USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 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+ -146:sc= -0.263 (180deg=-1.64) USER MOD Single : A 23 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.18) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 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= -1.28 K(o=-1.3,f=-0.042) USER MOD Single : A 42 THR OG1 : rot 17:sc= 1.17 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 44:sc= 1.23 USER MOD Single : A 60 SER OG : rot -57:sc= -1.16! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -4.17! C(o=-4.2!,f=-9!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 47:sc= -0.26 USER MOD Single : A 79 ASN : amide:sc= 0.353 K(o=0.35,f=-1.9!) USER MOD Single : A 80 THR OG1 : rot -130:sc= -0.839 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00423) USER MOD Single : A 98 HIS : no HD1:sc= -3.07! C(o=-3.1!,f=-5.8!) 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 -7.858 -2.345 2.188 1.00 0.00 N ATOM 130 CA TRP A 12 -7.466 -1.275 1.278 1.00 0.00 C ATOM 131 C TRP A 12 -8.551 -1.022 0.236 1.00 0.00 C ATOM 132 O TRP A 12 -9.567 -1.716 0.203 1.00 0.00 O ATOM 133 CB TRP A 12 -6.148 -1.623 0.585 1.00 0.00 C ATOM 134 CG TRP A 12 -5.024 -1.883 1.543 1.00 0.00 C ATOM 135 CD1 TRP A 12 -4.390 -0.965 2.330 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.402 -3.144 1.812 1.00 0.00 C ATOM 137 NE1 TRP A 12 -3.411 -1.579 3.073 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.398 -2.916 2.774 1.00 0.00 C ATOM 139 CE3 TRP A 12 -4.596 -4.443 1.336 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.593 -3.940 3.265 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -3.796 -5.458 1.824 1.00 0.00 C ATOM 142 CH2 TRP A 12 -2.805 -5.202 2.781 1.00 0.00 C ATOM 0 HA TRP A 12 -7.331 -0.366 1.864 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.295 -2.505 -0.039 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.868 -0.805 -0.079 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.624 0.089 2.364 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.794 -1.115 3.739 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.358 -4.650 0.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.828 -3.745 4.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.937 -6.466 1.462 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.196 -6.017 3.144 1.00 0.00 H new ATOM 153 N SER A 13 -8.328 -0.025 -0.614 1.00 0.00 N ATOM 154 CA SER A 13 -9.288 0.321 -1.656 1.00 0.00 C ATOM 155 C SER A 13 -8.761 -0.069 -3.033 1.00 0.00 C ATOM 156 O SER A 13 -7.564 0.009 -3.313 1.00 0.00 O ATOM 157 CB SER A 13 -9.594 1.820 -1.620 1.00 0.00 C ATOM 158 OG SER A 13 -10.691 2.096 -0.767 1.00 0.00 O ATOM 0 H SER A 13 -7.491 0.558 -0.602 1.00 0.00 H new ATOM 0 HA SER A 13 -10.206 -0.235 -1.468 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.715 2.366 -1.276 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.814 2.174 -2.627 1.00 0.00 H new ATOM 0 HG SER A 13 -10.865 3.060 -0.760 1.00 0.00 H new ATOM 164 N PRO A 14 -9.674 -0.500 -3.915 1.00 0.00 N ATOM 165 CA PRO A 14 -9.326 -0.911 -5.279 1.00 0.00 C ATOM 166 C PRO A 14 -8.899 0.267 -6.148 1.00 0.00 C ATOM 167 O PRO A 14 -8.621 0.104 -7.335 1.00 0.00 O ATOM 168 CB PRO A 14 -10.626 -1.523 -5.808 1.00 0.00 C ATOM 169 CG PRO A 14 -11.703 -0.870 -5.013 1.00 0.00 C ATOM 170 CD PRO A 14 -11.118 -0.619 -3.650 1.00 0.00 C ATOM 0 HA PRO A 14 -8.479 -1.597 -5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.749 -1.331 -6.874 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.637 -2.605 -5.676 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.021 0.063 -5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.583 -1.510 -4.948 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.520 0.289 -3.201 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.334 -1.437 -2.963 1.00 0.00 H new ATOM 178 N GLU A 15 -8.848 1.452 -5.547 1.00 0.00 N ATOM 179 CA GLU A 15 -8.455 2.657 -6.269 1.00 0.00 C ATOM 180 C GLU A 15 -7.112 3.178 -5.765 1.00 0.00 C ATOM 181 O GLU A 15 -7.009 3.679 -4.645 1.00 0.00 O ATOM 182 CB GLU A 15 -9.525 3.740 -6.118 1.00 0.00 C ATOM 183 CG GLU A 15 -9.516 4.419 -4.758 1.00 0.00 C ATOM 184 CD GLU A 15 -10.883 4.937 -4.356 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.885 4.250 -4.643 1.00 0.00 O ATOM 186 OE2 GLU A 15 -10.951 6.029 -3.754 1.00 0.00 O ATOM 0 H GLU A 15 -9.073 1.603 -4.564 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.354 2.402 -7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.379 4.494 -6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.506 3.296 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.163 3.713 -4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.808 5.248 -4.774 1.00 0.00 H new ATOM 193 N VAL A 16 -6.086 3.056 -6.600 1.00 0.00 N ATOM 194 CA VAL A 16 -4.749 3.516 -6.241 1.00 0.00 C ATOM 195 C VAL A 16 -4.577 4.999 -6.547 1.00 0.00 C ATOM 196 O VAL A 16 -5.254 5.548 -7.416 1.00 0.00 O ATOM 197 CB VAL A 16 -3.663 2.720 -6.989 1.00 0.00 C ATOM 198 CG1 VAL A 16 -3.897 2.776 -8.491 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.280 3.246 -6.636 1.00 0.00 C ATOM 0 H VAL A 16 -6.154 2.643 -7.530 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.636 3.354 -5.169 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.721 1.677 -6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.120 2.208 -9.002 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.872 2.347 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.868 3.813 -8.825 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.525 2.672 -7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.207 4.296 -6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.116 3.147 -5.563 1.00 0.00 H new ATOM 209 N LYS A 17 -3.666 5.644 -5.826 1.00 0.00 N ATOM 210 CA LYS A 17 -3.402 7.065 -6.020 1.00 0.00 C ATOM 211 C LYS A 17 -1.928 7.308 -6.328 1.00 0.00 C ATOM 212 O LYS A 17 -1.048 6.812 -5.623 1.00 0.00 O ATOM 213 CB LYS A 17 -3.811 7.855 -4.775 1.00 0.00 C ATOM 214 CG LYS A 17 -3.351 7.221 -3.473 1.00 0.00 C ATOM 215 CD LYS A 17 -3.083 8.268 -2.406 1.00 0.00 C ATOM 216 CE LYS A 17 -4.372 8.735 -1.747 1.00 0.00 C ATOM 217 NZ LYS A 17 -5.164 9.622 -2.643 1.00 0.00 N ATOM 0 H LYS A 17 -3.098 5.205 -5.102 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.993 7.406 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.401 8.863 -4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.896 7.953 -4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.111 6.525 -3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.445 6.641 -3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.415 7.856 -1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.571 9.121 -2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.973 7.869 -1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.136 9.267 -0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.655 10.341 -2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.527 10.091 -3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.863 9.055 -3.163 1.00 0.00 H new ATOM 231 N ILE A 18 -1.667 8.073 -7.382 1.00 0.00 N ATOM 232 CA ILE A 18 -0.299 8.383 -7.780 1.00 0.00 C ATOM 233 C ILE A 18 0.177 9.685 -7.145 1.00 0.00 C ATOM 234 O ILE A 18 -0.223 10.773 -7.559 1.00 0.00 O ATOM 235 CB ILE A 18 -0.170 8.494 -9.311 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.620 7.193 -9.978 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.263 8.827 -9.699 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.273 6.013 -9.665 1.00 0.00 C ATOM 0 H ILE A 18 -2.384 8.490 -7.976 1.00 0.00 H new ATOM 0 HA ILE A 18 0.326 7.561 -7.429 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.816 9.300 -9.658 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.637 6.963 -9.659 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.650 7.339 -11.058 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.338 8.902 -10.784 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.550 9.777 -9.249 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.928 8.041 -9.343 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.106 5.125 -10.171 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.286 6.222 -10.009 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.284 5.840 -8.589 1.00 0.00 H new ATOM 250 N VAL A 19 1.035 9.566 -6.137 1.00 0.00 N ATOM 251 CA VAL A 19 1.569 10.733 -5.446 1.00 0.00 C ATOM 252 C VAL A 19 2.925 11.136 -6.015 1.00 0.00 C ATOM 253 O VAL A 19 3.811 10.300 -6.184 1.00 0.00 O ATOM 254 CB VAL A 19 1.716 10.473 -3.935 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.372 11.661 -3.249 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.361 10.169 -3.314 1.00 0.00 C ATOM 0 H VAL A 19 1.375 8.673 -5.781 1.00 0.00 H new ATOM 0 HA VAL A 19 0.858 11.544 -5.600 1.00 0.00 H new ATOM 0 HB VAL A 19 2.359 9.604 -3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.467 11.458 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.361 11.827 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.759 12.550 -3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.483 9.988 -2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.307 11.017 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.065 9.284 -3.786 1.00 0.00 H new ATOM 266 N GLU A 20 3.079 12.424 -6.307 1.00 0.00 N ATOM 267 CA GLU A 20 4.328 12.938 -6.858 1.00 0.00 C ATOM 268 C GLU A 20 5.270 13.384 -5.744 1.00 0.00 C ATOM 269 O GLU A 20 5.065 14.428 -5.122 1.00 0.00 O ATOM 270 CB GLU A 20 4.051 14.106 -7.805 1.00 0.00 C ATOM 271 CG GLU A 20 3.727 13.675 -9.226 1.00 0.00 C ATOM 272 CD GLU A 20 2.257 13.353 -9.417 1.00 0.00 C ATOM 273 OE1 GLU A 20 1.444 13.771 -8.566 1.00 0.00 O ATOM 274 OE2 GLU A 20 1.921 12.684 -10.416 1.00 0.00 O ATOM 0 H GLU A 20 2.355 13.130 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 20 4.808 12.134 -7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.219 14.691 -7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.921 14.762 -7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.014 14.468 -9.917 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.323 12.799 -9.481 1.00 0.00 H new ATOM 281 N LEU A 21 6.304 12.587 -5.496 1.00 0.00 N ATOM 282 CA LEU A 21 7.279 12.899 -4.457 1.00 0.00 C ATOM 283 C LEU A 21 8.601 13.350 -5.068 1.00 0.00 C ATOM 284 O LEU A 21 9.165 12.670 -5.925 1.00 0.00 O ATOM 285 CB LEU A 21 7.507 11.680 -3.562 1.00 0.00 C ATOM 286 CG LEU A 21 6.448 11.427 -2.488 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.979 10.473 -1.429 1.00 0.00 C ATOM 288 CD2 LEU A 21 6.008 12.738 -1.855 1.00 0.00 C ATOM 0 H LEU A 21 6.489 11.720 