USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 THR OG1 : rot -140:sc= 0 USER MOD Set 1.2: A 88 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.1) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.506 K(o=0.49,f=-5.2!) USER MOD Set 2.2: A 92 SER OG : rot -115:sc= -0.0202 USER MOD Single : A 15 GLN : amide:sc= -0.0797 K(o=-0.08,f=-1.4!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0522 K(o=-0.052,f=-1.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 40 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-4.4!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 61:sc= 0.0882 USER MOD Single : A 47 SER OG : rot 15:sc= 0.00416 USER MOD Single : A 51 SER OG : rot -38:sc= 0.423 USER MOD Single : A 64 GLN : amide:sc= -0.736 K(o=-0.74,f=-4.5!) USER MOD Single : A 66 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.26) USER MOD Single : A 71 MET CE :methyl -155:sc= -0.137 (180deg=-1.05) USER MOD Single : A 77 MET CE :methyl -165:sc= -4.15 (180deg=-5.12!) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -1.53 F(o=-3.6!,f=-1.5) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N ILE A 12 -8.266 -5.902 -8.497 1.00 0.00 N ATOM 130 CA ILE A 12 -7.288 -4.997 -9.088 1.00 0.00 C ATOM 131 C ILE A 12 -6.441 -4.324 -8.013 1.00 0.00 C ATOM 132 O ILE A 12 -6.898 -3.405 -7.333 1.00 0.00 O ATOM 133 CB ILE A 12 -7.971 -3.911 -9.941 1.00 0.00 C ATOM 134 CG1 ILE A 12 -9.074 -4.528 -10.803 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.946 -3.200 -10.812 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.855 -3.510 -11.604 1.00 0.00 C ATOM 0 HA ILE A 12 -6.645 -5.601 -9.728 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.424 -3.177 -9.274 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.628 -5.251 -11.486 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.762 -5.078 -10.160 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.443 -2.436 -11.409 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.192 -2.732 -10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.467 -3.922 -11.473 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.620 -4.018 -12.191 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.330 -2.800 -10.926 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.179 -2.977 -12.272 1.00 0.00 H new ATOM 148 N TRP A 13 -5.205 -4.788 -7.866 1.00 0.00 N ATOM 149 CA TRP A 13 -4.293 -4.230 -6.874 1.00 0.00 C ATOM 150 C TRP A 13 -3.652 -2.945 -7.386 1.00 0.00 C ATOM 151 O TRP A 13 -2.733 -2.983 -8.204 1.00 0.00 O ATOM 152 CB TRP A 13 -3.209 -5.249 -6.518 1.00 0.00 C ATOM 153 CG TRP A 13 -3.723 -6.408 -5.719 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.335 -7.529 -6.202 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.670 -6.558 -4.296 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.667 -8.367 -5.165 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.269 -7.795 -3.986 1.00 0.00 C ATOM 158 CE3 TRP A 13 -3.175 -5.770 -3.254 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -4.384 -8.259 -2.678 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -3.290 -6.231 -1.957 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.890 -7.466 -1.678 1.00 0.00 C ATOM 0 H TRP A 13 -4.812 -5.548 -8.421 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.869 -3.995 -5.979 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.756 -5.622 -7.436 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.421 -4.749 -5.954 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.529 -7.728 -7.246 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.134 -9.269 -5.258 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.710 -4.817 -3.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -4.846 -9.210 -2.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.911 -5.629 -1.144 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.964 -7.799 -0.653 1.00 0.00 H new ATOM 172 N GLU A 14 -4.143 -1.809 -6.900 1.00 0.00 N ATOM 173 CA GLU A 14 -3.616 -0.513 -7.311 1.00 0.00 C ATOM 174 C GLU A 14 -2.575 -0.008 -6.315 1.00 0.00 C ATOM 175 O GLU A 14 -2.739 -0.152 -5.104 1.00 0.00 O ATOM 176 CB GLU A 14 -4.751 0.506 -7.439 1.00 0.00 C ATOM 177 CG GLU A 14 -5.926 0.007 -8.263 1.00 0.00 C ATOM 178 CD GLU A 14 -6.698 1.135 -8.921 1.00 0.00 C ATOM 179 OE1 GLU A 14 -6.763 2.233 -8.331 1.00 0.00 O ATOM 180 OE2 GLU A 14 -7.237 0.918 -10.027 1.00 0.00 O ATOM 0 H GLU A 14 -4.904 -1.760 -6.222 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.136 -0.636 -8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.104 0.772 -6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.361 1.417 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.563 -0.676 -9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.599 -0.563 -7.622 1.00 0.00 H new ATOM 187 N GLN A 15 -1.505 0.583 -6.836 1.00 0.00 N ATOM 188 CA GLN A 15 -0.437 1.108 -5.994 1.00 0.00 C ATOM 189 C GLN A 15 -0.655 2.588 -5.697 1.00 0.00 C ATOM 190 O GLN A 15 -0.928 3.379 -6.600 1.00 0.00 O ATOM 191 CB GLN A 15 0.921 0.906 -6.670 1.00 0.00 C ATOM 192 CG GLN A 15 1.593 -0.407 -6.303 1.00 0.00 C ATOM 193 CD GLN A 15 2.575 -0.875 -7.359 1.00 0.00 C ATOM 194 OE1 GLN A 15 2.384 -0.633 -8.551 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.633 -1.550 -6.926 1.00 0.00 N ATOM 0 H GLN A 15 -1.355 0.710 -7.837 