59 9.980 17.425 2.374 1.00 0.00 C ATOM 872 NE ARG A 59 10.979 18.200 3.105 1.00 0.00 N ATOM 873 CZ ARG A 59 11.168 19.503 2.933 1.00 0.00 C ATOM 874 NH1 ARG A 59 10.429 20.174 2.060 1.00 0.00 N ATOM 875 NH2 ARG A 59 12.097 20.139 3.636 1.00 0.00 N ATOM 0 H ARG A 59 6.843 15.534 3.473 1.00 0.00 H new ATOM 0 HA ARG A 59 5.951 18.081 3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.697 16.519 1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.528 18.263 1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.507 18.487 3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.488 16.751 3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.286 16.379 2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.933 17.776 1.343 1.00 0.00 H new ATOM 0 HE ARG A 59 11.564 17.714 3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.713 19.689 1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.576 21.175 1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.667 19.627 4.309 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.241 21.140 3.503 1.00 0.00 H new ATOM 889 N SER A 60 5.075 16.473 0.526 1.00 0.00 N ATOM 890 CA SER A 60 4.126 16.484 -0.582 1.00 0.00 C ATOM 891 C SER A 60 2.691 16.551 -0.068 1.00 0.00 C ATOM 892 O SER A 60 1.883 17.341 -0.553 1.00 0.00 O ATOM 893 CB SER A 60 4.311 15.238 -1.451 1.00 0.00 C ATOM 894 OG SER A 60 3.792 14.087 -0.809 1.00 0.00 O ATOM 0 H SER A 60 5.743 15.703 0.502 1.00 0.00 H new ATOM 0 HA SER A 60 4.319 17.371 -1.185 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.810 15.381 -2.409 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.370 15.093 -1.664 1.00 0.00 H new ATOM 0 HG SER A 60 4.210 13.987 0.072 1.00 0.00 H new ATOM 900 N GLY A 61 2.383 15.714 0.918 1.00 0.00 N ATOM 901 CA GLY A 61 1.046 15.694 1.482 1.00 0.00 C ATOM 902 C GLY A 61 0.134 14.708 0.778 1.00 0.00 C ATOM 903 O GLY A 61 -1.020 15.018 0.488 1.00 0.00 O ATOM 0 H GLY A 61 3.035 15.050 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.105 15.438 2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.614 16.693 1.419 1.00 0.00 H new ATOM 907 N GLY A 62 0.655 13.517 0.500 1.00 0.00 N ATOM 908 CA GLY A 62 -0.133 12.502 -0.175 1.00 0.00 C ATOM 909 C GLY A 62 0.022 11.133 0.458 1.00 0.00 C ATOM 910 O GLY A 62 -0.930 10.352 0.506 1.00 0.00 O ATOM 0 H GLY A 62 1.608 13.237 0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.184 12.791 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.166 12.451 -1.222 1.00 0.00 H new ATOM 914 N LEU A 63 1.223 10.839 0.943 1.00 0.00 N ATOM 915 CA LEU A 63 1.499 9.554 1.575 1.00 0.00 C ATOM 916 C LEU A 63 1.081 9.567 3.042 1.00 0.00 C ATOM 917 O LEU A 63 0.982 10.627 3.661 1.00 0.00 O ATOM 918 CB LEU A 63 2.986 9.216 1.460 1.00 0.00 C ATOM 919 CG LEU A 63 3.409 8.471 0.193 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.327 9.387 -1.018 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.816 7.913 0.347 1.00 0.00 C ATOM 0 H LEU A 63 2.021 11.473 0.911 1.00 0.00 H new ATOM 0 HA LEU A 63 0.918 8.791 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.555 10.144 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.269 8.614 2.323 1.00 0.00 H new ATOM 0 HG LEU A 63 2.724 7.637 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.632 8.839 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.302 9.738 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.988 10.241 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.100 7.386 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.514 8.731 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.843 7.222 1.189 1.00 0.00 H new ATOM 933 N LEU A 64 0.839 8.383 3.593 1.00 0.00 N ATOM 934 CA LEU A 64 0.435 8.257 4.989 1.00 0.00 C ATOM 935 C LEU A 64 0.772 6.872 5.532 1.00 0.00 C ATOM 936 O LEU A 64 0.842 5.889 4.793 1.00 0.00 O ATOM 937 CB LEU A 64 -1.065 8.521 5.131 1.00 0.00 C ATOM 938 CG LEU A 64 -1.512 9.972 4.948 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.029 10.072 4.983 1.00 0.00 C ATOM 940 CD2 LEU A 64 -0.892 10.860 6.016 1.00 0.00 C ATOM 0 H LEU A 64 0.915 7.496 3.095 1.00 0.00 H new ATOM 0 HA LEU A 64 0.986 8.998 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.592 7.905 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.380 8.187 6.119 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.168 10.317 3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.328 11.112 4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.452 9.468 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.396 9.708 5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.221 11.889 5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.204 10.516 7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.195 10.813 5.943 1.00 0.00 H new ATOM 952 N PRO A 65 0.985 6.789 6.853 1.00 0.00 N ATOM 953 CA PRO A 65 1.316 5.529 7.525 1.00 0.00 C ATOM 954 C PRO A 65 0.138 4.561 7.555 1.00 0.00 C ATOM 955 O PRO A 65 -0.900 4.849 8.150 1.00 0.00 O ATOM 956 CB PRO A 65 1.683 5.969 8.944 