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 21 6.882 13.716 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.571 10.796 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.474 11.791 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 21 5.581 10.966 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.212 10.305 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.244 9.524 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.862 10.906 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.254 12.539 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.867 13.227 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.587 13.389 -2.621 1.00 0.00 H new ATOM 300 N VAL A 22 9.092 14.502 -4.621 1.00 0.00 N ATOM 301 CA VAL A 22 10.350 15.043 -5.121 1.00 0.00 C ATOM 302 C VAL A 22 11.520 14.618 -4.241 1.00 0.00 C ATOM 303 O VAL A 22 11.727 15.165 -3.157 1.00 0.00 O ATOM 304 CB VAL A 22 10.310 16.581 -5.195 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.667 17.131 -5.607 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.225 17.039 -6.159 1.00 0.00 C ATOM 0 H VAL A 22 8.637 15.079 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 22 10.490 14.642 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 22 10.073 16.970 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.620 18.219 -5.654 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.418 16.832 -4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.937 16.737 -6.587 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.210 18.128 -6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.430 16.642 -7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.256 16.676 -5.816 1.00 0.00 H new ATOM 316 N LYS A 23 12.284 13.639 -4.713 1.00 0.00 N ATOM 317 CA LYS A 23 13.436 13.140 -3.971 1.00 0.00 C ATOM 318 C LYS A 23 14.585 14.142 -4.013 1.00 0.00 C ATOM 319 O LYS A 23 14.651 14.989 -4.904 1.00 0.00 O ATOM 320 CB LYS A 23 13.894 11.797 -4.543 1.00 0.00 C ATOM 321 CG LYS A 23 15.252 11.349 -4.030 1.00 0.00 C ATOM 322 CD LYS A 23 15.549 9.911 -4.421 1.00 0.00 C ATOM 323 CE LYS A 23 17.043 9.673 -4.576 1.00 0.00 C ATOM 324 NZ LYS A 23 17.387 8.227 -4.478 1.00 0.00 N ATOM 0 H LYS A 23 12.126 13.175 -5.607 1.00 0.00 H new ATOM 0 HA LYS A 23 13.136 13.002 -2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.153 11.036 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.931 11.868 -5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.027 12.003 -4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.282 11.446 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.149 9.237 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.043 9.675 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.375 10.061 -5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.581 10.227 -3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.419 8.111 -4.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.048 7.850 -3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.935 7.709 -5.258 1.00 0.00 H new ATOM 338 N ASP A 24 15.490 14.038 -3.046 1.00 0.00 N ATOM 339 CA ASP A 24 16.639 14.933 -2.975 1.00 0.00 C ATOM 340 C ASP A 24 17.940 14.141 -2.885 1.00 0.00 C ATOM 341 O ASP A 24 17.932 12.910 -2.918 1.00 0.00 O ATOM 342 CB ASP A 24 16.511 15.866 -1.769 1.00 0.00 C ATOM 343 CG ASP A 24 15.300 16.772 -1.865 1.00 0.00 C ATOM 344 OD1 ASP A 24 14.371 16.443 -2.632 1.00 0.00 O ATOM 345 OD2 ASP A 24 15.281 17.811 -1.171 1.00 0.00 O ATOM 0 H ASP A 24 15.450 13.343 -2.301 1.00 0.00 H new ATOM 0 HA ASP A 24 16.661 15.530 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.445 15.271 -0.858 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.411 16.475 -1.687 1.00 0.00 H new ATOM 350 N CYS A 25 19.054 14.855 -2.773 1.00 0.00 N ATOM 351 CA CYS A 25 20.364 14.219 -2.681 1.00 0.00 C ATOM 352 C CYS A 25 20.330 13.042 -1.712 1.00 0.00 C ATOM 353 O CYS A 25 20.737 11.931 -2.052 1.00 0.00 O ATOM 354 CB CYS A 25 21.416 15.234 -2.233 1.00 0.00 C ATOM 355 SG CYS A 25 22.026 16.300 -3.560 1.00 0.00 S ATOM 0 H CYS A 25 19.077 15.874 -2.744 1.00 0.00 H new ATOM 0 HA CYS A 25 20.629 13.844 -3.670 1.00 0.00 H new ATOM 0 HB2 CYS A 25 20.991 15.858 -1.447 1.00 0.00 H new ATOM 0 HB3 CYS A 25 22.259 14.699 -1.795 1.00 0.00 H new ATOM 0 HG CYS A 25 22.909 17.125 -3.082 1.00 0.00 H new ATOM 361 N LYS A 26 19.843 13.293 -0.501 1.00 0.00 N ATOM 362 CA LYS A 26 19.755 12.256 0.519 1.00 0.00 C ATOM 363 C LYS A 26 18.816 11.137 0.079 1.00 0.00 C ATOM 364 O LYS A 26 19.161 9.959 0.155 1.00 0.00 O ATOM 365 CB LYS A 26 19.269 12.852 1.842 1.00 0.00 C ATOM 366 CG LYS A 26 17.910 13.523 1.744 1.00 0.00 C ATOM 367 CD LYS A 26 17.644 14.421 2.940 1.00 0.00 C ATOM 368 CE LYS A 26 18.323 15.774 2.784 1.00 0.00 C ATOM 369 NZ LYS A 26 18.637 16.392 4.102 1.00 0.00 N ATOM 0 H LYS A 26 19.503 14.207 -0.203 1.00 0.00 H new ATOM 0 HA LYS A 26 20.751 11.836 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.221 12.062 2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 26 20.000 13.580 2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.859 14.111 0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.132 12.763 1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.570 14.563 3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.002 13.935 3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.242 15.655 2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.676 16.442 2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.099 17.312 3.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.757 16.529 4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.275 15.767 4.635 1.00 0.00 H new ATOM 383 N GLY A 27 17.628 11.515 -0.384 1.00 0.00 N ATOM 384 CA GLY A 27 16.659 10.532 -0.831 1.00 0.00 C ATOM 385 C GLY A 27 15.244 10.883 -0.417 1.00 0.00 C ATOM 386 O GLY A 27 14.842 12.046 -0.474 1.00 0.00 O ATOM 0 H GLY A 27 17.320 12.485 -0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.706 10.447 -1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.922 9.556 -0.424 1.00 0.00 H new ATOM 390 N LEU A 28 14.484 9.876 0.000 1.00 0.00 N ATOM 391 CA LEU A 28 13.104 10.083 0.424 1.00 0.00 C ATOM 392 C LEU A 28 13.031 10.368 1.921 1.00 0.00 C ATOM 393 O LEU A 28 14.056 10.477 2.593 1.00 0.00 O ATOM 394 CB LEU A 28 12.256 8.856 0.085 1.00 0.00 C ATOM 395 CG LEU A 28 11.948 8.642 -1.397 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.532 9.950 -2.050 1.00 0.00 C ATOM 397 CD2 LEU A 28 13.152 8.046 -2.111 1.00 0.00 C ATOM 0 H LEU A 28 14.801 8.908 0.053 1.00 0.00 H new ATOM 0 HA LEU A 28 12.711 10.948 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.768 7.970 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.312 8.931 0.625 1.00 0.00 H new ATOM 0 HG LEU A 28 11.118 7.940 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.317 9.778 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.640 10.336 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.340 10.676 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.915 7.900 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.001 8.724 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.404 7.086 -1.660 1.00 0.00 H new ATOM 409 N GLY A 29 11.812 10.485 2.437 1.00 0.00 N ATOM 410 CA GLY A 29 11.628 10.754 3.852 1.00 0.00 C ATOM 411 C GLY A 29 10.612 9.828 4.491 1.00 0.00 C ATOM 412 O GLY A 29 9.944 10.198 5.456 1.00 0.00 O ATOM 0 H GLY A 29 10.948 10.398 1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.584 10.650 4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.307 11.787 3.983 1.00 0.00 H new ATOM 416 N PHE A 30 10.494 8.620 3.950 1.00 0.00 N ATOM 417 CA PHE A 30 9.550 7.638 4.472 1.00 0.00 C ATOM 418 C PHE A 30 10.172 6.245 4.497 1.00 0.00 C ATOM 419 O PHE A 30 11.276 6.037 3.992 1.00 0.00 O ATOM 420 CB PHE A 30 8.275 7.624 3.626 1.00 0.00 C ATOM 421 CG PHE A 30 8.525 7.359 2.169 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.886 8.390 1.316 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.401 6.080 1.653 1.00 0.00 C ATOM 424 CE1 PHE A 30 9.116 8.148 -0.025 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.630 5.832 0.312 1.00 0.00 C ATOM 426 CZ PHE A 30 8.989 6.868 -0.528 1.00 0.00 C ATOM 0 H PHE A 30 11.040 8.297 3.151 1.00 0.00 H new ATOM 0 HA PHE A 30 9.297 7.922 5.493 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.599 6.862 4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.768 8.583 3.731 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.989 9.393 1.703 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.122 5.266 2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.395 8.960 -0.680 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.528 4.830 -0.078 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.170 6.678 -1.576 1.00 0.00 H new ATOM 436 N SER A 31 9.456 5.294 5.088 1.00 0.00 N ATOM 437 CA SER A 31 9.939 3.921 5.183 1.00 0.00 C ATOM 438 C SER A 31 8.856 2.934 4.757 1.00 0.00 C ATOM 439 O SER A 31 7.713 3.319 4.508 1.00 0.00 O ATOM 440 CB SER A 31 10.391 3.615 6.612 1.00 0.00 C ATOM 441 OG SER A 31 11.721 4.050 6.830 1.00 0.00 O ATOM 0 H SER A 31 8.540 5.449 5.508 1.00 0.00 H new ATOM 0 HA SER A 31 10.790 3.813 4.510 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.724 4.106 7.321 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.321 2.543 6.797 1.00 0.00 H new ATOM 0 HG SER A 31 11.986 3.845 7.751 1.00 0.00 H new ATOM 447 N ILE A 32 9.225 1.660 4.677 1.00 0.00 N ATOM 448 CA ILE A 32 8.286 0.617 4.282 1.00 0.00 C ATOM 449 C ILE A 32 8.579 -0.690 5.011 1.00 0.00 C ATOM 450 O ILE A 32 9.695 -0.915 5.482 1.00 0.00 O ATOM 451 CB ILE A 32 8.329 0.366 2.763 1.00 0.00 C ATOM 452 CG1 ILE A 32 9.765 0.474 2.247 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.424 1.351 2.038 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.026 -0.357 1.010 1.00 0.00 C ATOM 0 H ILE A 32 10.167 1.325 4.880 1.00 0.00 H new ATOM 0 HA ILE A 32 7.291 0.968 4.555 1.00 0.00 H new ATOM 0 HB ILE A 32 7.967 -0.643 2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.986 1.518 2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.450 0.163 3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.465 1.161 0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.399 1.230 2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.759 2.369 2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.064 -0.232 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.837 -1.408 1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.366 -0.031 0.207 1.00 0.00 H new ATOM 466 N LEU A 33 7.571 -1.551 5.098 1.00 0.00 N ATOM 467 CA LEU A 33 7.720 -2.839 5.767 1.00 0.00 C ATOM 468 C LEU A 33 6.966 -3.933 5.018 