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.451 0.561 -5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.789 0.947 -7.751 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.580 1.731 -6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.115 -0.291 -5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.831 -1.172 -6.156 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.751 -1.728 -5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.328 -1.891 -7.591 1.00 0.00 H new ATOM 204 N TYR A 16 -0.533 2.955 -4.426 1.00 0.00 N ATOM 205 CA TYR A 16 -0.720 4.340 -4.010 1.00 0.00 C ATOM 206 C TYR A 16 0.594 4.946 -3.527 1.00 0.00 C ATOM 207 O TYR A 16 1.109 4.581 -2.469 1.00 0.00 O ATOM 208 CB TYR A 16 -1.771 4.424 -2.901 1.00 0.00 C ATOM 209 CG TYR A 16 -3.128 3.901 -3.313 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.300 2.571 -3.678 1.00 0.00 C ATOM 211 CD2 TYR A 16 -4.239 4.735 -3.337 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.538 2.088 -4.055 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.481 4.261 -3.712 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.626 2.937 -4.070 1.00 0.00 C ATOM 215 OH TYR A 16 -6.861 2.461 -4.445 1.00 0.00 O ATOM 0 H TYR A 16 -0.306 2.313 -3.667 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.066 4.908 -4.873 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.421 3.860 -2.036 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.872 5.462 -2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.451 1.904 -3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.130 5.772 -3.057 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.654 1.052 -4.336 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.334 4.923 -3.725 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.519 3.186 -4.400 1.00 0.00 H new ATOM 225 N THR A 17 1.134 5.874 -4.311 1.00 0.00 N ATOM 226 CA THR A 17 2.388 6.531 -3.965 1.00 0.00 C ATOM 227 C THR A 17 2.137 7.865 -3.272 1.00 0.00 C ATOM 228 O THR A 17 1.881 8.877 -3.924 1.00 0.00 O ATOM 229 CB THR A 17 3.259 6.770 -5.213 1.00 0.00 C ATOM 230 OG1 THR A 17 3.423 5.546 -5.938 1.00 0.00 O ATOM 231 CG2 THR A 17 4.622 7.322 -4.824 1.00 0.00 C ATOM 0 H THR A 17 0.722 6.187 -5.190 1.00 0.00 H new ATOM 0 HA THR A 17 2.917 5.865 -3.283 1.00 0.00 H new ATOM 0 HB THR A 17 2.756 7.501 -5.845 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.976 5.707 -6.731 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.219 7.483 -5.722 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.495 8.268 -4.299 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.130 6.611 -4.173 1.00 0.00 H new ATOM 239 N VAL A 18 2.212 7.860 -1.944 1.00 0.00 N ATOM 240 CA VAL A 18 1.995 9.071 -1.162 1.00 0.00 C ATOM 241 C VAL A 18 3.207 9.390 -0.294 1.00 0.00 C ATOM 242 O VAL A 18 3.983 8.501 0.060 1.00 0.00 O ATOM 243 CB VAL A 18 0.752 8.942 -0.261 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.519 9.129 -1.075 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.747 7.596 0.449 1.00 0.00 C ATOM 0 H VAL A 18 2.421 7.031 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 18 1.837 9.882 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 18 0.789 9.726 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.387 9.034 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.516 10.118 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.567 8.369 -1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.138 7.521 1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.733 6.795 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.642 7.506 1.065 1.00 0.00 H new ATOM 255 N THR A 19 3.365 10.665 0.047 1.00 0.00 N ATOM 256 CA THR A 19 4.483 11.102 0.874 1.00 0.00 C ATOM 257 C THR A 19 4.008 11.546 2.252 1.00 0.00 C ATOM 258 O THR A 19 3.115 12.386 2.372 1.00 0.00 O ATOM 259 CB THR A 19 5.253 12.260 0.211 1.00 0.00 C ATOM 260 OG1 THR A 19 4.402 12.947 -0.714 1.00 0.00 O ATOM 261 CG2 THR A 19 6.487 11.745 -0.514 1.00 0.00 C ATOM 0 H THR A 19 2.733 11.413 -0.237 1.00 0.00 H new ATOM 0 HA THR A 19 5.150 10.246 0.981 1.00 0.00 H new ATOM 0 HB THR A 19 5.572 12.950 0.993 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.898 13.683 -1.130 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.014 12.581 -0.974 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.146 11.248 0.198 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.186 11.037 -1.286 1.00 0.00 H new ATOM 269 N LEU A 20 4.609 10.978 3.292 1.00 0.00 N ATOM 270 CA LEU A 20 4.247 11.316 4.664 1.00 0.00 C ATOM 271 C LEU A 20 5.310 12.203 5.304 1.00 0.00 C ATOM 272 O LEU A 20 6.499 12.066 5.020 1.00 0.00 O ATOM 273 CB LEU A 20 4.063 10.043 5.492 1.00 0.00 C ATOM 274 CG LEU A 20 3.218 8.942 4.851 1.00 0.00 C ATOM 275 CD1 LEU A 20 3.599 7.581 5.414 1.00 0.00 C ATOM 276 CD2 LEU A 20 1.736 9.214 5.065 1.00 0.00 C ATOM 0 H LEU A 20 5.349 10.281 3.211 1.00 0.00 H new ATOM 0 HA LEU A 20 3.306 11.866 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.048 9.634 5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.607 10.315 6.444 1.00 0.00 H new ATOM 0 HG LEU A 20 3.415 8.937 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.987 6.810 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.651 7.384 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.432 