1.00 0.00 C ATOM 957 CG PRO A 65 0.956 7.254 9.142 1.00 0.00 C ATOM 958 CD PRO A 65 0.918 7.920 7.794 1.00 0.00 C ATOM 0 HA PRO A 65 2.113 4.991 7.012 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.379 5.225 9.680 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.759 6.103 9.051 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.052 7.078 9.519 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.465 7.882 9.873 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.006 8.502 7.659 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.756 8.604 7.660 1.00 0.00 H new ATOM 966 N GLY A 66 0.305 3.412 6.908 1.00 0.00 N ATOM 967 CA GLY A 66 -0.753 2.419 6.874 1.00 0.00 C ATOM 968 C GLY A 66 -1.164 2.058 5.460 1.00 0.00 C ATOM 969 O GLY A 66 -1.686 0.970 5.217 1.00 0.00 O ATOM 0 H GLY A 66 1.154 3.151 6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.420 1.520 7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.620 2.797 7.416 1.00 0.00 H new ATOM 973 N ASP A 67 -0.928 2.973 4.526 1.00 0.00 N ATOM 974 CA ASP A 67 -1.278 2.746 3.128 1.00 0.00 C ATOM 975 C ASP A 67 -0.317 1.753 2.482 1.00 0.00 C ATOM 976 O ASP A 67 0.871 1.725 2.804 1.00 0.00 O ATOM 977 CB ASP A 67 -1.264 4.066 2.356 1.00 0.00 C ATOM 978 CG ASP A 67 -2.279 5.059 2.887 1.00 0.00 C ATOM 979 OD1 ASP A 67 -2.490 5.091 4.118 1.00 0.00 O ATOM 980 OD2 ASP A 67 -2.862 5.804 2.072 1.00 0.00 O ATOM 0 H ASP A 67 -0.496 3.878 4.711 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.283 2.325 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.268 4.505 2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.468 3.870 1.303 1.00 0.00 H new ATOM 985 N ARG A 68 -0.839 0.940 1.569 1.00 0.00 N ATOM 986 CA ARG A 68 -0.028 -0.055 0.879 1.00 0.00 C ATOM 987 C ARG A 68 0.574 0.524 -0.397 1.00 0.00 C ATOM 988 O ARG A 68 -0.135 1.093 -1.228 1.00 0.00 O ATOM 989 CB ARG A 68 -0.870 -1.288 0.545 1.00 0.00 C ATOM 990 CG ARG A 68 -0.088 -2.388 -0.155 1.00 0.00 C ATOM 991 CD ARG A 68 -0.983 -3.214 -1.066 1.00 0.00 C ATOM 992 NE ARG A 68 -0.217 -4.150 -1.884 1.00 0.00 N ATOM 993 CZ ARG A 68 -0.751 -4.892 -2.847 1.00 0.00 C ATOM 994 NH1 ARG A 68 -2.048 -4.808 -3.111 1.00 0.00 N ATOM 995 NH2 ARG A 68 0.012 -5.721 -3.548 1.00 0.00 N ATOM 0 H ARG A 68 -1.820 0.951 1.290 1.00 0.00 H new ATOM 0 HA ARG A 68 0.785 -0.348 1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.297 -1.686 1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.704 -0.987 -0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.720 -1.947 -0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.374 -3.037 0.589 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.704 -3.766 -0.463 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.553 -2.549 -1.714 1.00 0.00 H new ATOM 0 HE ARG A 68 0.783 -4.239 -1.706 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.638 -4.172 -2.574 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.456 -5.379 -3.851 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.010 -5.789 -3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.399 -6.291 -4.288 1.00 0.00 H new ATOM 1009 N LEU A 69 1.886 0.376 -0.547 1.00 0.00 N ATOM 1010 CA LEU A 69 2.585 0.885 -1.722 1.00 0.00 C ATOM 1011 C LEU A 69 2.497 -0.106 -2.879 1.00 0.00 C ATOM 1012 O LEU A 69 2.976 -1.236 -2.780 1.00 0.00 O ATOM 1013 CB LEU A 69 4.050 1.166 -1.387 1.00 0.00 C ATOM 1014 CG LEU A 69 4.935 1.601 -2.556 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.327 2.798 -3.269 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.340 1.924 -2.069 1.00 0.00 C ATOM 0 H LEU A 69 2.487 -0.093 0.131 1.00 0.00 H new ATOM 0 HA LEU A 69 2.104 1.815 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.085 1.942 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.480 0.266 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 69 4.999 0.776 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.971 3.093 -4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.342 2.532 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.232 3.629 -2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.956 2.232 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.295 2.732 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.776 1.040 -1.605 1.00 0.00 H new ATOM 1028 N VAL A 70 1.883 0.326 -3.976 1.00 0.00 N ATOM 1029 CA VAL A 70 1.736 -0.521 -5.153 1.00 0.00 C ATOM 1030 C VAL A 70 3.036 -0.592 -5.946 1.00 0.00 C ATOM 1031 O VAL A 70 3.541 -1.677 -6.234 1.00 0.00 O ATOM 1032 CB VAL A 70 0.612 -0.010 -6.075 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.388 -0.976 -7.229 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.671 0.198 -5.285 1.00 0.00 C ATOM 0 H VAL A 70 1.479 1.258 -4.074 1.00 0.00 H new ATOM 0 HA VAL A 70 1.478 -1.518 -4.795 1.00 0.00 H new ATOM 0 HB VAL A 70 0.915 0.951 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.409 -0.599 -7.870 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.306 -1.069 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.106 -1.953 -6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.454 0.559 -5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.981 -0.747 -4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.498 0.931 -4.497 1.00 0.00 H new ATOM 1044 N SER A 71 3.574 0.572 -6.295 1.00 0.00 N ATOM 1045 CA SER A 71 4.815 0.643 -7.058 1.00 0.00 C ATOM 1046 C SER A 71 5.498 1.993 -6.860 1.00 0.00 C ATOM 1047 O SER A 71 4.869 2.965 -6.441 1.00 0.00 O ATOM 1048 CB SER A 71 4.538 0.412 -8.544 1.00 0.00 C ATOM 1049 OG SER A 71 3.352 1.072 -8.951 1.00 0.00 O ATOM 0 H SER A 71 3.170 1.479 -6.062 1.00 0.00 H new ATOM 0 HA SER A 71 5.482 -0.139 -6.694 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.380 0.774 -9.134 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.448 -0.657 -8.738 1.00 0.00 H new ATOM 0 HG SER A 71 3.198 0.910 -9.905 1.00 0.00 H new ATOM 1055 N VAL A 72 6.791 2.045 -7.165 1.00 0.00 N ATOM 1056 CA VAL A 72 7.561 3.275 -7.022 1.00 0.00 C ATOM 1057 C VAL A 72 8.408 3.540 -8.261 1.00 0.00 C ATOM 1058 O VAL A 72 9.389 2.842 -8.515 1.00 0.00 O ATOM 1059 CB VAL A 72 8.479 3.222 -5.787 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.427 4.411 -5.774 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.653 3.175 -4.510 1.00 0.00 C ATOM 0 H VAL A 72 7.327 1.250 -7.513 1.00 0.00 H new ATOM 0 HA VAL A 72 6.843 4.085 -6.897 1.00 0.00 H new ATOM 0 HB VAL A 72 9.077 2.312 -5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.068 4.356 -4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.043 4.395 -6.673 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.851 5.336 -5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.318 3.138 -3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.028 4.066 -4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.020 2.288 -4.518 1.00 0.00 H new ATOM 1071 N ASN A 73 8.023 4.553 -9.030 1.00 0.00 N ATOM 1072 CA ASN A 73 8.748 4.910 -10.244 1.00 0.00 C ATOM 1073 C ASN A 73 8.692 3.778 -11.264 1.00 0.00 C ATOM 1074 O ASN A 73 9.712 3.391 -11.834 1.00 0.00 O ATOM 1075 CB ASN A 73 10.204 5.243 -9.914 1.00 0.00 C ATOM 1076 CG ASN A 73 10.396 6.703 -9.552 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.461 7.374 -9.115 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.614 7.202 -9.732 1.00 0.00 N ATOM 0 H ASN A 73 7.213 5.141 -8.834 1.00 0.00 H new ATOM 0 HA ASN A 73 8.271 5.789 -10.677 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.537 4.619 -9.085 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.833 4.998 -10.770 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.804 8.178 -9.505 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.359 6.609 -10.097 1.00 0.00 H new ATOM 1085 N GLU A 74 7.492 3.251 -11.490 1.00 0.00 N ATOM 1086 CA GLU A 74 7.304 2.162 -12.442 1.00 0.00 C ATOM 1087 C GLU A 74 7.986 0.888 -11.953 1.00 0.00 C ATOM 1088 O GLU A 74 8.768 0.273 -12.678 1.00 0.00 O ATOM 1089 CB GLU A 74 7.854 2.554 -13.814 1.00 0.00 C ATOM 1090 CG GLU A 74 7.351 3.900 -14.310 1.00 0.00 C ATOM 1091 CD GLU A 74 7.522 4.070 -15.807 1.00 0.00 C ATOM 1092 OE1 GLU A 74 8.630 4.454 -16.238 1.00 0.00 O ATOM 1093 OE2 GLU A 74 6.548 3.821 -16.549 1.00 0.00 O ATOM 0 H GLU A 74 6.637 3.560 -11.028 1.00 0.00 H new ATOM 0 HA GLU A 74 6.235 1.970 -12.529 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.943 2.578 -13.766 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.583 1.785 -14.538 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.297 4.007 -14.054 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.887 4.697 -13.794 1.00 0.00 H new ATOM 1100 N TYR A 75 7.684 0.498 -10.720 1.00 0.00 N ATOM 1101 CA TYR A 75 8.270 -0.701 -10.132 1.00 0.00 C ATOM 1102 C TYR A 75 7.203 -1.546 -9.443 1.00 0.00 C ATOM 1103 O TYR A 75 6.682 -1.172 -8.392 1.00 0.00 O ATOM 1104 CB TYR A 75 9.362 -0.322 -9.131 1.00 0.00 C ATOM 1105 CG TYR A 75 10.729 -0.163 -9.757 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.138 1.057 -10.281 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.613 -1.234 -9.825 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.386 1.206 -10.855 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.863 -1.094 -10.396 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.244 0.128 -10.910 1.00 0.00 C ATOM 1111 OH TYR A 75 14.489 0.272 -11.480 1.00 0.00 O ATOM 0 H TYR A 75 7.037 0.995 -10.108 1.00 0.00 H new ATOM 0 HA TYR A 75 8.712 -1.291 -10.935 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.085 0.611 -8.641 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.413 -1.086 -8.356 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.469 1.904 -10.239 1.00 0.00 H new ATOM 0 HD2 TYR A 75 11.317 -2.192 -9.424 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.688 2.161 -11.258 1.00 0.00 H new ATOM 0 HE2 TYR A 75 13.538 -1.936 -10.440 1.00 0.00 H new ATOM 0 HH TYR A 75 14.969 -0.581 -11.438 1.00 0.00 H new ATOM 1121 N CYS A 76 6.885 -2.689 -10.041 1.00 0.00 N ATOM 1122 CA CYS A 76 5.881 -3.589 -9.486 1.00 