1.00 0.00 C ATOM 469 O LEU A 33 6.238 -3.657 4.064 1.00 0.00 O ATOM 470 CB LEU A 33 7.213 -2.749 7.207 1.00 0.00 C ATOM 471 CG LEU A 33 5.735 -3.079 7.420 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.437 -3.262 8.900 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.855 -1.988 6.829 1.00 0.00 C ATOM 0 H LEU A 33 6.642 -1.381 4.714 1.00 0.00 H new ATOM 0 HA LEU A 33 8.779 -3.095 5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.808 -3.423 7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.395 -1.739 7.573 1.00 0.00 H new ATOM 0 HG LEU A 33 5.514 -4.015 6.907 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.381 -3.496 9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 33 6.042 -4.078 9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.675 -2.343 9.435 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.807 -2.239 6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.079 -1.038 7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.048 -1.904 5.760 1.00 0.00 H new ATOM 485 N ASP A 34 7.144 -5.174 5.457 1.00 0.00 N ATOM 486 CA ASP A 34 6.478 -6.310 4.830 1.00 0.00 C ATOM 487 C ASP A 34 5.233 -6.711 5.615 1.00 0.00 C ATOM 488 O ASP A 34 5.292 -6.918 6.827 1.00 0.00 O ATOM 489 CB ASP A 34 7.437 -7.497 4.728 1.00 0.00 C ATOM 490 CG ASP A 34 7.689 -8.155 6.070 1.00 0.00 C ATOM 491 OD1 ASP A 34 8.594 -7.692 6.796 1.00 0.00 O ATOM 492 OD2 ASP A 34 6.983 -9.132 6.395 1.00 0.00 O ATOM 0 H ASP A 34 7.744 -5.419 6.245 1.00 0.00 H new ATOM 0 HA ASP A 34 6.172 -6.013 3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.027 -8.233 4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.385 -7.160 4.308 1.00 0.00 H new ATOM 497 N TYR A 35 4.109 -6.817 4.916 1.00 0.00 N ATOM 498 CA TYR A 35 2.849 -7.190 5.549 1.00 0.00 C ATOM 499 C TYR A 35 2.351 -8.533 5.022 1.00 0.00 C ATOM 500 O TYR A 35 2.752 -8.976 3.946 1.00 0.00 O ATOM 501 CB TYR A 35 1.793 -6.111 5.305 1.00 0.00 C ATOM 502 CG TYR A 35 0.748 -6.028 6.395 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.338 -6.895 6.410 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.846 -5.083 7.408 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.295 -6.824 7.403 1.00 0.00 C ATOM 506 CE2 TYR A 35 -0.106 -5.005 8.406 1.00 0.00 C ATOM 507 CZ TYR A 35 -1.175 -5.877 8.399 1.00 0.00 C ATOM 508 OH TYR A 35 -2.126 -5.802 9.391 1.00 0.00 O ATOM 0 H TYR A 35 4.044 -6.650 3.912 1.00 0.00 H new ATOM 0 HA TYR A 35 3.024 -7.283 6.621 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.288 -5.144 5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.299 -6.307 4.354 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.435 -7.637 5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.681 -4.398 7.416 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.133 -7.506 7.400 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.014 -4.265 9.188 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.892 -5.083 10.014 1.00 0.00 H new ATOM 518 N GLN A 36 1.474 -9.173 5.788 1.00 0.00 N ATOM 519 CA GLN A 36 0.921 -10.465 5.399 1.00 0.00 C ATOM 520 C GLN A 36 -0.598 -10.470 5.538 1.00 0.00 C ATOM 521 O GLN A 36 -1.131 -10.347 6.641 1.00 0.00 O ATOM 522 CB GLN A 36 1.527 -11.580 6.252 1.00 0.00 C ATOM 523 CG GLN A 36 2.777 -12.197 5.648 1.00 0.00 C ATOM 524 CD GLN A 36 3.079 -13.573 6.208 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.192 -13.841 6.662 1.00 0.00 O ATOM 526 NE2 GLN A 36 2.086 -14.455 6.181 1.00 0.00 N ATOM 0 H GLN A 36 1.131 -8.819 6.681 1.00 0.00 H new ATOM 0 HA GLN A 36 1.173 -10.640 4.353 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.768 -11.182 7.237 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.781 -12.361 6.398 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.657 -12.268 4.567 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.627 -11.540 5.832 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.179 -14.191 5.796 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.230 -15.397 6.546 1.00 0.00 H new ATOM 535 N ASP A 37 -1.289 -10.615 4.413 1.00 0.00 N ATOM 536 CA ASP A 37 -2.747 -10.637 4.408 1.00 0.00 C ATOM 537 C ASP A 37 -3.280 -11.553 5.506 1.00 0.00 C ATOM 538 O ASP A 37 -2.769 -12.650 5.735 1.00 0.00 O ATOM 539 CB ASP A 37 -3.268 -11.098 3.046 1.00 0.00 C ATOM 540 CG ASP A 37 -4.714 -10.705 2.815 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.601 -11.302 3.460 1.00 0.00 O ATOM 542 OD2 ASP A 37 -4.958 -9.799 1.991 1.00 0.00 O ATOM 0 H ASP A 37 -0.863 -10.719 3.492 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.101 -9.624 4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.648 -10.669 2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.173 -12.181 2.972 1.00 0.00 H new ATOM 547 N PRO A 38 -4.331 -11.095 6.202 1.00 0.00 N ATOM 548 CA PRO A 38 -4.955 -11.857 7.287 1.00 0.00 C ATOM 549 C PRO A 38 -5.703 -13.084 6.778 1.00 0.00 C ATOM 550 O PRO A 38 -5.963 -14.023 7.532 1.00 0.00 O ATOM 551 CB PRO A 38 -5.931 -10.855 7.908 1.00 0.00 C ATOM 552 CG PRO A 38 -6.242 -9.898 6.810 1.00 0.00 C ATOM 553 CD PRO A 38 -4.991 -9.797 5.982 1.00 0.00 C ATOM 0 HA PRO A 38 -4.217 -12.245 7.989 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.832 -11.351 8.268 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.485 -10.346 8.762 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.080 -10.252 6.209 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.525 -8.924 7.210 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.218 -9.635 4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.362 -8.967 6.303 1.00 0.00 H new ATOM 561 N LEU A 39 -6.047 -13.072 5.495 1.00 0.00 N ATOM 562 CA LEU A 39 -6.765 -14.185 4.884 1.00 0.00 C ATOM 563 C LEU A 39 -5.847 -14.988 3.969 1.00 0.00 C ATOM 564 O LEU A 39 -6.119 -16.150 3.665 1.00 0.00 O ATOM 565 CB LEU A 39 -7.968 -13.668 4.093 1.00 0.00 C ATOM 566 CG LEU A 39 -8.737 -12.506 4.723 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.832 -12.020 3.786 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.324 -12.919 6.064 1.00 0.00 C ATOM 0 H LEU A 39 -5.840 -12.303 4.857 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.116 -14.840 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.623 -13.357 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.661 -14.496 3.941 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.041 -11.684 4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.368 -11.193 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.387 -11.683 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.527 -12.835 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.868 -12.079 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.006 -13.757 5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.520 -13.217 6.737 1.00 0.00 H new ATOM 580 N ASP A 40 -4.759 -14.363 3.534 1.00 0.00 N ATOM 581 CA ASP A 40 -3.799 -15.021 2.655 1.00 0.00 C ATOM 582 C ASP A 40 -2.378 -14.867 3.191 1.00 0.00 C ATOM 583 O ASP A 40 -1.703 -13.866 2.949 1.00 0.00 O ATOM 584 CB ASP A 40 -3.890 -14.445 1.242 1.00 0.00 C ATOM 585 CG ASP A 40 -3.534 -15.464 0.177 1.00 0.00 C ATOM 586 OD1 ASP A 40 -2.338 -15.799 0.053 1.00 0.00 O ATOM 587 OD2 ASP A 40 -4.453 -15.926 -0.533 1.00 0.00 O ATOM 0 H ASP A 40 -4.519 -13.401 3.776 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.043 -16.083 2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.902 -14.079 1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.222 -13.588 1.158 1.00 0.00 H new ATOM 592 N PRO A 41 -1.913 -15.880 3.937 1.00 0.00 N ATOM 593 CA PRO A 41 -0.569 -15.880 4.522 1.00 0.00 C ATOM 594 C PRO A 41 0.522 -16.026 3.468 1.00 0.00 C ATOM 595 O PRO A 41 1.655 -15.583 3.665 1.00 0.00 O ATOM 596 CB PRO A 41 -0.586 -17.099 5.448 1.00 0.00 C ATOM 597 CG PRO A 41 -1.618 -18.002 4.866 1.00 0.00 C ATOM 598 CD PRO A 41 -2.663 -17.103 4.266 1.00 0.00 C ATOM 0 HA PRO A 41 -0.346 -14.943 5.032 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.390 -17.583 5.483 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.838 -16.816 6.470 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.183 -18.655 4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.050 -18.646 5.632 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.115 -17.548 3.379 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.471 -16.902 4.969 1.00 0.00 H new ATOM 606 N THR A 42 0.176 -16.650 2.346 1.00 0.00 N ATOM 607 CA THR A 42 1.126 -16.855 1.260 1.00 0.00 C ATOM 608 C THR A 42 1.271 -15.597 0.412 1.00 0.00 C ATOM 609 O THR A 42 1.938 -15.608 -0.623 1.00 0.00 O ATOM 610 CB THR A 42 0.700 -18.025 0.354 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.674 -17.880 -0.020 1.00 0.00 O ATOM 612 CG2 THR A 42 0.900 -19.357 1.061 1.00 0.00 C ATOM 0 H THR A 42 -0.756 -17.022 2.166 1.00 0.00 H new ATOM 0 HA THR A 42 2.085 -17.092 1.720 1.00 0.00 H new ATOM 0 HB THR A 42 1.323 -18.009 -0.540 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.964 -16.959 0.149 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.592 -20.169 0.402 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.952 -19.478 1.319 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.299 -19.380 1.970 1.00 0.00 H new ATOM 620 N ARG A 43 0.644 -14.513 0.856 1.00 0.00 N ATOM 621 CA ARG A 43 0.704 -13.246 0.137 1.00 0.00 C ATOM 622 C ARG A 43 1.247 -12.137 1.032 1.00 0.00 C ATOM 623 O ARG A 43 0.870 -12.027 2.199 1.00 0.00 O ATOM 624 CB ARG A 43 -0.684 -12.865 -0.382 1.00 0.00 C ATOM 625 CG ARG A 43 -1.055 -13.547 -1.689 1.00 0.00 C ATOM 626 CD ARG A 43 -2.190 -12.821 -2.394 1.00 0.00 C ATOM 627 NE ARG A 43 -2.734 -13.601 -3.502 1.00 0.00 N ATOM 628 CZ ARG A 43 -3.877 -13.311 -4.114 1.00 0.00 C ATOM 629 NH1 ARG A 43 -4.592 -12.263 -3.728 1.00 0.00 N ATOM 630 NH2 ARG A 43 -4.306 -14.068 -5.115 1.00 0.00 N ATOM 0 H ARG A 43 0.088 -14.487 1.711 1.00 0.00 H new ATOM 0 HA ARG A 43 1.380 -13.368 -0.709 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.427 -13.119 0.374 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.727 -11.785 -0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.183 -13.583 -2.342 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.348 -14.578 -1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.983 -12.607 -1.678 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.830 -11.862 -2.768 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.208 -14.413 -3.824 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.265 -11.677 -2.960 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.469 -12.042 -4.200 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.758 -14.874 -5.416 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.184 -13.844 -5.584 1.00 0.00 H new ATOM 644 N SER A 44 2.134 -11.317 0.478 1.00 0.00 N ATOM 645 CA SER A 44 2.733 -10.219 1.228 1.00 0.00 C ATOM 646 C SER A 44 2.637 -8.912 0.446 1.00 0.00 C ATOM 647 O SER A 44 2.590 -8.913 -0.784 1.00 0.00 O ATOM 648 CB SER A 44 4.196 -10.529 1.548 1.00 0.00 C ATOM 649 OG SER A 44 4.848 -11.117 0.435 1.00 0.00 O ATOM 0 H SER A 44 2.454 -11.392 -0.488 1.00 0.00 H new ATOM 0 HA SER A 44 2.182 -10.106 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.712 -9.612 1.833 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.250 -11.203 2.403 1.00 0.00 H new ATOM 0 HG SER A 44 5.782 -11.304 0.664 1.00 0.00 H new ATOM 655 N VAL A 45 2.608 -7.797 1.170 1.00 0.00 N ATOM 656 CA VAL A 45 2.520 -6.483 0.547 1.00 0.00 C ATOM 657 C VAL A 45 3.344 -5.454 1.313 1.00 0.00 C ATOM 658 O VAL A 45 3.661 -5.648 2.487 1.00 0.00 O ATOM 659 CB VAL A 45 1.060 -5.997 0.465 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.201 -7.011 -0.275 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.508 -5.734 1.858 1.00 0.00 C ATOM 0 H VAL A 45 2.644 -7.779 2.189 1.00 0.00 H new ATOM 0 HA VAL A 45 2.919 -6.585 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 45 1.037 -5.061 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.827 -6.651 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.586 -7.145 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.227 -7.964 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.524 -5.391 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.543 -6.653 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.109 -4.969 2.349 1.00 0.00 H new ATOM 671 N ILE A 46 3.686 -4.360 0.642 1.00 0.00 N ATOM 672 CA ILE A 46 4.472 -3.299 1.260 1.00 0.00 C ATOM 673 C ILE A 46 3.575 -2.180 1.777 1.00 0.00 C ATOM 674 O ILE A 46 2.746 -1.644 1.040 1.00 0.00 O ATOM 675 CB ILE A 46 5.495 -2.708 0.273 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.571 -3.743 -0.063 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.125 -1.450 0.852 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.382 -4.181 1.137 1.00 0.00 C ATOM 0 H ILE A 46 3.431 -4.185 -0.330 1.00 0.00 H new ATOM 0 HA ILE A 46 5.006 -3.749 2.097 1.00 0.00 H new ATOM 0 HB ILE A 46 4.976 -2.440 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.097 -4.617 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.243 -3.327 -0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.846 -1.044 0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.349 -0.709 1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.633 -1.694 1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.125 -4.915 0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.885 -3.317 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.721 -4.627 1.880 1.00 0.00 H new ATOM 690 N VAL A 47 3.747 -1.829 3.047 1.00 0.00 N ATOM 691 CA VAL A 47 2.955 -0.771 3.662 1.00 0.00 C ATOM 692 C VAL A 47 3.830 0.415 4.051 1.00 0.00 C ATOM 693 O VAL A 47 5.042 0.276 4.220 1.00 0.00 O ATOM 694 CB VAL A 47 2.213 -1.280 4.913 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.890 -0.549 5.083 1.00 0.00 C ATOM 696 CG2 VAL A 47 1.994 -2.783 4.828 1.00 0.00 C ATOM 0 H VAL A 47 4.428 -2.262 3.670 1.00 0.00 H new ATOM 0 HA VAL A 47 2.224 -0.451 2.920 1.00 0.00 H new ATOM 0 HB VAL A 47 2.829 -1.075 5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.380 -0.922 5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.076 0.519 5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.264 -0.720 4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.469 -3.125 5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.399 -3.015 3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.958 -3.288 4.758 1.00 0.00 H new ATOM 706 N ILE A 48 3.208 1.581 4.193 1.00 0.00 N ATOM 707 CA ILE A 48 3.931 2.791 4.564 1.00 0.00 C ATOM 708 C ILE A 48 4.308 2.775 6.042 1.00 0.00 C ATOM 709 O ILE A 48 3.535 3.213 6.895 1.00 0.00 O ATOM 710 CB ILE A 48 3.100 4.055 4.271 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.785 4.149 2.777 1.00 0.00 C ATOM 712 CG2 ILE A 48 3.842 5.297 4.742 1.00 0.00 C ATOM 713 CD1 ILE A 48 4.017 4.173 1.900 1.00 0.00 C ATOM 0 H ILE A 48 2.206 1.713 4.057 1.00 0.00 H new ATOM 0 HA ILE A 48 4.838 2.814 3.961 1.00 0.00 H new ATOM 0 HB ILE A 48 2.159 3.989 4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.162 3.301 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.200 5.050 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.243 6.182 4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.020 5.230 5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.796 5.370 4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.718 4.241 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.631 5.036 2.158 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.592 3.260 2.055 1.00 0.00 H new ATOM 725 N ARG A 49 5.501 2.270 6.337 1.00 0.00 N ATOM 726 CA ARG A 49 5.981 2.198 7.711 1.00 0.00 C ATOM 727 C ARG A 49 5.655 3.481 8.470 1.00 0.00 C ATOM 728 O ARG A 49 4.893 3.466 9.437 1.00 0.00 O ATOM 729 CB ARG A 49 7.490 1.949 7.735 1.00 0.00 C ATOM 730 CG ARG A 49 8.067 1.829 9.136 1.00 0.00 C ATOM 731 CD ARG A 49 7.714 0.492 9.770 1.00 0.00 C ATOM 732 NE ARG A 49 8.631 0.141 10.852 1.00 0.00 N ATOM 733 CZ ARG A 49 9.903 -0.188 10.658 1.00 0.00 C ATOM 734 NH1 ARG A 49 10.407 -0.211 9.432 1.00 0.00 N ATOM 735 NH2 ARG A 49 10.675 -0.495 11.693 1.00 0.00 N ATOM 0 H ARG A 49 6.153 1.905 5.643 1.00 0.00 H new ATOM 0 HA ARG A 49 5.474 1.367 8.202 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.707 1.035 7.183 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.992 2.764 7.213 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.151 1.939 9.095 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.687 2.640 9.758 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.695 0.531 10.156 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.736 -0.288 9.009 1.00 0.00 H new ATOM 0 HE ARG A 49 8.275 0.149 11.808 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.817 0.025 8.634 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.384 -0.464 9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.291 -0.478 12.638 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.652 -0.748 11.543 1.00 0.00 H new ATOM 749 N SER A 50 6.237 4.590 8.024 1.00 0.00 N ATOM 750 CA SER A 50 6.012 5.881 8.662 1.00 0.00 C ATOM 751 C SER A 50 6.658 7.005 7.858 1.00 0.00 C ATOM 752 O SER A 50 7.651 6.794 7.160 1.00 0.00 O ATOM 753 CB SER A 50 6.568 5.873 10.087 1.00 0.00 C ATOM 754 OG SER A 50 5.602 5.400 11.010 1.00 0.00 O ATOM 0 H SER A 50 6.868 4.620 7.223 1.00 0.00 H new ATOM 0 HA SER A 50 4.937 6.057 8.700 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.456 5.242 10.130 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.878 6.880 10.365 1.00 0.00 H new ATOM 0 HG SER A 50 5.150 4.614 10.637 1.00 0.00 H new ATOM 760 N LEU A 51 6.088 8.201 7.961 1.00 0.00 N ATOM 761 CA LEU A 51 6.607 9.360 7.243 1.00 0.00 C ATOM 762 C LEU A 51 7.513 10.196 8.142 1.00 0.00 C ATOM 763 O LEU A 51 7.058 10.788 9.121 1.00 0.00 O ATOM 764 CB LEU A 51 5.455 10.219 6.721 1.00 0.00 C ATOM 765 CG LEU A 51 4.185 9.468 6.320 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.091 10.444 5.916 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.477 8.493 5.189 1.00 0.00 C ATOM 0 H LEU A 51 5.267 8.393 8.535 1.00 0.00 H new ATOM 0 HA LEU A 51 7.195 9.000 6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.195 10.948 7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.810 10.780 5.856 1.00 0.00 H new ATOM 0 HG LEU A 51 3.835 8.900 7.182 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.195 9.890 5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.862 11.102 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.430 11.041 5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.562 7.967 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.852 9.041 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.226 7.772 5.515 1.00 0.00 H new ATOM 779 N VAL A 52 8.797 10.241 7.802 1.00 0.00 N ATOM 780 CA VAL A 52 9.767 11.006 8.576 1.00 0.00 C ATOM 781 C VAL A 52 9.280 12.432 8.809 1.00 0.00 C ATOM 782 O VAL A 52 8.527 12.981 8.006 1.00 0.00 O ATOM 783 CB VAL A 52 11.136 11.051 7.873 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.117 11.900 8.668 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.678 9.644 7.672 1.00 0.00 C ATOM 0 H VAL A 52 9.190 9.756 6.995 1.00 0.00 H new ATOM 0 HA VAL A 52 9.877 10.501 9.535 1.00 0.00 H new ATOM 0 HB VAL A 52 11.007 11.510 6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.079 11.920 8.156 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.731 12.916 8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.245 11.473 9.663 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.646 9.695 7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.793 9.157 8.640 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.984 9.071 7.058 1.00 0.00 H new ATOM 795 N ALA A 53 9.717 13.027 9.914 1.00 0.00 N ATOM 796 CA ALA A 53 9.328 14.391 10.252 1.00 0.00 C ATOM 797 C ALA A 53 9.775 15.372 9.174 1.00 0.00 C ATOM 798 O ALA A 53 10.966 15.648 9.028 1.00 0.00 O ATOM 799 CB ALA A 53 9.909 14.786 11.602 1.00 0.00 C ATOM 0 H ALA A 53 10.340 12.586 10.590 1.00 0.00 H new ATOM 0 HA ALA A 53 8.240 14.428 10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.611 15.807 11.842 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.536 14.109 12.371 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.997 14.726 11.562 1.00 0.00 H new ATOM 805 N ASP A 54 8.814 15.896 8.422 1.00 0.00 N ATOM 806 CA ASP A 54 9.108 16.847 7.357 1.00 0.00 C ATOM 807 C ASP A 54 9.862 16.170 6.217 1.00 0.00 C ATOM 808 O ASP A 54 10.749 16.765 5.606 1.00 0.00 O ATOM 809 CB ASP A 54 9.928 18.018 7.902 1.00 0.00 C ATOM 810 CG ASP A 54 9.326 18.609 9.162 1.00 0.00 C ATOM 811 OD1 ASP A 54 8.099 18.472 9.353 1.00 0.00 O ATOM 812 OD2 ASP A 54 10.080 19.210 9.955 1.00 0.00 O ATOM 0 H ASP A 54 7.823 15.678 8.530 1.00 0.00 H new ATOM 0 HA ASP A 54 8.162 17.225 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.943 17.681 8.111 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.001 18.793 7.139 1.00 0.00 H new ATOM 817 N GLY A 55 9.504 14.921 5.936 1.00 0.00 N ATOM 818 CA GLY A 55 10.157 14.183 4.871 1.00 0.00 C ATOM 819 C GLY A 55 9.421 14.297 3.551 1.00 0.00 C ATOM 820 O GLY A 55 8.211 14.522 3.524 1.00 0.00 O ATOM 0 H GLY A 55 8.773 14.407 6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.175 14.552 4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.230 13.133 5.153 1.00 0.00 H new ATOM 824 N VAL