7.573 6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.150 8.420 4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.523 9.247 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.473 10.170 4.613 1.00 0.00 H new ATOM 288 N GLN A 21 4.872 13.111 6.170 1.00 0.00 N ATOM 289 CA GLN A 21 5.786 14.020 6.852 1.00 0.00 C ATOM 290 C GLN A 21 5.993 13.597 8.302 1.00 0.00 C ATOM 291 O GLN A 21 5.042 13.240 8.998 1.00 0.00 O ATOM 292 CB GLN A 21 5.250 15.452 6.797 1.00 0.00 C ATOM 293 CG GLN A 21 4.980 15.947 5.385 1.00 0.00 C ATOM 294 CD GLN A 21 4.827 17.454 5.315 1.00 0.00 C ATOM 295 OE1 GLN A 21 5.324 18.181 6.175 1.00 0.00 O ATOM 296 NE2 GLN A 21 4.135 17.931 4.287 1.00 0.00 N ATOM 0 H GLN A 21 3.890 13.237 6.416 1.00 0.00 H new ATOM 0 HA GLN A 21 6.748 13.980 6.340 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.328 15.508 7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.968 16.118 7.276 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.797 15.638 4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.073 15.475 5.006 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.740 17.292 3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.998 18.937 4.187 1.00 0.00 H new ATOM 305 N LYS A 22 7.242 13.640 8.753 1.00 0.00 N ATOM 306 CA LYS A 22 7.576 13.262 10.121 1.00 0.00 C ATOM 307 C LYS A 22 7.095 14.319 11.110 1.00 0.00 C ATOM 308 O LYS A 22 7.817 15.266 11.421 1.00 0.00 O ATOM 309 CB LYS A 22 9.087 13.065 10.264 1.00 0.00 C ATOM 310 CG LYS A 22 9.490 12.367 11.551 1.00 0.00 C ATOM 311 CD LYS A 22 10.641 11.402 11.325 1.00 0.00 C ATOM 312 CE LYS A 22 10.141 9.986 11.083 1.00 0.00 C ATOM 313 NZ LYS A 22 10.085 9.194 12.343 1.00 0.00 N ATOM 0 H LYS A 22 8.041 13.933 8.190 1.00 0.00 H new ATOM 0 HA LYS A 22 7.071 12.323 10.345 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.451 12.485 9.416 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.578 14.037 10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.778 13.110 12.294 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.635 11.826 11.956 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.231 11.732 10.470 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.302 11.413 12.192 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.149 10.023 10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.796 9.487 10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.739 8.235 12.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.036 9.137 12.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.440 9.656 13.015 1.00 0.00 H new ATOM 327 N ASP A 23 5.872 14.150 11.601 1.00 0.00 N ATOM 328 CA ASP A 23 5.296 15.089 12.557 1.00 0.00 C ATOM 329 C ASP A 23 6.219 15.278 13.756 1.00 0.00 C ATOM 330 O ASP A 23 7.329 14.748 13.787 1.00 0.00 O ATOM 331 CB ASP A 23 3.926 14.596 13.025 1.00 0.00 C ATOM 332 CG ASP A 23 2.992 15.735 13.385 1.00 0.00 C ATOM 333 OD1 ASP A 23 3.116 16.818 12.775 1.00 0.00 O ATOM 334 OD2 ASP A 23 2.138 15.544 14.276 1.00 0.00 O ATOM 0 H ASP A 23 5.261 13.372 11.353 1.00 0.00 H new ATOM 0 HA ASP A 23 5.177 16.051 12.058 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.472 13.993 12.239 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.053 13.947 13.891 1.00 0.00 H new ATOM 339 N SER A 24 5.752 16.039 14.742 1.00 0.00 N ATOM 340 CA SER A 24 6.538 16.303 15.941 1.00 0.00 C ATOM 341 C SER A 24 7.216 15.029 16.438 1.00 0.00 C ATOM 342 O SER A 24 8.430 14.868 16.311 1.00 0.00 O ATOM 343 CB SER A 24 5.648 16.882 17.042 1.00 0.00 C ATOM 344 OG SER A 24 6.380 17.759 17.881 1.00 0.00 O ATOM 0 H SER A 24 4.834 16.483 14.733 1.00 0.00 H new ATOM 0 HA SER A 24 7.310 17.030 15.687 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.811 17.417 16.594 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.227 16.072 17.637 1.00 0.00 H new ATOM 0 HG SER A 24 5.788 18.117 18.575 1.00 0.00 H new ATOM 350 N LYS A 25 6.423 14.126 17.004 1.00 0.00 N ATOM 351 CA LYS A 25 6.943 12.866 17.520 1.00 0.00 C ATOM 352 C LYS A 25 6.441 11.689 16.689 1.00 0.00 C ATOM 353 O LYS A 25 7.231 10.950 16.101 1.00 0.00 O ATOM 354 CB LYS A 25 6.534 12.681 18.983 1.00 0.00 C ATOM 355 CG LYS A 25 7.519 13.283 19.970 1.00 0.00 C ATOM 356 CD LYS A 25 8.594 12.285 20.364 1.00 0.00 C ATOM 357 CE LYS A 25 9.753 12.296 19.379 1.00 0.00 C ATOM 358 NZ LYS A 25 10.952 11.601 19.924 1.00 0.00 N ATOM 0 H LYS A 25 5.416 14.244 17.117 1.00 0.00 H new ATOM 0 HA LYS A 25 8.031 12.898 17.455 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.555 13.134 19.138 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.429 11.616 19.191 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.984 14.165 19.529 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.986 13.615 20.861 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.962 12.520 21.363 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.164 11.285 20.410 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.445 11.815 18.451 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.011 13.326 19.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.719 11.631 19.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.262 12.075 20.