0.00 C ATOM 1123 C CYS A 76 6.337 -4.150 -8.143 1.00 0.00 C ATOM 1124 O CYS A 76 7.073 -5.136 -8.088 1.00 0.00 O ATOM 1125 CB CYS A 76 5.597 -4.733 -10.461 1.00 0.00 C ATOM 1126 SG CYS A 76 5.020 -4.192 -12.086 1.00 0.00 S ATOM 0 H CYS A 76 7.308 -3.014 -10.910 1.00 0.00 H new ATOM 0 HA CYS A 76 4.965 -3.020 -9.329 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.505 -5.322 -10.588 1.00 0.00 H new ATOM 0 HB3 CYS A 76 4.848 -5.392 -10.022 1.00 0.00 H new ATOM 0 HG CYS A 76 4.809 -5.230 -12.840 1.00 0.00 H new ATOM 1132 N LEU A 77 5.896 -3.516 -7.062 1.00 0.00 N ATOM 1133 CA LEU A 77 6.260 -3.950 -5.718 1.00 0.00 C ATOM 1134 C LEU A 77 5.205 -4.891 -5.146 1.00 0.00 C ATOM 1135 O LEU A 77 4.980 -4.925 -3.936 1.00 0.00 O ATOM 1136 CB LEU A 77 6.433 -2.740 -4.799 1.00 0.00 C ATOM 1137 CG LEU A 77 7.432 -1.680 -5.265 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.574 -0.585 -4.220 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.783 -2.315 -5.562 1.00 0.00 C ATOM 0 H LEU A 77 5.286 -2.699 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 77 7.206 -4.489 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.461 -2.263 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.744 -3.096 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 77 7.054 -1.231 -6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.289 0.160 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.606 -0.111 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.929 -1.018 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.482 -1.546 -5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.167 -2.791 -4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.669 -3.063 -6.347 1.00 0.00 H new ATOM 1151 N ASP A 78 4.563 -5.655 -6.023 1.00 0.00 N ATOM 1152 CA ASP A 78 3.534 -6.600 -5.605 1.00 0.00 C ATOM 1153 C ASP A 78 4.159 -7.898 -5.104 1.00 0.00 C ATOM 1154 O ASP A 78 4.723 -8.667 -5.882 1.00 0.00 O ATOM 1155 CB ASP A 78 2.579 -6.893 -6.763 1.00 0.00 C ATOM 1156 CG ASP A 78 3.227 -7.726 -7.851 1.00 0.00 C ATOM 1157 OD1 ASP A 78 3.915 -7.144 -8.716 1.00 0.00 O ATOM 1158 OD2 ASP A 78 3.047 -8.962 -7.837 1.00 0.00 O ATOM 0 H ASP A 78 4.737 -5.638 -7.028 1.00 0.00 H new ATOM 0 HA ASP A 78 2.973 -6.149 -4.787 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.702 -7.416 -6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.230 -5.952 -7.189 1.00 0.00 H new ATOM 1163 N ASN A 79 4.055 -8.135 -3.801 1.00 0.00 N ATOM 1164 CA ASN A 79 4.611 -9.340 -3.196 1.00 0.00 C ATOM 1165 C ASN A 79 6.136 -9.306 -3.220 1.00 0.00 C ATOM 1166 O ASN A 79 6.787 -10.308 -3.519 1.00 0.00 O ATOM 1167 CB ASN A 79 4.106 -10.584 -3.929 1.00 0.00 C ATOM 1168 CG ASN A 79 2.675 -10.432 -4.407 1.00 0.00 C ATOM 1169 OD1 ASN A 79 1.776 -10.131 -3.623 1.00 0.00 O ATOM 1170 ND2 ASN A 79 2.458 -10.642 -5.700 1.00 0.00 N ATOM 0 H ASN A 79 3.591 -7.509 -3.143 1.00 0.00 H new ATOM 0 HA ASN A 79 4.282 -9.380 -2.158 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.752 -10.786 -4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.175 -11.446 -3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.515 -10.555 -6.080 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.234 -10.890 -6.314 1.00 0.00 H new ATOM 1177 N THR A 80 6.702 -8.145 -2.903 1.00 0.00 N ATOM 1178 CA THR A 80 8.150 -7.980 -2.888 1.00 0.00 C ATOM 1179 C THR A 80 8.699 -8.065 -1.469 1.00 0.00 C ATOM 1180 O THR A 80 8.055 -7.624 -0.516 1.00 0.00 O ATOM 1181 CB THR A 80 8.568 -6.633 -3.508 1.00 0.00 C ATOM 1182 OG1 THR A 80 7.965 -6.479 -4.798 1.00 0.00 O ATOM 1183 CG2 THR A 80 10.081 -6.541 -3.635 1.00 0.00 C ATOM 0 H THR A 80 6.179 -7.306 -2.653 1.00 0.00 H new ATOM 0 HA THR A 80 8.566 -8.792 -3.485 1.00 0.00 H new ATOM 0 HB THR A 80 8.226 -5.834 -2.850 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.610 -6.073 -5.414 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.351 -5.581 -4.075 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.535 -6.628 -2.648 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.442 -7.348 -4.273 1.00 0.00 H new ATOM 1191 N SER A 81 9.893 -8.634 -1.334 1.00 0.00 N ATOM 1192 CA SER A 81 10.527 -8.779 -0.029 1.00 0.00 C ATOM 1193 C SER A 81 11.004 -7.429 0.497 1.00 0.00 C ATOM 1194 O SER A 81 11.635 -6.656 -0.224 1.00 0.00 O ATOM 1195 CB SER A 81 11.707 -9.750 -0.117 1.00 0.00 C ATOM 1196 OG SER A 81 11.298 -11.003 -0.638 1.00 0.00 O ATOM 0 H SER A 81 10.440 -9.002 -2.112 1.00 0.00 H new ATOM 0 HA SER A 81 9.787 -9.178 0.664 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.485 -9.325 -0.751 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.143 -9.889 0.872 1.00 0.00 H new ATOM 0 HG SER A 81 12.070 -11.605 -0.686 1.00 0.00 H new ATOM 1202 N LEU A 82 10.697 -7.152 1.760 1.00 0.00 N ATOM 1203 CA LEU A 82 11.093 -5.894 2.385 1.00 0.00 C ATOM 1204 C LEU A 82 12.466 -5.450 1.892 1.00 0.00 C ATOM 1205 O LEU A 82 12.653 -4.299 1.499 1.00 0.00 O ATOM 1206 CB LEU A 82 11.108 -6.042 3.907 1.00 0.00 C ATOM 1207 CG LEU A 82 