A 56 10.153 14.143 2.452 1.00 0.00 N ATOM 825 CA VAL A 56 9.562 14.230 1.122 1.00 0.00 C ATOM 826 C VAL A 56 8.148 13.660 1.109 1.00 0.00 C ATOM 827 O VAL A 56 7.266 14.175 0.423 1.00 0.00 O ATOM 828 CB VAL A 56 10.414 13.482 0.079 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.757 13.544 -1.291 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.821 14.057 0.030 1.00 0.00 C ATOM 0 H VAL A 56 11.156 13.957 2.457 1.00 0.00 H new ATOM 0 HA VAL A 56 9.526 15.288 0.861 1.00 0.00 H new ATOM 0 HB VAL A 56 10.483 12.435 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.373 13.010 -2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.771 13.082 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.655 14.585 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.409 13.517 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.774 15.111 -0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.290 13.955 1.009 1.00 0.00 H new ATOM 840 N ALA A 57 7.939 12.594 1.875 1.00 0.00 N ATOM 841 CA ALA A 57 6.631 11.955 1.954 1.00 0.00 C ATOM 842 C ALA A 57 5.587 12.911 2.522 1.00 0.00 C ATOM 843 O ALA A 57 4.639 13.288 1.834 1.00 0.00 O ATOM 844 CB ALA A 57 6.711 10.694 2.801 1.00 0.00 C ATOM 0 H ALA A 57 8.658 12.155 2.449 1.00 0.00 H new ATOM 0 HA ALA A 57 6.325 11.682 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.728 10.227 2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.420 9.999 2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.043 10.952 3.807 1.00 0.00 H new ATOM 850 N GLU A 58 5.768 13.297 3.781 1.00 0.00 N ATOM 851 CA GLU A 58 4.839 14.208 4.441 1.00 0.00 C ATOM 852 C GLU A 58 4.761 15.538 3.697 1.00 0.00 C ATOM 853 O GLU A 58 3.677 16.088 3.499 1.00 0.00 O ATOM 854 CB GLU A 58 5.266 14.446 5.890 1.00 0.00 C ATOM 855 CG GLU A 58 4.131 14.898 6.793 1.00 0.00 C ATOM 856 CD GLU A 58 4.610 15.761 7.944 1.00 0.00 C ATOM 857 OE1 GLU A 58 4.920 16.948 7.709 1.00 0.00 O ATOM 858 OE2 GLU A 58 4.674 15.249 9.082 1.00 0.00 O ATOM 0 H GLU A 58 6.548 12.994 4.364 1.00 0.00 H new ATOM 0 HA GLU A 58 3.851 13.748 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.693 13.526 6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.055 15.198 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.403 15.456 6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.617 14.023 7.190 1.00 0.00 H new ATOM 865 N ARG A 59 5.917 16.049 3.288 1.00 0.00 N ATOM 866 CA ARG A 59 5.981 17.315 2.568 1.00 0.00 C ATOM 867 C ARG A 59 4.911 17.377 1.482 1.00 0.00 C ATOM 868 O ARG A 59 4.032 18.239 1.511 1.00 0.00 O ATOM 869 CB ARG A 59 7.366 17.503 1.945 1.00 0.00 C ATOM 870 CG ARG A 59 8.464 17.750 2.966 1.00 0.00 C ATOM 871 CD ARG A 59 9.823 17.891 2.299 1.00 0.00 C ATOM 872 NE ARG A 59 10.714 18.769 3.052 1.00 0.00 N ATOM 873 CZ ARG A 59 10.716 20.092 2.931 1.00 0.00 C ATOM 874 NH1 ARG A 59 9.879 20.686 2.092 1.00 0.00 N ATOM 875 NH2 ARG A 59 11.557 20.824 3.651 1.00 0.00 N ATOM 0 H ARG A 59 6.822 15.606 3.443 1.00 0.00 H new ATOM 0 HA ARG A 59 5.799 18.119 3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.616 16.617 1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.332 18.342 1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.240 18.654 3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.491 16.926 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.282 16.907 2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.693 18.285 1.291 1.00 0.00 H new ATOM 0 HE ARG A 59 11.371 18.344 3.706 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.231 20.127 1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.883 21.702 2.001 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.202 20.371 4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.558 21.840 3.557 1.00 0.00 H new ATOM 889 N SER A 60 4.992 16.459 0.525 1.00 0.00 N ATOM 890 CA SER A 60 4.033 16.412 -0.573 1.00 0.00 C ATOM 891 C SER A 60 2.602 16.433 -0.045 1.00 0.00 C ATOM 892 O SER A 60 1.757 17.177 -0.541 1.00 0.00 O ATOM 893 CB SER A 60 4.258 15.158 -1.421 1.00 0.00 C ATOM 894 OG SER A 60 3.743 14.007 -0.775 1.00 0.00 O ATOM 0 H SER A 60 5.712 15.737 0.487 1.00 0.00 H new ATOM 0 HA SER A 60 4.185 17.294 -1.195 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.777 15.280 -2.391 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.324 15.028 -1.608 1.00 0.00 H new ATOM 0 HG SER A 60 4.160 13.912 0.107 1.00 0.00 H new ATOM 900 N GLY A 61 2.337 15.609 0.964 1.00 0.00 N ATOM 901 CA GLY A 61 1.008 15.548 1.543 1.00 0.00 C ATOM 902 C GLY A 61 0.115 14.545 0.840 1.00 0.00 C ATOM 903 O GLY A 61 -1.043 14.836 0.544 1.00 0.00 O ATOM 0 H GLY A 61 3.019 14.982 1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.086 15.284 2.598 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.548 16.535 1.495 1.00 0.00 H new ATOM 907 N GLY A 62 0.656 13.361 0.570 1.00 0.00 N ATOM 908 CA GLY A 62 -0.114 12.330 -0.102 1.00 0.00 C ATOM 909 C GLY A 62 0.031 10.974 0.559 1.00 0.00 C ATOM 910 O GLY A 62 -0.943 10.232 0.689 1.00 0.00 O ATOM 0 H GLY A 62 1.613 13.097 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.166 12.615 -0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.207 12.260 -1.141 1.00 0.00 H new ATOM 914 N LEU A 63 1.249 10.648 0.977 1.00 0.00 N ATOM 915 CA LEU A 63 1.518 9.371 1.627 1.00 0.00 C ATOM 916 C LEU A 63 1.063 9.394 3.083 1.00 0.00 C ATOM 917 O LEU A 63 0.913 10.460 3.681 1.00 0.00 O ATOM 918 CB LEU A 63 3.011 9.043 1.553 1.00 0.00 C ATOM 919 CG LEU A 63 3.492 8.393 0.256 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.433 9.387 -0.894 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.904 7.850 0.423 1.00 0.00 C ATOM 0 H LEU A 63 2.066 11.251 0.877 1.00 0.00 H new ATOM 0 HA LEU A 63 0.956 8.599 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.573 9.965 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.258 8.380 2.382 1.00 0.00 H new ATOM 0 HG LEU A 63 2.829 7.560 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.779 8.906 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.406 9.727 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.071 10.242 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.230 7.391 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.579 8.666 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.915 7.104 1.218 1.00 0.00 H new ATOM 933 N LEU A 64 0.846 8.212 3.648 1.00 0.00 N ATOM 934 CA LEU A 64 0.410 8.095 5.035 1.00 0.00 C ATOM 935 C LEU A 64 0.773 6.729 5.608 1.00 0.00 C ATOM 936 O LEU A 64 0.832 5.726 4.896 1.00 0.00 O ATOM 937 CB LEU A 64 -1.100 8.319 5.136 1.00 0.00 C ATOM 938 CG LEU A 64 -1.590 9.736 4.839 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.110 9.794 4.875 1.00 0.00 C ATOM 940 CD2 LEU A 64 -0.993 10.726 5.828 1.00 0.00 C ATOM 0 H LEU A 64 0.965 7.320 3.167 1.00 0.00 H new ATOM 0 HA LEU A 64 0.924 8.860 5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.595 7.633 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.421 8.049 6.142 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.260 10.011 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.440 10.810 4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.518 9.115 4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.462 9.498 5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.353 11.729 5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.292 10.454 6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.094 10.705 5.752 1.00 0.00 H new ATOM 952 N PRO A 65 1.020 6.685 6.925 1.00 0.00 N ATOM 953 CA PRO A 65 1.378 5.447 7.623 1.00 0.00 C ATOM 954 C PRO A 65 0.209 4.472 7.711 1.00 0.00 C ATOM 955 O PRO A 65 -0.805 4.758 8.347 1.00 0.00 O ATOM 956 CB PRO A 65 1.778 5.930 9.020 1.00 0.00 C ATOM 957 CG PRO A 65 1.046 7.215 9.200 1.00 0.00 C ATOM 958 CD PRO A 65 0.968 7.842 7.835 1.00 0.00 C ATOM 0 HA PRO A 65 2.165 4.900 7.104 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.499 5.205 9.785 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.856 6.074 9.096 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.050 7.043 9.608 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.569 7.867 9.900 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.048 8.413 7.707 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.796 8.528 7.660 1.00 0.00 H new ATOM 966 N GLY A 66 0.357 3.318 7.068 1.00 0.00 N ATOM 967 CA GLY A 66 -0.694 2.318 7.086 1.00 0.00 C ATOM 968 C GLY A 66 -1.175 1.956 5.695 1.00 0.00 C ATOM 969 O GLY A 66 -1.738 0.881 5.486 1.00 0.00 O ATOM 0 H GLY A 66 1.187 3.058 6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.329 1.421 7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.534 2.689 7.672 1.00 0.00 H new ATOM 973 N ASP A 67 -0.954 2.854 4.742 1.00 0.00 N ATOM 974 CA ASP A 67 -1.368 2.624 3.363 1.00 0.00 C ATOM 975 C ASP A 67 -0.422 1.652 2.666 1.00 0.00 C ATOM 976 O ASP A 67 0.785 1.664 2.907 1.00 0.00 O ATOM 977 CB ASP A 67 -1.418 3.946 2.596 1.00 0.00 C ATOM 978 CG ASP A 67 -2.412 4.924 3.190 1.00 0.00 C ATOM 979 OD1 ASP A 67 -2.756 4.771 4.381 1.00 0.00 O ATOM 980 OD2 ASP A 67 -2.846 5.843 2.464 1.00 0.00 O ATOM 0 H ASP A 67 -0.490 3.749 4.899 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.365 2.184 3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.426 4.398 2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.683 3.750 1.557 1.00 0.00 H new ATOM 985 N ARG A 68 -0.979 0.810 1.801 1.00 0.00 N ATOM 986 CA ARG A 68 -0.185 -0.171 1.071 1.00 0.00 C ATOM 987 C ARG A 68 0.389 0.437 -0.206 1.00 0.00 C ATOM 988 O ARG A 68 -0.354 0.884 -1.082 1.00 0.00 O ATOM 989 CB ARG A 68 -1.036 -1.395 0.728 1.00 0.00 C ATOM 990 CG ARG A 68 -0.279 -2.470 -0.034 1.00 0.00 C ATOM 991 CD ARG A 68 -0.375 -2.259 -1.537 1.00 0.00 C ATOM 992 NE ARG A 68 -0.148 -3.497 -2.278 1.00 0.00 N ATOM 993 CZ ARG A 68 1.049 -4.051 -2.435 1.00 0.00 C ATOM 994 NH1 ARG A 68 2.122 -3.479 -1.906 1.00 0.00 N ATOM 995 NH2 ARG A 68 1.175 -5.178 -3.124 1.00 0.00 N ATOM 0 H ARG A 68 -1.976 0.788 1.589 1.00 0.00 H new ATOM 0 HA ARG A 68 0.642 -0.480 1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.429 -1.824 1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.893 -1.076 0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.768 -2.464 0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.680 -3.451 0.223 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.360 -1.863 -1.785 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.356 -1.512 -1.846 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.953 -3.962 -2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.029 -2.612 -1.377 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.040 -3.906 -2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.352 -5.620 -3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.095 -5.602 -3.244 1.00 0.00 H new ATOM 1009 N LEU A 69 1.713 0.450 -0.306 1.00 0.00 N ATOM 1010 CA LEU A 69 2.387 1.002 -1.476 1.00 0.00 C ATOM 1011 C LEU A 69 2.329 0.029 -2.648 1.00 0.00 C ATOM 1012 O LEU A 69 2.719 -1.132 -2.525 1.00 0.00 O ATOM 1013 CB LEU A 69 3.844 1.330 -1.142 1.00 0.00 C ATOM 1014 CG LEU A 69 4.782 1.508 -2.336 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.439 2.778 -3.099 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.232 1.536 -1.876 1.00 0.00 C ATOM 0 H LEU A 69 2.342 0.084 0.409 1.00 0.00 H new ATOM 0 HA LEU A 69 1.871 1.918 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.863 2.246 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.239 0.534 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 69 4.651 0.659 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.117 2.888 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.413 2.719 -3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.541 3.639 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.885 1.663 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.378 2.366 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.473 0.599 -1.374 1.00 0.00 H new ATOM 1028 N VAL A 70 1.841 0.511 -3.787 1.00 0.00 N ATOM 1029 CA VAL A 70 1.735 -0.316 -4.984 1.00 0.00 C ATOM 1030 C VAL A 70 3.086 -0.460 -5.674 1.00 0.00 C ATOM 1031 O VAL A 70 3.610 -1.565 -5.811 1.00 0.00 O ATOM 1032 CB VAL A 70 0.720 0.272 -5.983 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.718 -0.530 -7.276 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.671 0.312 -5.368 1.00 0.00 C ATOM 0 H VAL A 70 1.513 1.469 -3.906 1.00 0.00 H new ATOM 0 HA VAL A 70 1.389 -1.298 -4.661 1.00 0.00 H new ATOM 0 HB VAL A 70 1.017 1.294 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.005 -0.100 -7.970 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.712 -0.501 -7.723 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.446 -1.564 -7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.375 0.730 -6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.981 -0.699 -5.103 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.655 0.933 -4.473 1.00 0.00 H new ATOM 1044 N SER A 71 3.647 0.665 -6.107 1.00 0.00 N ATOM 1045 CA SER A 71 4.937 0.664 -6.786 1.00 0.00 C ATOM 1046 C SER A 71 5.668 1.985 -6.565 1.00 0.00 C ATOM 1047 O SER A 71 5.146 2.898 -5.926 1.00 0.00 O ATOM 1048 CB SER A 71 4.748 0.417 -8.284 1.00 0.00 C ATOM 1049 OG SER A 71 3.805 1.320 -8.835 1.00 0.00 O ATOM 0 H SER A 71 3.228 1.589 -5.999 1.00 0.00 H new ATOM 0 HA SER A 71 5.541 -0.140 -6.366 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.703 0.526 -8.797 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.414 -0.607 -8.447 1.00 0.00 H new ATOM 0 HG SER A 71 3.704 1.143 -9.793 1.00 0.00 H new ATOM 1055 N VAL A 72 6.882 2.078 -7.099 1.00 0.00 N ATOM 1056 CA VAL A 72 7.686 3.287 -6.962 1.00 0.00 C ATOM 1057 C VAL A 72 8.480 3.566 -8.234 1.00 0.00 C ATOM 1058 O VAL A 72 9.430 2.854 -8.553 1.00 0.00 O ATOM 1059 CB VAL A 72 8.662 3.180 -5.775 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.529 4.426 -5.683 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.899 2.954 -4.478 1.00 0.00 C ATOM 0 H VAL A 72 7.330 1.331 -7.630 1.00 0.00 H new ATOM 0 HA VAL A 72 6.993 4.109 -6.781 1.00 0.00 H new ATOM 0 HB VAL A 72 9.316 2.323 -5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.212 4.332 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.102 4.539 -6.603 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.895 5.301 -5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.603 2.881 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.221 3.789 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.326 2.030 -4.550 1.00 0.00 H new ATOM 1071 N ASN A 73 8.082 4.608 -8.956 1.00 0.00 N ATOM 1072 CA ASN A 73 8.756 4.982 -10.194 1.00 0.00 C ATOM 1073 C ASN A 73 8.657 3.864 -11.227 1.00 0.00 C ATOM 1074 O ASN A 73 9.637 3.532 -11.892 1.00 0.00 O ATOM 1075 CB ASN A 73 10.225 5.310 -9.920 1.00 0.00 C ATOM 1076 CG ASN A 73 10.439 6.776 -9.595 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.499 7.490 -9.245 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.681 7.232 -9.710 1.00 0.00 N ATOM 0 H ASN A 73 7.296 5.208 -8.705 1.00 0.00 H new ATOM 0 HA ASN A 73 8.261 5.867 -10.595 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.582 4.701 -9.090 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.823 5.043 -10.791 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.886 8.210 -9.505 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.430 6.604 -10.003 1.00 0.00 H new ATOM 1085 N GLU A 74 7.465 3.288 -11.355 1.00 0.00 N ATOM 1086 CA GLU A 74 7.239 2.206 -12.307 1.00 0.00 C ATOM 1087 C GLU A 74 7.947 0.931 -11.860 1.00 0.00 C ATOM 1088 O GLU A 74 8.693 0.321 -12.627 1.00 0.00 O ATOM 1089 CB GLU A 74 7.726 2.612 -13.699 1.00 0.00 C ATOM 1090 CG GLU A 74 7.282 4.004 -14.117 1.00 0.00 C ATOM 1091 CD GLU A 74 7.477 4.258 -15.599 1.00 0.00 C ATOM 1092 OE1 GLU A 74 8.587 4.680 -15.988 1.00 0.00 O ATOM 1093 OE2 GLU A 74 6.521 4.036 -16.371 1.00 0.00 O ATOM 0 H GLU A 74 6.643 3.552 -10.813 1.00 0.00 H new ATOM 0 HA GLU A 74 6.167 2.010 -12.348 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.815 2.565 -13.722 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.360 1.889 -14.428 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.230 4.137 -13.865 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.842 4.746 -13.548 1.00 0.00 H new ATOM 1100 N TYR A 75 7.710 0.535 -10.614 1.00 0.00 N ATOM 1101 CA TYR A 75 8.327 -0.666 -10.064 1.00 0.00 C ATOM 1102 C TYR A 75 7.294 -1.530 -9.348 1.00 0.00 C ATOM 1103 O TYR A 75 6.901 -1.240 -8.217 1.00 0.00 O ATOM 1104 CB TYR A 75 9.451 -0.289 -9.097 1.00 0.00 C ATOM 1105 CG TYR A 75 10.803 -0.161 -9.761 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.222 1.049 -10.301 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.663 -1.249 -9.847 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.456 1.171 -10.909 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.900 -1.136 -10.452 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.292 0.076 -10.982 1.00 0.00 C ATOM 1111 OH TYR A 75 14.522 0.193 -11.586 1.00 0.00 O ATOM 0 H TYR A 75 7.095 1.028 -9.966 1.00 0.00 H new ATOM 0 HA TYR A 75 8.744 -1.241 -10.891 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.202 0.656 -8.614 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.511 -1.042 -8.312 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.571 1.909 -10.244 1.00 0.00 H new ATOM 0 HD2 TYR A 75 11.359 -2.199 -9.434 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.765 2.119 -11.325 1.00 0.00 H new ATOM 0 HE2 TYR A 75 13.556 -1.992 -10.510 1.00 0.00 H new ATOM 0 HH TYR A 75 14.986 -0.669 -11.552 1.00 0.00 H new ATOM 1121 N CYS A 76 6.858 -2.594 -10.014 1.00 0.00 N ATOM 1122 CA CYS A 76 5.870 -3.502 -9.443 1.00 0.00 C ATOM 1123 C CYS A 76 6.365 -4.084 -8.123 1.00 0.00 C ATOM 1124 O CYS A 76 7.005 -5.137 -8.098 1.00 0.00 O ATOM 1125 CB CYS A 76 5.556 -4.631 -10.426 1.00 0.00 C ATOM 1126 SG CYS A 76 7.008 -5.557 -10.976 1.00 0.00 S ATOM 0 H CYS A 76 7.173 -2.849 -10.950 1.00 0.00 H new ATOM 0 HA CYS A 76 4.960 -2.934 -9.250 1.00 0.00 H new ATOM 0 HB2 CYS A 76 4.854 -5.321 -9.958 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.055 -4.210 -11.298 1.00 0.00 H new ATOM 0 HG CYS A 76 7.745 -5.859 -9.948 1.00 0.00 H new ATOM 1132 N LEU A 77 6.067 -3.393 -7.029 1.00 0.00 N ATOM 1133 CA LEU A 77 6.483 -3.841 -5.704 1.00 0.00 C ATOM 1134 C LEU A 77 5.523 -4.892 -5.158 1.00 0.00 C ATOM 1135 O LEU A 77 5.549 -5.213 -3.970 1.00 0.00 O ATOM 1136 CB LEU A 77 6.558 -2.653 -4.743 1.00 0.00 C ATOM 1137 CG LEU A 77 7.555 -1.553 -5.111 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.565 -0.465 -4.048 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.948 -2.137 -5.293 1.00 0.00 C ATOM 0 H LEU A 77 5.539 -2.520 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 77 7.472 -4.291 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.566 -2.207 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.812 -3.029 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 77 7.244 -1.106 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.280 0.309 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.570 -0.027 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.852 -0.896 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.645 -1.341 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.269 -2.609 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.930 -2.880 -6.091 1.00 0.00 H new ATOM 1151 N ASP A 78 4.679 -5.426 -6.034 1.00 0.00 N ATOM 1152 CA ASP A 78 3.712 -6.445 -5.640 1.00 0.00 C ATOM 1153 C ASP A 78 4.418 -7.682 -5.093 1.00 0.00 C ATOM 1154 O ASP A 78 5.384 -8.167 -5.679 1.00 0.00 O ATOM 1155 CB ASP A 78 2.832 -6.830 -6.830 1.00 0.00 C ATOM 1156 CG ASP A 78 2.148 -5.630 -7.456 1.00 0.00 C ATOM 1157 OD1 ASP A 78 2.862 -4.726 -7.938 1.00 0.00 O ATOM 1158 OD2 ASP A 78 0.900 -5.595 -7.464 1.00 0.00 O ATOM 0 H ASP A 78 4.645 -5.171 -7.021 1.00 0.00 H new ATOM 0 HA ASP A 78 3.084 -6.029 -4.852 1.00 0.00 H new ATOM 0 HB2 ASP A 78 3.442 -7.330 -7.582 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.077 -7.546 -6.504 1.00 0.00 H new ATOM 1163 N ASN A 79 3.928 -8.185 -3.965 1.00 0.00 N ATOM 1164 CA ASN A 79 4.513 -9.365 -3.337 1.00 0.00 C ATOM 1165 C ASN A 79 6.037 -9.299 -3.371 1.00 0.00 C ATOM 1166 O ASN A 79 6.704 -10.266 -3.743 1.00 0.00 O ATOM 1167 CB ASN A 79 4.031 -10.635 -4.040 1.00 0.00 C ATOM 1168 CG ASN A 79 2.663 -11.078 -3.559 1.00 0.00 C ATOM 1169 OD1 ASN A 79 2.539 -11.735 -2.525 1.00 0.00 O ATOM 1170 ND2 ASN A 79 1.627 -10.719 -4.309 1.00 0.00 N ATOM 0 H ASN A 79 3.128 -7.795 -3.467 1.00 0.00 H new ATOM 0 HA ASN A 79 4.190 -9.390 -2.296 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.996 -10.461 -5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.750 -11.436 -3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.682 -10.988 -4.036 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.777 -10.174 -5.158 1.00 0.00 H new ATOM 1177 N THR A 80 6.584 -8.153 -2.978 1.00 0.00 N ATOM 1178 CA THR A 80 8.028 -7.960 -2.964 1.00 0.00 C ATOM 1179 C THR A 80 8.580 -8.045 -1.545 1.00 0.00 C ATOM 1180 O THR A 80 7.913 -7.660 -0.585 1.00 0.00 O ATOM 1181 CB THR A 80 8.420 -6.601 -3.574 1.00 0.00 C ATOM 1182 OG1 THR A 80 7.892 -6.489 -4.901 1.00 0.00 O ATOM 1183 CG2 THR A 80 9.932 -6.439 -3.609 1.00 0.00 C ATOM 0 H THR A 80 6.048 -7.344 -2.665 