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.714 10.611 20.135 1.00 0.00 H new ATOM 372 N ARG A 26 5.123 11.523 16.643 1.00 0.00 N ATOM 373 CA ARG A 26 4.517 10.436 15.883 1.00 0.00 C ATOM 374 C ARG A 26 5.154 10.317 14.502 1.00 0.00 C ATOM 375 O ARG A 26 5.080 9.269 13.861 1.00 0.00 O ATOM 376 CB ARG A 26 3.010 10.662 15.743 1.00 0.00 C ATOM 377 CG ARG A 26 2.241 10.460 17.038 1.00 0.00 C ATOM 378 CD ARG A 26 1.786 9.018 17.196 1.00 0.00 C ATOM 379 NE ARG A 26 1.509 8.681 18.590 1.00 0.00 N ATOM 380 CZ ARG A 26 0.816 7.611 18.964 1.00 0.00 C ATOM 381 NH1 ARG A 26 0.332 6.778 18.052 1.00 0.00 N ATOM 382 NH2 ARG A 26 0.605 7.371 20.252 1.00 0.00 N ATOM 0 H ARG A 26 4.455 12.127 17.122 1.00 0.00 H new ATOM 0 HA ARG A 26 4.690 9.506 16.425 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.835 11.675 15.381 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.618 9.981 14.987 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.870 10.739 17.883 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.374 11.120 17.054 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.890 8.853 16.598 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.555 8.351 16.808 1.00 0.00 H new ATOM 0 HE ARG A 26 1.867 9.301 19.316 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.492 6.958 17.061 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.200 5.957 18.342 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.975 8.009 20.957 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.073 6.549 20.537 1.00 0.00 H new ATOM 396 N GLY A 27 5.781 11.398 14.049 1.00 0.00 N ATOM 397 CA GLY A 27 6.421 11.394 12.747 1.00 0.00 C ATOM 398 C GLY A 27 5.460 11.042 11.629 1.00 0.00 C ATOM 399 O GLY A 27 4.522 11.788 11.349 1.00 0.00 O ATOM 0 H GLY A 27 5.857 12.277 14.561 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.853 12.376 12.555 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.244 10.680 12.753 1.00 0.00 H new ATOM 403 N PHE A 28 5.694 9.902 10.986 1.00 0.00 N ATOM 404 CA PHE A 28 4.843 9.454 9.890 1.00 0.00 C ATOM 405 C PHE A 28 3.537 8.869 10.420 1.00 0.00 C ATOM 406 O PHE A 28 2.693 8.410 9.652 1.00 0.00 O ATOM 407 CB PHE A 28 5.574 8.412 9.042 1.00 0.00 C ATOM 408 CG PHE A 28 6.969 8.820 8.662 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.194 9.984 7.946 1.00 0.00 C ATOM 410 CD2 PHE A 28 8.055 8.039 9.023 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.476 10.361 7.595 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.340 8.411 8.675 1.00 0.00 C ATOM 413 CZ PHE A 28 9.551 9.575 7.961 1.00 0.00 C ATOM 0 H PHE A 28 6.466 9.272 11.205 1.00 0.00 H new ATOM 0 HA PHE A 28 4.608 10.318 9.269 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.616 7.472 9.592 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.999 8.225 8.135 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.358 10.604 7.659 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.896 7.129 9.583 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.637 11.270 7.035 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.178 7.793 8.961 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.554 9.869 7.690 1.00 0.00 H new ATOM 423 N GLY A 29 3.379 8.890 11.740 1.00 0.00 N ATOM 424 CA GLY A 29 2.174 8.358 12.351 1.00 0.00 C ATOM 425 C GLY A 29 1.743 7.042 11.735 1.00 0.00 C ATOM 426 O GLY A 29 0.616 6.913 11.256 1.00 0.00 O ATOM 0 H GLY A 29 4.063 9.265 12.397 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.343 8.217 13.419 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.368 9.084 12.249 1.00 0.00 H new ATOM 430 N ILE A 30 2.642 6.064 11.744 1.00 0.00 N ATOM 431 CA ILE A 30 2.349 4.752 11.181 1.00 0.00 C ATOM 432 C ILE A 30 3.147 3.660 11.885 1.00 0.00 C ATOM 433 O ILE A 30 4.264 3.893 12.347 1.00 0.00 O ATOM 434 CB ILE A 30 2.656 4.705 9.672 1.00 0.00 C ATOM 435 CG1 ILE A 30 3.963 5.444 9.373 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.507 5.308 8.878 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.710 4.889 8.181 1.00 0.00 C ATOM 0 H ILE A 30 3.580 6.155 12.135 1.00 0.00 H new ATOM 0 HA ILE A 30 1.284 4.575 11.333 1.00 0.00 H new ATOM 0 HB ILE A 30 2.771 3.664 9.372 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.744 6.497 9.196 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.608 5.396 10.251 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.739 5.267 7.814 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.595 4.744 9.072 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.362 6.346 9.178 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.626 5.460 8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.960 3.844 8.363 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.083 4.962 7.292 1.00 0.00 H new ATOM 449 N ALA A 31 2.567 2.467 11.962 1.00 0.00 N ATOM 450 CA ALA A 31 3.225 1.338 12.607 1.00 0.00 C ATOM 451 C ALA A 31 3.120 0.080 11.751 1.00 0.00 C ATOM 452 O ALA A 31 2.069 -0.207 11.178 1.00 0.00 O ATOM 453 CB ALA A 31 2.627 1.093 13.984 1.00 0.00 C ATOM 0 H ALA A 31 1.642 2.257 11.586 1.00 0.00 H new ATOM 0 HA ALA A 31 4.281 1.582 12.721 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.129 0.247 14.453 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.760 1.981 14.602 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.564 0.875 13.885 1.00 0.00 H new ATOM 459 N VAL A 32 4.216 -0.668 11.669 1.00 0.00 N ATOM 460 CA VAL A 32 4.246 -1.896 10.883 1.00 0.00 C ATOM 461 