11.843 -4.946 4.680 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.133 -3.611 4.519 1.00 0.00 C ATOM 1209 CD2 LEU A 82 11.957 -5.317 6.152 1.00 0.00 C ATOM 0 H LEU A 82 10.176 -7.781 2.371 1.00 0.00 H new ATOM 0 HA LEU A 82 10.364 -5.133 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.077 -6.078 4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.563 -7.001 4.154 1.00 0.00 H new ATOM 0 HG LEU A 82 12.849 -4.851 4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.670 -2.844 5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.103 -3.340 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.116 -3.692 4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.483 -4.526 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.960 -5.440 6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.510 -6.251 6.250 1.00 0.00 H new ATOM 1221 N ALA A 83 13.424 -6.371 1.913 1.00 0.00 N ATOM 1222 CA ALA A 83 14.778 -6.076 1.465 1.00 0.00 C ATOM 1223 C ALA A 83 14.780 -5.552 0.032 1.00 0.00 C ATOM 1224 O ALA A 83 15.497 -4.605 -0.291 1.00 0.00 O ATOM 1225 CB ALA A 83 15.654 -7.315 1.577 1.00 0.00 C ATOM 0 H ALA A 83 13.286 -7.329 2.236 1.00 0.00 H new ATOM 0 HA ALA A 83 15.186 -5.298 2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.663 -7.079 1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.687 -7.644 2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.240 -8.110 0.957 1.00 0.00 H new ATOM 1231 N GLU A 84 13.974 -6.175 -0.822 1.00 0.00 N ATOM 1232 CA GLU A 84 13.885 -5.771 -2.220 1.00 0.00 C ATOM 1233 C GLU A 84 13.219 -4.404 -2.351 1.00 0.00 C ATOM 1234 O GLU A 84 13.667 -3.555 -3.121 1.00 0.00 O ATOM 1235 CB GLU A 84 13.103 -6.811 -3.025 1.00 0.00 C ATOM 1236 CG GLU A 84 13.975 -7.908 -3.612 1.00 0.00 C ATOM 1237 CD GLU A 84 13.348 -8.565 -4.826 1.00 0.00 C ATOM 1238 OE1 GLU A 84 12.167 -8.964 -4.742 1.00 0.00 O ATOM 1239 OE2 GLU A 84 14.038 -8.680 -5.861 1.00 0.00 O ATOM 0 H GLU A 84 13.374 -6.961 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 84 14.898 -5.701 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.348 -7.264 -2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.573 -6.308 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.942 -7.489 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.162 -8.665 -2.850 1.00 0.00 H new ATOM 1246 N ALA A 85 12.147 -4.201 -1.592 1.00 0.00 N ATOM 1247 CA ALA A 85 11.419 -2.938 -1.622 1.00 0.00 C ATOM 1248 C ALA A 85 12.321 -1.775 -1.221 1.00 0.00 C ATOM 1249 O ALA A 85 12.405 -0.770 -1.926 1.00 0.00 O ATOM 1250 CB ALA A 85 10.206 -3.006 -0.707 1.00 0.00 C ATOM 0 H ALA A 85 11.764 -4.894 -0.949 1.00 0.00 H new ATOM 0 HA ALA A 85 11.081 -2.767 -2.644 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.672 -2.056 -0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.544 -3.806 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.531 -3.205 0.314 1.00 0.00 H new ATOM 1256 N VAL A 86 12.995 -1.919 -0.084 1.00 0.00 N ATOM 1257 CA VAL A 86 13.891 -0.881 0.411 1.00 0.00 C ATOM 1258 C VAL A 86 14.967 -0.549 -0.617 1.00 0.00 C ATOM 1259 O VAL A 86 15.283 0.619 -0.843 1.00 0.00 O ATOM 1260 CB VAL A 86 14.568 -1.305 1.728 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.525 -0.224 2.208 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.522 -1.612 2.789 1.00 0.00 C ATOM 0 H VAL A 86 12.937 -2.745 0.512 1.00 0.00 H new ATOM 0 HA VAL A 86 13.281 0.004 0.594 1.00 0.00 H new ATOM 0 HB VAL A 86 15.144 -2.212 1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 86 15.994 -0.541 3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.293 -0.057 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 86 14.974 0.701 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.018 -1.910 3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.917 -0.724 2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.880 -2.423 2.444 1.00 0.00 H new ATOM 1272 N GLU A 87 15.526 -1.584 -1.237 1.00 0.00 N ATOM 1273 CA GLU A 87 16.567 -1.401 -2.241 1.00 0.00 C ATOM 1274 C GLU A 87 16.032 -0.633 -3.446 1.00 0.00 C ATOM 1275 O GLU A 87 16.744 0.169 -4.050 1.00 0.00 O ATOM 1276 CB GLU A 87 17.118 -2.756 -2.689 1.00 0.00 C ATOM 1277 CG GLU A 87 18.031 -3.411 -1.665 1.00 0.00 C ATOM 1278 CD GLU A 87 19.453 -2.892 -1.735 1.00 0.00 C ATOM 1279 OE1 GLU A 87 19.973 -2.737 -2.861 1.00 0.00 O ATOM 1280 OE2 GLU A 87 20.047 -2.640 -0.666 1.00 0.00 O ATOM 0 H GLU A 87 15.275 -2.557 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 87 17.372 -0.820 -1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.284 -3.426 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.667 -2.625 -3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.633 -3.237 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.034 -4.489 -1.823 1.00 0.00 H new ATOM 1287 N ILE A 88 14.774 -0.886 -3.790 1.00 0.00 N ATOM 1288 CA ILE A 88 14.143 -0.219 -4.922 1.00 0.00 C ATOM 1289 C ILE A 88 14.026 1.282 -4.680 1.00 0.00 C ATOM 1290 O ILE A 88 14.241 2.086 -5.588 1.00 0.00 O