1.00 0.00 H new ATOM 0 HA THR A 80 8.459 -8.759 -3.568 1.00 0.00 H new ATOM 0 HB THR A 80 8.001 -5.813 -2.949 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.604 -6.209 -5.514 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.184 -5.472 -4.044 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.328 -6.495 -2.595 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.369 -7.234 -4.213 1.00 0.00 H new ATOM 1191 N SER A 81 9.803 -8.551 -1.421 1.00 0.00 N ATOM 1192 CA SER A 81 10.444 -8.689 -0.118 1.00 0.00 C ATOM 1193 C SER A 81 10.952 -7.341 0.383 1.00 0.00 C ATOM 1194 O SER A 81 11.551 -6.572 -0.369 1.00 0.00 O ATOM 1195 CB SER A 81 11.602 -9.686 -0.199 1.00 0.00 C ATOM 1196 OG SER A 81 11.128 -11.000 -0.436 1.00 0.00 O ATOM 0 H SER A 81 10.370 -8.872 -2.206 1.00 0.00 H new ATOM 0 HA SER A 81 9.701 -9.062 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.284 -9.392 -0.997 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.171 -9.663 0.730 1.00 0.00 H new ATOM 0 HG SER A 81 11.887 -11.618 -0.485 1.00 0.00 H new ATOM 1202 N LEU A 82 10.709 -7.061 1.659 1.00 0.00 N ATOM 1203 CA LEU A 82 11.141 -5.806 2.263 1.00 0.00 C ATOM 1204 C LEU A 82 12.492 -5.369 1.704 1.00 0.00 C ATOM 1205 O LEU A 82 12.647 -4.239 1.243 1.00 0.00 O ATOM 1206 CB LEU A 82 11.230 -5.953 3.783 1.00 0.00 C ATOM 1207 CG LEU A 82 11.861 -4.780 4.535 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.126 -3.486 4.220 1.00 0.00 C ATOM 1209 CD2 LEU A 82 11.860 -5.045 6.034 1.00 0.00 C ATOM 0 H LEU A 82 10.215 -7.687 2.295 1.00 0.00 H new ATOM 0 HA LEU A 82 10.403 -5.042 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.224 -6.109 4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.802 -6.853 4.008 1.00 0.00 H new ATOM 0 HG LEU A 82 12.895 -4.676 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.589 -2.663 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.179 -3.289 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.082 -3.578 4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.313 -4.200 6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.835 -5.176 6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.432 -5.949 6.244 1.00 0.00 H new ATOM 1221 N ALA A 83 13.464 -6.274 1.746 1.00 0.00 N ATOM 1222 CA ALA A 83 14.800 -5.984 1.239 1.00 0.00 C ATOM 1223 C ALA A 83 14.740 -5.427 -0.179 1.00 0.00 C ATOM 1224 O ALA A 83 15.381 -4.423 -0.488 1.00 0.00 O ATOM 1225 CB ALA A 83 15.664 -7.236 1.281 1.00 0.00 C ATOM 0 H ALA A 83 13.352 -7.214 2.126 1.00 0.00 H new ATOM 0 HA ALA A 83 15.248 -5.225 1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.659 -7.005 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.743 -7.589 2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.210 -8.012 0.664 1.00 0.00 H new ATOM 1231 N GLU A 84 13.966 -6.085 -1.036 1.00 0.00 N ATOM 1232 CA GLU A 84 13.825 -5.655 -2.423 1.00 0.00 C ATOM 1233 C GLU A 84 13.166 -4.281 -2.501 1.00 0.00 C ATOM 1234 O GLU A 84 13.603 -3.414 -3.258 1.00 0.00 O ATOM 1235 CB GLU A 84 13.002 -6.673 -3.214 1.00 0.00 C ATOM 1236 CG GLU A 84 13.837 -7.784 -3.830 1.00 0.00 C ATOM 1237 CD GLU A 84 13.157 -8.435 -5.019 1.00 0.00 C ATOM 1238 OE1 GLU A 84 12.122 -9.104 -4.817 1.00 0.00 O ATOM 1239 OE2 GLU A 84 13.659 -8.274 -6.151 1.00 0.00 O ATOM 0 H GLU A 84 13.427 -6.917 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 84 14.822 -5.587 -2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.255 -7.115 -2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.462 -6.154 -4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.799 -7.379 -4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.041 -8.542 -3.074 1.00 0.00 H new ATOM 1246 N ALA A 85 12.113 -4.090 -1.714 1.00 0.00 N ATOM 1247 CA ALA A 85 11.394 -2.822 -1.693 1.00 0.00 C ATOM 1248 C ALA A 85 12.310 -1.679 -1.268 1.00 0.00 C ATOM 1249 O ALA A 85 12.308 -0.609 -1.877 1.00 0.00 O ATOM 1250 CB ALA A 85 10.192 -2.912 -0.764 1.00 0.00 C ATOM 0 H ALA A 85 11.738 -4.798 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 85 11.043 -2.615 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.664 -1.958 -0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.520 -3.696 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.529 -3.146 0.246 1.00 0.00 H new ATOM 1256 N VAL A 86 13.092 -1.912 -0.218 1.00 0.00 N ATOM 1257 CA VAL A 86 14.013 -0.902 0.288 1.00 0.00 C ATOM 1258 C VAL A 86 15.072 -0.553 -0.752 1.00 0.00 C ATOM 1259 O VAL A 86 15.354 0.619 -0.995 1.00 0.00 O ATOM 1260 CB VAL A 86 14.711 -1.375 1.577 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.799 -0.394 1.986 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.696 -1.556 2.696 1.00 0.00 C ATOM 0 H VAL A 86 13.106 -2.792 0.298 1.00 0.00 H new ATOM 0 HA VAL A 86 13.420 -0.015 0.509 1.00 0.00 H new ATOM 0 HB VAL A 86 15.180 -2.340 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.281 -0.745 2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.540 -0.320 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.357 0.587 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.206 -1.890 3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.197 -0.607 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.957 -2.300 2.400 1.00 0.00 H new ATOM 1272 N GLU A 87 15.655 -1.580 -1.363 1.00 0.00 N ATOM 1273 CA GLU A 87 16.683 -1.381 -2.377 1.00 0.00 C ATOM 1274 C GLU A 87 16.134 -0.592 -3.561 1.00 0.00 C ATOM 1275 O GLU A 87 16.824 0.255 -4.130 1.00 0.00 O ATOM 1276 CB GLU A 87 17.226 -2.729 -2.856 1.00 0.00 C ATOM 1277 CG GLU A 87 18.281 -3.322 -1.937 1.00 0.00 C ATOM 1278 CD GLU A 87 19.584 -2.547 -1.967 1.00 0.00 C ATOM 1279 OE1 GLU A 87 19.898 -1.959 -3.023 1.00 0.00 O ATOM 1280 OE2 GLU A 87 20.288 -2.529 -0.937 1.00 0.00 O ATOM 0 H GLU A 87 15.433 -2.557 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 87 17.495 -0.809 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.399 -3.433 -2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.651 -2.607 -3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.898 -3.342 -0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.471 -4.355 -2.227 1.00 0.00 H new ATOM 1287 N ILE A 88 14.889 -0.876 -3.927 1.00 0.00 N ATOM 1288 CA ILE A 88 14.246 -0.192 -5.043 1.00 0.00 C ATOM 1289 C ILE A 88 14.114 1.302 -4.770 1.00 0.00 C ATOM 1290 O ILE A 88 14.309 2.127 -5.664 1.00 0.00 O ATOM 1291 CB ILE A 88 12.850 -0.775 -5.332 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.975 -2.139 -6.015 1.00 0.00 C ATOM 1293 CG2 ILE A 88 12.044 0.184 -6.195 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.828 -3.076 -5.706 1.00 0.00 C ATOM 0 H ILE A 88 14.305 -1.575 -3.467 1.00 0.00 H new ATOM 0 HA ILE A 88 14.882 -0.345 -5.915 1.00 0.00 H new ATOM 0 HB ILE A 88 12.325 -0.910 -4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.034 -1.992 -7.094 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.910 -2.607 -5.706 1.00 0.00 H new ATOM 0 HG21 ILE A 88 11.060 -0.242 -6.391 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.931 1.135 -5.674 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.563 0.347 -7.140 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.982 -4.023 -6.223 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.782 -3.253 -4.631 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.892 -2.628 -6.041 1.00 0.00 H new ATOM 1306 N LEU A 89 13.784 1.644 -3.530 1.00 0.00 N ATOM 1307 CA LEU A 89 13.628 3.040 -3.137 1.00 0.00 C ATOM 1308 C LEU A 89 14.985 3.724 -3.006 1.00 0.00 C ATOM 1309 O LEU A 89 15.095 4.943 -3.146 1.00 0.00 O ATOM 1310 CB LEU A 89 12.866 3.137 -1.815 1.00 0.00 C ATOM 1311 CG LEU A 89 11.343 3.223 -1.923 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.695 2.923 -0.580 1.00 0.00 C ATOM 1313 CD2 LEU A 89 10.921 4.596 -2.426 1.00 0.00 C ATOM 0 H LEU A 89 13.619 0.974 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 89 13.059 3.549 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.119 2.267 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.222 4.015 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 89 11.006 2.475 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.611 2.989 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.970 1.918 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.038 3.647 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.834 4.639 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.270 5.361 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.356 4.773 -3.410 1.00 0.00 H new ATOM 1325 N LYS A 90 16.017 2.932 -2.737 1.00 0.00 N ATOM 1326 CA LYS A 90 17.369 3.459 -2.590 1.00 0.00 C ATOM 1327 C LYS A 90 18.063 3.563 -3.945 1.00 0.00 C ATOM 1328 O LYS A 90 18.900 4.439 -4.158 1.00 0.00 O ATOM 1329 CB LYS A 90 18.187 2.568 -1.653 1.00 0.00 C ATOM 1330 CG LYS A 90 17.920 2.826 -0.181 1.00 0.00 C ATOM 1331 CD LYS A 90 18.173 1.585 0.658 1.00 0.00 C ATOM 1332 CE LYS A 90 19.645 1.444 1.015 1.00 0.00 C ATOM 1333 NZ LYS A 90 20.036 2.356 2.125 1.00 0.00 N ATOM 0 H LYS A 90 15.943 1.922 -2.616 1.00 0.00 H new ATOM 0 HA LYS A 90 17.298 4.458 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.968 1.524 -1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.247 2.721 -1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.557 3.638 0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.888 3.151 -0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.579 1.634 1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.844 0.701 0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 90 19.852 0.413 1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 90 20.254 1.659 0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 21.035 2.624 2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 19.444 3.210 2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.902 1.872 3.036 1.00 0.00 H new ATOM 1347 N ALA A 91 17.708 2.664 -4.857 1.00 0.00 N ATOM 1348 CA ALA A 91 18.294 2.657 -6.192 1.00 0.00 C ATOM 1349 C ALA A 91 17.582 3.647 -7.108 1.00 0.00 C ATOM 1350 O ALA A 91 18.124 4.056 -8.136 1.00 0.00 O ATOM 1351 CB ALA A 91 18.243 1.256 -6.783 1.00 0.00 C ATOM 0 H ALA A 91 17.017 1.931 -4.696 1.00 0.00 H new ATOM 0 HA ALA A 91 19.336 2.965 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.684 1.265 -7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.802 0.572 -6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 91 17.206 0.926 -6.848 1.00 0.00 H new ATOM 1357 N VAL A 92 16.366 4.027 -6.731 1.00 0.00 N ATOM 1358 CA VAL A 92 15.581 4.969 -7.520 1.00 0.00 C ATOM 1359 C VAL A 92 16.285 6.317 -7.628 1.00 0.00 C ATOM 1360 O VAL A 92 16.819 6.846 -6.653 1.00 0.00 O ATOM 1361 CB VAL A 92 14.182 5.181 -6.911 