C VAL A 32 4.240 -3.126 11.785 1.00 0.00 C ATOM 462 O VAL A 32 4.785 -3.101 12.889 1.00 0.00 O ATOM 463 CB VAL A 32 5.486 -1.948 9.971 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.424 -0.848 8.922 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.759 -1.839 10.796 1.00 0.00 C ATOM 0 H VAL A 32 5.094 -0.445 12.137 1.00 0.00 H new ATOM 0 HA VAL A 32 3.349 -1.898 10.264 1.00 0.00 H new ATOM 0 HB VAL A 32 5.496 -2.908 9.455 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.308 -0.901 8.287 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.531 -0.978 8.311 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.389 0.123 9.415 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.625 -1.878 10.135 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.760 -0.895 11.341 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.806 -2.666 11.504 1.00 0.00 H new ATOM 475 N SER A 33 3.621 -4.200 11.308 1.00 0.00 N ATOM 476 CA SER A 33 3.541 -5.439 12.072 1.00 0.00 C ATOM 477 C SER A 33 3.731 -6.651 11.164 1.00 0.00 C ATOM 478 O SER A 33 3.280 -6.660 10.020 1.00 0.00 O ATOM 479 CB SER A 33 2.194 -5.533 12.792 1.00 0.00 C ATOM 480 OG SER A 33 2.231 -4.851 14.033 1.00 0.00 O ATOM 0 H SER A 33 3.167 -4.237 10.395 1.00 0.00 H new ATOM 0 HA SER A 33 4.341 -5.433 12.812 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.412 -5.108 12.163 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.938 -6.580 12.956 1.00 0.00 H new ATOM 0 HG SER A 33 1.358 -4.924 14.473 1.00 0.00 H new ATOM 486 N GLY A 34 4.402 -7.673 11.685 1.00 0.00 N ATOM 487 CA GLY A 34 4.641 -8.876 10.909 1.00 0.00 C ATOM 488 C GLY A 34 6.117 -9.137 10.683 1.00 0.00 C ATOM 489 O GLY A 34 6.962 -8.664 11.442 1.00 0.00 O ATOM 0 H GLY A 34 4.784 -7.690 12.630 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.199 -9.730 11.423 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.139 -8.789 9.945 1.00 0.00 H new ATOM 493 N GLY A 35 6.429 -9.895 9.636 1.00 0.00 N ATOM 494 CA GLY A 35 7.814 -10.207 9.333 1.00 0.00 C ATOM 495 C GLY A 35 7.963 -11.520 8.591 1.00 0.00 C ATOM 496 O GLY A 35 7.191 -12.454 8.808 1.00 0.00 O ATOM 0 H GLY A 35 5.748 -10.298 8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.241 -9.404 8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.385 -10.250 10.261 1.00 0.00 H new ATOM 500 N ARG A 36 8.957 -11.592 7.712 1.00 0.00 N ATOM 501 CA ARG A 36 9.203 -12.800 6.934 1.00 0.00 C ATOM 502 C ARG A 36 9.497 -13.985 7.848 1.00 0.00 C ATOM 503 O ARG A 36 9.508 -15.135 7.406 1.00 0.00 O ATOM 504 CB ARG A 36 10.373 -12.582 5.971 1.00 0.00 C ATOM 505 CG ARG A 36 11.692 -12.297 6.670 1.00 0.00 C ATOM 506 CD ARG A 36 12.868 -12.427 5.715 1.00 0.00 C ATOM 507 NE ARG A 36 14.145 -12.472 6.422 1.00 0.00 N ATOM 508 CZ ARG A 36 14.534 -13.498 7.171 1.00 0.00 C ATOM 509 NH1 ARG A 36 13.749 -14.558 7.309 1.00 0.00 N ATOM 510 NH2 ARG A 36 15.711 -13.466 7.783 1.00 0.00 N ATOM 0 H ARG A 36 9.605 -10.828 7.521 1.00 0.00 H new ATOM 0 HA ARG A 36 8.304 -13.021 6.359 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.487 -13.467 5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.136 -11.750 5.307 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.673 -11.291 7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.820 -12.988 7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.752 -13.332 5.118 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.867 -11.586 5.022 1.00 0.00 H new ATOM 0 HE ARG A 36 14.772 -11.672 6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.844 -14.587 6.839 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.050 -15.344 7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.318 -12.653 7.679 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.009 -14.254 8.358 1.00 0.00 H new ATOM 524 N ASP A 37 9.734 -13.698 9.123 1.00 0.00 N ATOM 525 CA ASP A 37 10.027 -14.740 10.100 1.00 0.00 C ATOM 526 C ASP A 37 8.924 -14.826 11.150 1.00 0.00 C ATOM 527 O ASP A 37 8.688 -15.884 11.732 1.00 0.00 O ATOM 528 CB ASP A 37 11.372 -14.471 10.777 1.00 0.00 C ATOM 529 CG ASP A 37 12.006 -15.734 11.327 1.00 0.00 C ATOM 530 OD1 ASP A 37 11.257 -16.628 11.772 1.00 0.00 O ATOM 531 OD2 ASP A 37 13.251 -15.827 11.311 1.00 0.00 O ATOM 0 H ASP A 37 9.729 -12.752 9.504 1.00 0.00 H new ATOM 0 HA ASP A 37 10.078 -15.693 9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.051 -14.010 10.060 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.231 -13.756 11.588 1.00 0.00 H new ATOM 536 N ASN A 38 8.251 -13.705 11.388 1.00 0.00 N ATOM 537 CA ASN A 38 7.173 -13.653 12.369 1.00 0.00 C ATOM 538 C ASN A 38 5.952 -12.938 11.799 1.00 0.00 C ATOM 539 O ASN A 38 5.556 -11.868 12.263 1.00 0.00 O ATOM 540 CB ASN A 38 7.646 -12.945 13.640 1.00 0.00 C ATOM 541 CG ASN A 38 6.934 -13.447 14.881 1.00 0.00 C ATOM 542 OD1 ASN A 38 5.719 -13.302 15.015 1.00 0.00 O ATOM 543 ND2 ASN A 38 7.690 -14.042 15.797 1.00 0.00 N ATOM 0 H ASN A 38 8.433 -12.820 10.915 1.00 0.00 H new ATOM 0 HA ASN A 38 6.890 -14.676 12.615 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.720 -13.092 13.756 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.480 -11.873 13.538 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.267 -14.400 16.653 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.694 -14.141 15.644 1.00 0.00 H new