ATOM 1291 CB ILE A 88 12.742 -0.793 -5.204 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.854 -2.170 -5.861 1.00 0.00 C ATOM 1293 CG2 ILE A 88 11.948 0.158 -6.087 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.690 -3.085 -5.549 1.00 0.00 C ATOM 0 H ILE A 88 14.172 -1.548 -3.301 1.00 0.00 H new ATOM 0 HA ILE A 88 14.780 -0.396 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 88 12.214 -0.905 -4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.927 -2.043 -6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.778 -2.646 -5.533 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.960 -0.262 -6.277 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.843 1.119 -5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.471 0.298 -7.033 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.837 -4.043 -6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.629 -3.242 -4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.765 -2.630 -5.902 1.00 0.00 H new ATOM 1306 N LEU A 89 13.686 1.653 -3.451 1.00 0.00 N ATOM 1307 CA LEU A 89 13.542 3.058 -3.088 1.00 0.00 C ATOM 1308 C LEU A 89 14.903 3.741 -3.003 1.00 0.00 C ATOM 1309 O LEU A 89 15.013 4.955 -3.176 1.00 0.00 O ATOM 1310 CB LEU A 89 12.810 3.187 -1.751 1.00 0.00 C ATOM 1311 CG LEU A 89 11.286 3.282 -1.827 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.667 3.037 -0.459 1.00 0.00 C ATOM 1313 CD2 LEU A 89 10.862 4.639 -2.370 1.00 0.00 C ATOM 0 H LEU A 89 13.505 1.000 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 89 12.957 3.550 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.070 2.328 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.184 4.073 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 89 10.927 2.512 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.582 3.109 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.942 2.042 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.033 3.784 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.774 4.688 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.233 5.426 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.275 4.776 -3.369 1.00 0.00 H new ATOM 1325 N LYS A 90 15.939 2.952 -2.739 1.00 0.00 N ATOM 1326 CA LYS A 90 17.295 3.478 -2.635 1.00 0.00 C ATOM 1327 C LYS A 90 17.959 3.547 -4.006 1.00 0.00 C ATOM 1328 O LYS A 90 18.771 4.433 -4.270 1.00 0.00 O ATOM 1329 CB LYS A 90 18.131 2.608 -1.694 1.00 0.00 C ATOM 1330 CG LYS A 90 17.742 2.743 -0.233 1.00 0.00 C ATOM 1331 CD LYS A 90 18.373 1.652 0.616 1.00 0.00 C ATOM 1332 CE LYS A 90 18.146 1.899 2.100 1.00 0.00 C ATOM 1333 NZ LYS A 90 18.983 1.004 2.946 1.00 0.00 N ATOM 0 H LYS A 90 15.865 1.945 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 90 17.236 4.488 -2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 90 18.031 1.565 -1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.182 2.872 -1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.053 3.720 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.657 2.697 -0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.953 0.685 0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.443 1.605 0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 90 18.375 2.939 2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 90 17.094 1.743 2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 18.799 1.204 3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 18.747 0.012 2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.988 1.170 2.738 1.00 0.00 H new ATOM 1347 N ALA A 91 17.606 2.606 -4.877 1.00 0.00 N ATOM 1348 CA ALA A 91 18.166 2.562 -6.222 1.00 0.00 C ATOM 1349 C ALA A 91 17.461 3.553 -7.142 1.00 0.00 C ATOM 1350 O ALA A 91 17.981 3.914 -8.198 1.00 0.00 O ATOM 1351 CB ALA A 91 18.069 1.153 -6.788 1.00 0.00 C ATOM 0 H ALA A 91 16.935 1.865 -4.675 1.00 0.00 H new ATOM 0 HA ALA A 91 19.217 2.846 -6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.491 1.135 -7.793 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.623 0.465 -6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 91 17.023 0.848 -6.828 1.00 0.00 H new ATOM 1357 N VAL A 92 16.273 3.990 -6.735 1.00 0.00 N ATOM 1358 CA VAL A 92 15.496 4.939 -7.523 1.00 0.00 C ATOM 1359 C VAL A 92 16.220 6.276 -7.641 1.00 0.00 C ATOM 1360 O VAL A 92 16.767 6.802 -6.672 1.00 0.00 O ATOM 1361 CB VAL A 92 14.104 5.174 -6.907 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.212 6.025 -5.652 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.175 5.822 -7.923 1.00 0.00 C ATOM 0 H VAL A 92 15.828 3.702 -5.864 1.00 0.00 H new ATOM 0 HA VAL A 92 15.376 4.504 -8.515 1.00 0.00 H new ATOM 0 HB VAL A 92 13.682 4.209 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.219 6.180 -5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.841 5.517 -4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.654 6.989 -5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.196 5.981 -7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.590 6.780 -8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 92 13.073 5.170 -8.790 1.00 0.00 H new ATOM 1373 N PRO A 93 16.223 6.842 -8.857 1.00 0.00 N ATOM 1374 CA PRO A 93 16.875 8.126 -9.132 1.00 0.00 C ATOM 1375 C PRO A 93 16.145 9.297 -8.482 1.00 0.00 C ATOM 1376 O PRO A 93 14.952 9.229 -8.186 1.00 0.00 O ATOM 1377 CB PRO A 93 16.812 8.237 -10.657 1.00 0.00 C ATOM 1378 CG PRO A 93 15.643 7.401 -11.050 1.00 0.00 C ATOM 1379 CD PRO A 93 15.590 6.271 -10.059 1.00 0.00 C ATOM 0 HA PRO A 93 17.888 8.163 -8.730 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.683 9.272 -10.974 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.731 7.875 -11.119 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.722 7.983 -11.028 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.757 7.024 -12.066 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.565 5.956 -9.863 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.129 5.395 -10.419 1.00 0.00 H new ATOM 1387 N PRO A 94 16.877 10.397 -8.253 1.00 0.00 N ATOM 1388 CA PRO A 94 16.319 11.605 -7.636 1.00 0.00 C ATOM 1389 C PRO A 94 15.341 12.327 -8.557 1.00 0.00 C ATOM 1390 O PRO A 94 15.205 11.980 -9.729 1.00 0.00 O ATOM 1391 CB PRO A 94 17.552 12.474 -7.379 1.00 0.00 C ATOM 1392 CG PRO A 94 18.553 12.019 -8.385 1.00 0.00 C ATOM 1393 CD PRO A 94 18.304 10.549 -8.580 1.00 0.00 C ATOM 0 HA PRO A 94 15.747 11.376 -6.737 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.322 13.533 -7.500 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.924 12.343 -6.363 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.438 12.562 -9.323 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.569 12.200 -8.034 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.517 10.238 -9.603 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.933 9.945 -7.926 1.00 0.00 H new ATOM 1401 N GLY A 95 14.660 13.333 -8.017 1.00 0.00 N ATOM 1402 CA GLY A 95 13.703 14.089 -8.804 1.00 0.00 C ATOM 1403 C GLY A 95 12.273 13.655 -8.551 1.00 0.00 C ATOM 1404 O GLY A 95 11.963 13.097 -7.497 1.00 0.00 O ATOM 0 H GLY A 95 14.754 13.638 -7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.804 15.149 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.934 13.970 -9.863 1.00 0.00 H new ATOM 1408 N LEU A 96 11.398 13.912 -9.517 1.00 0.00 N ATOM 1409 CA LEU A 96 9.992 13.546 -9.393 1.00 0.00 C ATOM 1410 C LEU A 96 9.837 12.043 -9.179 1.00 0.00 C ATOM 1411 O LEU A 96 10.425 11.239 -9.903 1.00 0.00 O ATOM 1412 CB LEU A 96 9.220 13.976 -10.642 1.00 0.00 C ATOM 1413 CG LEU A 96 7.697 14.000 -10.515 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.132 12.591 -10.612 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.281 14.655 -9.207 1.00 0.00 C ATOM 0 H LEU A 96 11.638 14.373 -10.395 1.00 0.00 H new ATOM 0 HA LEU A 96 9.583 14.063 -8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.556 14.973 -10.927 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.486 13.304 -11.458 1.00 0.00 H new ATOM 0 HG LEU A 96 7.292 14.590 -11.337 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.047 12.627 -10.520 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.400 12.157 -11.575 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.544 11.978 -9.811 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.193 14.663 -9.134 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.697 14.093 -8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.654 15.679 -9.178 1.00 0.00 H new ATOM 1427 N VAL A 97 9.041 11.672 -8.182 1.00 0.00 N ATOM 1428 CA VAL A 97 8.805 10.266 -7.875 1.00 0.00 C ATOM 1429 C VAL A 97 7.326 9.918 -7.992 1.00 0.00 C ATOM 1430 O VAL A 97 6.523 10.271 -7.127 1.00 0.00 O ATOM 1431 CB VAL A 97 9.294 9.912 -6.458 1.00 0.00 C ATOM 1432 CG1 VAL A 97 8.990 8.457 -6.136 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.782 10.198 -6.321 1.00 0.00 C ATOM 0 H VAL A 97 8.548 12.325 -7.573 1.00 0.00 H new ATOM 0 HA VAL A 97 9.370 9.684 -8.603 1.00 0.00 H new ATOM 0 HB VAL A 97 8.760 10.536 -5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.343 8.225 -5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.914 8.289 -6.191 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.495 7.812 -6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.110 9.942 -5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.335 9.601 -7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.968 11.256 -6.505 1.00 0.00 H new ATOM 1443 N HIS A 98 6.971 9.222 -9.067 1.00 0.00 N ATOM 1444 CA HIS A 98 5.586 8.824 -9.298 1.00 0.00 C ATOM 1445 C HIS A 98 5.322 7.429 -8.740 1.00 0.00 C ATOM 1446 O HIS A 98 5.629 6.424 -9.381 1.00 0.00 O ATOM 1447 CB HIS A 98 5.266 8.857 -10.793 1.00 0.00 C ATOM 1448 CG HIS A 98 4.912 10.222 -11.299 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.504 10.790 -12.407 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.019 11.131 -10.843 1.00 0.00 C ATOM 1451 CE1 HIS A 98 4.992 11.991 -12.610 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.088 12.222 -11.675 1.00 0.00 N