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.278 5.965 -5.611 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.271 5.888 -7.903 1.00 0.00 C ATOM 0 H VAL A 92 15.903 3.697 -5.884 1.00 0.00 H new ATOM 0 HA VAL A 92 15.475 4.537 -8.515 1.00 0.00 H new ATOM 0 HB VAL A 92 13.751 4.205 -6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.280 6.105 -5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.893 5.415 -4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.730 6.938 -5.805 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.287 6.030 -7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.696 6.858 -8.160 1.00 0.00 H new ATOM 0 HG23 VAL A 92 13.176 5.283 -8.805 1.00 0.00 H new ATOM 1373 N PRO A 93 16.288 6.887 -8.842 1.00 0.00 N ATOM 1374 CA PRO A 93 16.923 8.182 -9.106 1.00 0.00 C ATOM 1375 C PRO A 93 16.173 9.339 -8.457 1.00 0.00 C ATOM 1376 O PRO A 93 14.980 9.251 -8.164 1.00 0.00 O ATOM 1377 CB PRO A 93 16.868 8.298 -10.632 1.00 0.00 C ATOM 1378 CG PRO A 93 15.715 7.447 -11.036 1.00 0.00 C ATOM 1379 CD PRO A 93 15.672 6.312 -10.049 1.00 0.00 C ATOM 0 HA PRO A 93 17.932 8.233 -8.696 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.725 9.332 -10.945 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.795 7.951 -11.089 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.785 8.015 -11.018 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.842 7.075 -12.053 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.650 5.982 -9.861 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.226 5.445 -10.409 1.00 0.00 H new ATOM 1387 N PRO A 94 16.885 10.452 -8.225 1.00 0.00 N ATOM 1388 CA PRO A 94 16.306 11.649 -7.608 1.00 0.00 C ATOM 1389 C PRO A 94 15.318 12.355 -8.530 1.00 0.00 C ATOM 1390 O PRO A 94 15.207 12.022 -9.709 1.00 0.00 O ATOM 1391 CB PRO A 94 17.524 12.538 -7.347 1.00 0.00 C ATOM 1392 CG PRO A 94 18.534 12.101 -8.351 1.00 0.00 C ATOM 1393 CD PRO A 94 18.311 10.627 -8.548 1.00 0.00 C ATOM 0 HA PRO A 94 15.736 11.410 -6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.277 13.593 -7.467 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.896 12.411 -6.330 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.412 12.643 -9.289 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.546 12.299 -7.998 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.532 10.320 -9.570 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.948 10.033 -7.892 1.00 0.00 H new ATOM 1401 N GLY A 95 14.602 13.334 -7.984 1.00 0.00 N ATOM 1402 CA GLY A 95 13.633 14.072 -8.772 1.00 0.00 C ATOM 1403 C GLY A 95 12.213 13.596 -8.540 1.00 0.00 C ATOM 1404 O GLY A 95 11.913 12.991 -7.509 1.00 0.00 O ATOM 0 H GLY A 95 14.676 13.629 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.702 15.132 -8.527 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.878 13.972 -9.829 1.00 0.00 H new ATOM 1408 N LEU A 96 11.334 13.870 -9.498 1.00 0.00 N ATOM 1409 CA LEU A 96 9.936 13.466 -9.393 1.00 0.00 C ATOM 1410 C LEU A 96 9.820 11.965 -9.150 1.00 0.00 C ATOM 1411 O LEU A 96 10.410 11.161 -9.873 1.00 0.00 O ATOM 1412 CB LEU A 96 9.177 13.850 -10.664 1.00 0.00 C ATOM 1413 CG LEU A 96 7.651 13.818 -10.570 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.170 12.434 -10.164 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.156 14.867 -9.585 1.00 0.00 C ATOM 0 H LEU A 96 11.565 14.370 -10.356 1.00 0.00 H new ATOM 0 HA LEU A 96 9.495 13.987 -8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.482 14.855 -10.956 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.486 13.178 -11.465 1.00 0.00 H new ATOM 0 HG LEU A 96 7.240 14.049 -11.553 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.082 12.431 -10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.494 11.704 -10.906 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.589 12.174 -9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.068 14.830 -9.531 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.576 14.667 -8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.469 15.856 -9.919 1.00 0.00 H new ATOM 1427 N VAL A 97 9.053 11.593 -8.131 1.00 0.00 N ATOM 1428 CA VAL A 97 8.856 10.187 -7.795 1.00 0.00 C ATOM 1429 C VAL A 97 7.383 9.803 -7.884 1.00 0.00 C ATOM 1430 O VAL A 97 6.575 10.199 -7.044 1.00 0.00 O ATOM 1431 CB VAL A 97 9.373 9.871 -6.379 1.00 0.00 C ATOM 1432 CG1 VAL A 97 9.081 8.423 -6.015 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.862 10.164 -6.279 1.00 0.00 C ATOM 0 H VAL A 97 8.557 12.245 -7.523 1.00 0.00 H new ATOM 0 HA VAL A 97 9.425 9.605 -8.520 1.00 0.00 H new ATOM 0 HB VAL A 97 8.851 10.512 -5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.453 8.218 -5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.005 8.250 -6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.575 7.762 -6.727 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.211 9.935 -5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.403 9.550 -6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.041 11.217 -6.494 1.00 0.00 H new ATOM 1443 N HIS A 98 7.040 9.027 -8.907 1.00 0.00 N ATOM 1444 CA HIS A 98 5.664 8.587 -9.106 1.00 0.00 C ATOM 1445 C HIS A 98 5.434 7.219 -8.469 1.00 0.00 C ATOM 1446 O HIS A 98 5.845 6.193 -9.013 1.00 0.00 O ATOM 1447 CB HIS A 98 5.335 8.530 -10.598 1.00 0.00 C ATOM 1448 CG HIS A 98 4.978 9.861 -11.184 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.631 10.405 -12.269 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.028 10.758 -10.830 1.00 0.00 C ATOM 1451 CE1 HIS A 98 5.099 11.579 -12.557 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.124 11.817 -11.698 1.00 0.00 N ATOM 0 H HIS A 98 7.696 8.690 -9.611 1.00 0.00 H new ATOM 0 HA HIS A 98 5.004 9.308 -8.624 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.192 8.124 -11.135 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.506 7.840 -10.753 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.325 10.659 -10.016 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.408 12.233 -13.359 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.538 12.652 -11.682 1.00 0.00 H new ATOM 1461 N LEU A 99 4.776 7.212 -7.315 1.00 0.00 N ATOM 1462 CA LEU A 99 4.492 5.971 -6.604 1.00 0.00 C ATOM 1463 C LEU A 99 3.013 5.877 -6.242 1.00 0.00 C ATOM 1464 O LEU A 99 2.412 6.850 -5.787 1.00 0.00 O ATOM 1465 CB LEU A 99 5.345 5.879 -5.338 1.00 0.00 C ATOM 1466 CG LEU A 99 5.387 7.132 -4.463 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.189 7.170 -3.527 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.686 7.188 -3.673 1.00 0.00 C ATOM 0 H LEU A 99 4.429 8.052 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 99 4.740 5.139 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.974 5.051 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.365 5.629 -5.629 1.00 0.00 H new ATOM 0 HG LEU A 99 5.342 8.007 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.236 8.069 -2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.270 7.179 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.201 6.290 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.698 8.086 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.762 6.308 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.530 7.210 -4.362 1.00 0.00 H new ATOM 1480 N GLY A 100 2.432 4.698 -6.445 1.00 0.00 N ATOM 1481 CA GLY A 100 1.029 4.499 -6.132 1.00 0.00 C ATOM 1482 C GLY A 100 0.808 4.103 -4.686 1.00 0.00 C ATOM 1483 O GLY A 100 1.665 3.468 -4.071 1.00 0.00 O ATOM 0 H GLY A 100 2.908 3.878 -6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.479 5.417 -6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.621 3.726 -6.784 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.343 4.480 -4.141 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.674 4.160 -2.757 1.00 0.00 C ATOM 1489 C ILE A 101 -2.086 3.595 -2.646 1.00 0.00 C ATOM 1490 O ILE A 101 -2.990 4.008 -3.373 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.556 5.399 -1.850 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.769 6.121 -2.105 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.672 4.997 -0.387 1.00 0.00 C ATOM 1494 CD1 ILE A 101 1.957 5.456 -1.445 1.00 0.00 C ATOM 0 H ILE A 101 -1.062 5.007 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 101 0.042 3.408 -2.427 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.372 6.082 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.943 6.174 -3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.690 7.146 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.587 5.883 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.638 4.522 -0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.126 4.297 -0.138 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.861 6.022 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.805 5.427 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.062 4.440 -1.824 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.268 2.650 -1.731 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.571 2.028 -1.522 1.00 0.00 C ATOM 1508 C CYS A 102 -4.154 2.427 -0.171 1.00 0.00 C ATOM 1509 O CYS A 102 -3.742 1.914 0.870 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.452 0.505 -1.611 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.698 -0.159 -3.275 1.00 0.00 S ATOM 0 H CYS A 102 -1.530 2.297 -1.122 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.244 2.379 -2.305 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.466 0.207 -1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.183 0.054 -0.940 1.00 0.00 H new ATOM 0 HG CYS A 102 -3.576 -1.453 -3.248 1.00 0.00 H new ATOM 1517 N SER A 103 -5.114 3.346 -0.195 1.00 0.00 N ATOM 1518 CA SER A 103 -5.750 3.819 1.029 1.00 0.00 C ATOM 1519 C SER A 103 -6.154 2.647 1.919 1.00 0.00 C ATOM 1520 O SER A 103 -6.923 1.778 1.509 1.00 0.00 O ATOM 1521 CB SER A 103 -6.978 4.667 0.695 1.00 0.00 C ATOM 1522 OG SER A 103 -7.614 5.130 1.874 1.00 0.00 O ATOM 0 H SER A 103 -5.468 3.778 -1.048 1.00 0.00 H new ATOM 0 HA SER A 103 -5.030 4.432 1.570 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.681 5.517 0.081 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.681 4.078 0.106 1.00 0.00 H new ATOM 0 HG SER A 103 -8.395 5.671 1.634 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.629 2.631 3.140 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.945 1.562 4.070 1.00 0.00 C ATOM 1530 C GLY A 104 -6.434 2.082 5.407 1.00 0.00 C ATOM 1531 O GLY A 104 -6.981 3.180 5.508 1.00 0.00 O ATOM 0 H GLY A 104 -4.990 3.339 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.708 0.918 3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.059 0.946 4.225 1.00 0.00 H new