ATOM 550 N PRO A 39 5.340 -13.541 10.770 1.00 0.00 N ATOM 551 CA PRO A 39 4.154 -12.980 10.115 1.00 0.00 C ATOM 552 C PRO A 39 2.919 -13.033 11.008 1.00 0.00 C ATOM 553 O PRO A 39 2.074 -13.917 10.864 1.00 0.00 O ATOM 554 CB PRO A 39 3.967 -13.879 8.890 1.00 0.00 C ATOM 555 CG PRO A 39 4.605 -15.171 9.267 1.00 0.00 C ATOM 556 CD PRO A 39 5.757 -14.818 10.166 1.00 0.00 C ATOM 0 HA PRO A 39 4.283 -11.925 9.871 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.911 -14.013 8.655 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.438 -13.448 8.007 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.896 -15.822 9.779 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.950 -15.708 8.384 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.926 -15.584 10.923 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.686 -14.713 9.606 1.00 0.00 H new ATOM 564 N HIS A 40 2.821 -12.081 11.931 1.00 0.00 N ATOM 565 CA HIS A 40 1.687 -12.019 12.847 1.00 0.00 C ATOM 566 C HIS A 40 0.393 -12.405 12.137 1.00 0.00 C ATOM 567 O HIS A 40 -0.416 -13.166 12.669 1.00 0.00 O ATOM 568 CB HIS A 40 1.559 -10.615 13.438 1.00 0.00 C ATOM 569 CG HIS A 40 0.312 -10.416 14.243 1.00 0.00 C ATOM 570 ND1 HIS A 40 -0.953 -10.622 13.735 1.00 0.00 N ATOM 571 CD2 HIS A 40 0.140 -10.029 15.529 1.00 0.00 C ATOM 572 CE1 HIS A 40 -1.849 -10.369 14.672 1.00 0.00 C ATOM 573 NE2 HIS A 40 -1.212 -10.007 15.771 1.00 0.00 N ATOM 0 H HIS A 40 3.512 -11.343 12.064 1.00 0.00 H new ATOM 0 HA HIS A 40 1.864 -12.730 13.654 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.425 -10.415 14.069 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.579 -9.886 12.628 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.921 -9.783 16.234 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.920 -10.445 14.559 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.652 -9.753 16.655 1.00 0.00 H new ATOM 582 N PHE A 41 0.203 -11.875 10.933 1.00 0.00 N ATOM 583 CA PHE A 41 -0.993 -12.163 10.151 1.00 0.00 C ATOM 584 C PHE A 41 -1.463 -13.596 10.383 1.00 0.00 C ATOM 585 O PHE A 41 -0.959 -14.533 9.765 1.00 0.00 O ATOM 586 CB PHE A 41 -0.722 -11.938 8.662 1.00 0.00 C ATOM 587 CG PHE A 41 -1.908 -11.407 7.910 1.00 0.00 C ATOM 588 CD1 PHE A 41 -3.182 -11.886 8.171 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.750 -10.429 6.941 1.00 0.00 C ATOM 590 CE1 PHE A 41 -4.276 -11.399 7.481 1.00 0.00 C ATOM 591 CE2 PHE A 41 -2.840 -9.939 6.248 1.00 0.00 C ATOM 592 CZ PHE A 41 -4.105 -10.425 6.517 1.00 0.00 C ATOM 0 H PHE A 41 0.862 -11.244 10.478 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.781 -11.484 10.476 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.109 -11.241 8.554 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.408 -12.880 8.212 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.322 -12.649 8.923 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.764 -10.046 6.725 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.264 -11.780 7.695 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.703 -9.176 5.496 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.958 -10.044 5.975 1.00 0.00 H new ATOM 602 N GLU A 42 -2.432 -13.757 11.279 1.00 0.00 N ATOM 603 CA GLU A 42 -2.969 -15.076 11.593 1.00 0.00 C ATOM 604 C GLU A 42 -2.946 -15.980 10.364 1.00 0.00 C ATOM 605 O GLU A 42 -2.583 -17.153 10.450 1.00 0.00 O ATOM 606 CB GLU A 42 -4.399 -14.955 12.125 1.00 0.00 C ATOM 607 CG GLU A 42 -5.341 -14.231 11.178 1.00 0.00 C ATOM 608 CD GLU A 42 -6.793 -14.349 11.597 1.00 0.00 C ATOM 609 OE1 GLU A 42 -7.149 -13.812 12.666 1.00 0.00 O ATOM 610 OE2 GLU A 42 -7.574 -14.980 10.854 1.00 0.00 O ATOM 0 H GLU A 42 -2.861 -12.992 11.799 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.339 -15.523 12.362 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.791 -15.953 12.321 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.380 -14.427 13.079 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.065 -13.178 11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.223 -14.636 10.173 1.00 0.00 H new ATOM 617 N ASN A 43 -3.336 -15.425 9.221 1.00 0.00 N ATOM 618 CA ASN A 43 -3.362 -16.181 7.975 1.00 0.00 C ATOM 619 C ASN A 43 -1.957 -16.624 7.578 1.00 0.00 C ATOM 620 O ASN A 43 -1.690 -17.814 7.423 1.00 0.00 O ATOM 621 CB ASN A 43 -3.978 -15.339 6.856 1.00 0.00 C ATOM 622 CG ASN A 43 -4.106 -16.109 5.556 1.00 0.00 C ATOM 623 OD1 ASN A 43 -3.482 -15.763 4.553 1.00 0.00 O ATOM 624 ND2 ASN A 43 -4.919 -17.159 5.568 1.00 0.00 N ATOM 0 H ASN A 43 -3.638 -14.455 9.132 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.974 -17.070 8.131 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.963 -14.991 7.167 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.364 -14.453 6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.046 -17.715 4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.416 -17.409 6.423 1.00 0.00 H new ATOM 631 N GLY A 44 -1.061 -15.655 7.415 1.00 0.00 N ATOM 632 CA GLY A 44 0.306 -15.964 7.038 1.00 0.00 C ATOM 633 C GLY A 44 0.772 -15.163 5.839 1.00 0.00 C ATOM 634 O GLY A 44 0.906 -15.701 4.740 1.00 0.00 O ATOM 0 H GLY A 44 -1.258 -14.662 7.537 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.966 -15.766 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.386 -17.028 6.814 1.00 0.00 H new ATOM 