ATOM 0 H HIS A 98 7.623 8.922 -9.792 1.00 0.00 H new ATOM 0 HA HIS A 98 4.939 9.532 -8.780 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.126 8.484 -11.349 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.438 8.178 -10.994 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.373 11.019 -9.985 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.266 12.669 -13.405 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.532 13.072 -11.585 1.00 0.00 H new ATOM 1461 N LEU A 99 4.751 7.375 -7.541 1.00 0.00 N ATOM 1462 CA LEU A 99 4.446 6.103 -6.896 1.00 0.00 C ATOM 1463 C LEU A 99 2.975 6.034 -6.498 1.00 0.00 C ATOM 1464 O LEU A 99 2.419 6.994 -5.967 1.00 0.00 O ATOM 1465 CB LEU A 99 5.329 5.910 -5.662 1.00 0.00 C ATOM 1466 CG LEU A 99 5.249 7.007 -4.600 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.076 6.760 -3.664 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.551 7.087 -3.817 1.00 0.00 C ATOM 0 H LEU A 99 4.490 8.197 -6.997 1.00 0.00 H new ATOM 0 HA LEU A 99 4.649 5.304 -7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.064 4.961 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.365 5.826 -5.991 1.00 0.00 H new ATOM 0 HG LEU A 99 5.091 7.961 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.035 7.551 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.149 6.754 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.202 5.797 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.476 7.873 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.739 6.132 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.372 7.313 -4.498 1.00 0.00 H new ATOM 1480 N GLY A 100 2.350 4.889 -6.757 1.00 0.00 N ATOM 1481 CA GLY A 100 0.950 4.715 -6.417 1.00 0.00 C ATOM 1482 C GLY A 100 0.753 4.263 -4.984 1.00 0.00 C ATOM 1483 O GLY A 100 1.512 3.436 -4.477 1.00 0.00 O ATOM 0 H GLY A 100 2.788 4.079 -7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.422 5.655 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.504 3.983 -7.090 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.266 4.808 -4.328 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.559 4.456 -2.945 1.00 0.00 C ATOM 1489 C ILE A 101 -1.964 3.877 -2.811 1.00 0.00 C ATOM 1490 O ILE A 101 -2.829 4.119 -3.653 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.429 5.676 -2.014 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.932 6.349 -2.207 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.617 5.258 -0.563 1.00 0.00 C ATOM 1494 CD1 ILE A 101 2.101 5.474 -1.814 1.00 0.00 C ATOM 0 H ILE A 101 -0.902 5.495 -4.732 1.00 0.00 H new ATOM 0 HA ILE A 101 0.172 3.703 -2.649 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.209 6.394 -2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.040 6.638 -3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.961 7.266 -1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.522 6.131 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.606 4.819 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.143 4.524 -0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.032 6.016 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.017 5.206 -0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.097 4.568 -2.420 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.183 3.113 -1.746 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.483 2.499 -1.500 1.00 0.00 C ATOM 1508 C CYS A 102 -4.020 2.894 -0.129 1.00 0.00 C ATOM 1509 O CYS A 102 -3.450 2.530 0.900 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.379 0.977 -1.602 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.657 0.327 -3.267 1.00 0.00 S ATOM 0 H CYS A 102 -1.477 2.904 -1.040 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.177 2.860 -2.259 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.390 0.668 -1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.103 0.528 -0.923 1.00 0.00 H new ATOM 0 HG CYS A 102 -3.546 -0.968 -3.251 1.00 0.00 H new ATOM 1517 N SER A 103 -5.119 3.641 -0.122 1.00 0.00 N ATOM 1518 CA SER A 103 -5.730 4.090 1.124 1.00 0.00 C ATOM 1519 C SER A 103 -6.080 2.903 2.016 1.00 0.00 C ATOM 1520 O SER A 103 -6.990 2.132 1.715 1.00 0.00 O ATOM 1521 CB SER A 103 -6.988 4.912 0.832 1.00 0.00 C ATOM 1522 OG SER A 103 -6.656 6.170 0.273 1.00 0.00 O ATOM 0 H SER A 103 -5.605 3.948 -0.965 1.00 0.00 H new ATOM 0 HA SER A 103 -5.009 4.716 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.633 4.364 0.145 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.553 5.057 1.753 1.00 0.00 H new ATOM 0 HG SER A 103 -7.476 6.675 0.094 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.349 2.763 3.118 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.596 1.669 4.038 1.00 0.00 C ATOM 1530 C GLY A 104 -5.928 2.150 5.437 1.00 0.00 C ATOM 1531 O GLY A 104 -6.514 3.217 5.626 1.00 0.00 O ATOM 0 H GLY A 104 -4.590 3.388 3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.419 1.061 3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.717 1.026 4.077 1.00 0.00 H new