638 N GLU A 45 1.018 -13.873 6.049 1.00 0.00 N ATOM 639 CA GLU A 45 1.469 -12.997 4.974 1.00 0.00 C ATOM 640 C GLU A 45 2.809 -12.354 5.322 1.00 0.00 C ATOM 641 O GLU A 45 2.879 -11.450 6.156 1.00 0.00 O ATOM 642 CB GLU A 45 0.426 -11.912 4.699 1.00 0.00 C ATOM 643 CG GLU A 45 0.938 -10.787 3.815 1.00 0.00 C ATOM 644 CD GLU A 45 -0.161 -10.154 2.983 1.00 0.00 C ATOM 645 OE1 GLU A 45 -0.688 -10.835 2.079 1.00 0.00 O ATOM 646 OE2 GLU A 45 -0.493 -8.977 3.236 1.00 0.00 O ATOM 0 H GLU A 45 0.913 -13.412 6.953 1.00 0.00 H new ATOM 0 HA GLU A 45 1.598 -13.602 4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.444 -12.367 4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.090 -11.493 5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.403 -10.023 4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.713 -11.174 3.153 1.00 0.00 H new ATOM 653 N THR A 46 3.871 -12.827 4.678 1.00 0.00 N ATOM 654 CA THR A 46 5.209 -12.301 4.920 1.00 0.00 C ATOM 655 C THR A 46 5.425 -10.987 4.178 1.00 0.00 C ATOM 656 O THR A 46 6.400 -10.832 3.443 1.00 0.00 O ATOM 657 CB THR A 46 6.294 -13.306 4.489 1.00 0.00 C ATOM 658 OG1 THR A 46 6.120 -13.654 3.111 1.00 0.00 O ATOM 659 CG2 THR A 46 6.240 -14.562 5.346 1.00 0.00 C ATOM 0 H THR A 46 3.831 -13.574 3.984 1.00 0.00 H new ATOM 0 HA THR A 46 5.292 -12.127 5.993 1.00 0.00 H new ATOM 0 HB THR A 46 7.268 -12.835 4.624 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.212 -12.851 2.557 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.015 -15.257 5.023 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.403 -14.297 6.391 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.263 -15.034 5.239 1.00 0.00 H new ATOM 667 N SER A 47 4.510 -10.044 4.375 1.00 0.00 N ATOM 668 CA SER A 47 4.599 -8.743 3.722 1.00 0.00 C ATOM 669 C SER A 47 4.213 -7.624 4.684 1.00 0.00 C ATOM 670 O SER A 47 3.047 -7.488 5.058 1.00 0.00 O ATOM 671 CB SER A 47 3.696 -8.706 2.488 1.00 0.00 C ATOM 672 OG SER A 47 4.287 -9.397 1.401 1.00 0.00 O ATOM 0 H SER A 47 3.698 -10.156 4.982 1.00 0.00 H new ATOM 0 HA SER A 47 5.633 -8.590 3.412 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.731 -9.154 2.726 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.505 -7.671 2.204 1.00 0.00 H new ATOM 0 HG SER A 47 5.030 -9.946 1.728 1.00 0.00 H new ATOM 678 N ILE A 48 5.198 -6.826 5.080 1.00 0.00 N ATOM 679 CA ILE A 48 4.962 -5.718 5.997 1.00 0.00 C ATOM 680 C ILE A 48 3.644 -5.017 5.684 1.00 0.00 C ATOM 681 O ILE A 48 3.278 -4.851 4.521 1.00 0.00 O ATOM 682 CB ILE A 48 6.105 -4.687 5.941 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.440 -5.356 6.274 1.00 0.00 C ATOM 684 CG2 ILE A 48 5.829 -3.538 6.899 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.445 -6.065 7.610 1.00 0.00 C ATOM 0 H ILE A 48 6.168 -6.926 4.780 1.00 0.00 H new ATOM 0 HA ILE A 48 4.916 -6.143 7.000 1.00 0.00 H new ATOM 0 HB ILE A 48 6.163 -4.285 4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.683 -6.074 5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.226 -4.601 6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.646 -2.818 6.848 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.896 -3.049 6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.748 -3.923 7.915 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.423 -6.516 7.779 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.234 -5.348 8.403 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.682 -6.843 7.612 1.00 0.00 H new ATOM 697 N VAL A 49 2.936 -4.606 6.731 1.00 0.00 N ATOM 698 CA VAL A 49 1.660 -3.919 6.569 1.00 0.00 C ATOM 699 C VAL A 49 1.429 -2.916 7.693 1.00 0.00 C ATOM 700 O VAL A 49 1.846 -3.136 8.831 1.00 0.00 O ATOM 701 CB VAL A 49 0.487 -4.916 6.536 1.00 0.00 C ATOM 702 CG1 VAL A 49 0.191 -5.346 5.107 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.788 -6.122 7.412 1.00 0.00 C ATOM 0 H VAL A 49 3.224 -4.737 7.701 1.00 0.00 H new ATOM 0 HA VAL A 49 1.704 -3.389 5.617 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.399 -4.420 6.932 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.641 -6.050 5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.072 -4.472 4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.073 -5.824 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.052 -6.816 7.377 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.686 -6.621 7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.945 -5.795 8.440 1.00 0.00 H new ATOM 713 N ILE A 50 0.761 -1.814 7.368 1.00 0.00 N ATOM 714 CA ILE A 50 0.473 -0.778 8.351 1.00 0.00 C ATOM 715 C ILE A 50 -0.671 -1.194 9.269 1.00 0.00 C ATOM 716 O ILE A 50 -1.831 -1.221 8.859 1.00 0.00 O ATOM 717 CB ILE A 50 0.112 0.557 7.673 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.293 1.071 6.847 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.301 1.586 8.714 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.466 1.524 7.688 1.00 0.00 C ATOM 0 H ILE A 50 0.409 -1.616 6.431 1.00 0.00 H new ATOM 0 HA ILE A 50 1.379 -0.643 8.941 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.731 0.390 7.002 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.624 0.283 6.171 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.958 1.903 6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.553 2.524 8.219 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.169 1.221 9.262 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.523 1.752 9.408 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.266 1.875 7.037 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.151 2.334 8.346 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.827 0.689 8.289 1.00 0.00 H new ATOM 732 N SER A 51 -0.336 -1.516 10.515 1.00 0.00 N ATOM 733 CA SER A 51 -1.334 -1.933 11.492 1.00 0.00 C ATOM 734 C SER A 51 -1.800 -0.748 12.333 1.00 0.00 C ATOM 735 O SER A 51 -2.467 -0.921 13.353 1.00 0.00 O ATOM 736 CB SER A 51 -0.765 -3.025 12.400 1.00 0.00 C ATOM 737 OG SER A 51 -1.790 -3.638 13.164 1.00 0.00 O ATOM 0 H SER A 51 0.620 -1.496 10.871 1.00 0.00 H new ATOM 0 HA SER A 51 -2.192 -2.331 10.950 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.258 -3.777 11.796 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.018 -2.595 13.067 1.00 0.00 H new ATOM 0 HG SER A 51 -2.439 -2.960 13.444 1.00 0.00 H new ATOM 743 N ASP A 52 -1.442 0.455 11.897 1.00 0.00 N ATOM 744 CA ASP A 52 -1.823 1.670 12.607 1.00 0.00 C ATOM 745 C ASP A 52 -1.642 2.898 11.721 1.00 0.00 C ATOM 746 O ASP A 52 -0.583 3.095 11.124 1.00 0.00 O ATOM 747 CB ASP A 52 -0.995 1.820 13.884 1.00 0.00 C ATOM 748 CG ASP A 52 -1.697 2.658 14.934 1.00 0.00 C ATOM 749 OD1 ASP A 52 -2.413 3.609 14.555 1.00 0.00 O ATOM 750 OD2 ASP A 52 -1.532 2.363 16.136 1.00 0.00 O ATOM 0 H ASP A 52 -0.888 0.614 11.055 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.877 1.590 12.873 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.783 0.833 14.294 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.036 2.277 13.640 1.00 0.00 H new ATOM 755 N VAL A 53 -2.682 3.721 11.638 1.00 0.00 N ATOM 756 CA VAL A 53 -2.638 4.930 10.824 1.00 0.00 C ATOM 757 C VAL A 53 -3.175 6.131 11.594 1.00 0.00 C ATOM 758 O VAL A 53 -4.380 6.385 11.608 1.00 0.00 O ATOM 759 CB VAL A 53 -3.449 4.762 9.525 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.519 6.078 8.766 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.845 3.668 8.658 1.00 0.00 C ATOM 0 H VAL A 53 -3.566 3.573 12.125 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.592 5.103 10.571 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.465 4.467 9.787 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.096 5.940 7.851 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.001 6.832 9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.511 6.406 8.513 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.430 3.563 7.745 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.818 3.931 8.403 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.853 2.725 9.204 1.00 0.00 H new ATOM 771 N LEU A 54 -2.273 6.868 12.233 1.00 0.00 N ATOM 772 CA LEU A 54 -2.656 8.044 13.006 1.00 0.00 C ATOM 773 C LEU A 54 -3.836 8.762 12.358 1.00 0.00 C ATOM 774 O LEU A 54 -3.699 9.435 11.337 1.00 0.00 O ATOM 775 CB LEU A 54 -1.470 9.002 13.135 1.00 0.00 C ATOM 776 CG LEU A 54 -1.334 9.727 14.474 1.00 0.00 C ATOM 777 CD1 LEU A 54 -0.157 10.689 14.444 1.00 0.00 C ATOM 778 CD2 LEU A 54 -2.621 10.465 14.814 1.00 0.00 C ATOM 0 H LEU A 54 -1.272 6.672 12.231 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.958 7.712 14.000 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.554 8.440 12.955 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.546 9.750 12.346 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.149 8.984 15.250 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.076 11.196 15.406 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.761 10.135 14.248 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.310 11.427 13.657 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.506 10.975 15.770 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.837 11.197 14.036 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.443 9.752 14.880 1.00 0.00 H new ATOM 790 N PRO A 55 -5.023 8.617 12.966 1.00 0.00 N ATOM 791 CA PRO A 55 -6.249 9.246 12.467 1.00 0.00 C ATOM 792 C PRO A 55 -6.235 10.761 12.639 1.00 0.00 C ATOM 793 O PRO A 55 -7.220 11.438 12.346 1.00 0.00 O ATOM 794 CB PRO A 55 -7.346 8.619 13.331 1.00 0.00 C ATOM 795 CG PRO A 55 -6.655 8.217 14.588 1.00 0.00 C ATOM 796 CD PRO A 55 -5.259 7.828 14.187 1.00 0.00 C ATOM 0 HA PRO A 55 -6.385 9.083 11.398 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.148 9.330 13.530 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.798 7.760 12.835 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.641 9.038 15.305 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.170 7.384 15.067 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.536 8.067 14.966 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.179 6.758 13.996 1.00 0.00 H new ATOM 804 N GLY A 56 -5.112 11.287 13.117 1.00 0.00 N ATOM 805 CA GLY A 56 -4.991 12.719 13.320 1.00 0.00 C ATOM 806 C GLY A 56 -3.626 13.248 12.927 1.00 0.00 C ATOM 807 O GLY A 56 -3.264 14.371 13.274 1.00 0.00 O ATOM 0 H GLY A 56 -4.284 10.747 13.367 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.757 13.231 12.738 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.179 12.951 14.368 1.00 0.00 H new ATOM 811 N GLY A 57 -2.864 12.434 12.202 1.00 0.00 N ATOM 812 CA GLY A 57 -1.539 12.843 11.775 1.00 0.00 C ATOM 813 C GLY A 57 -1.406 12.897 10.266 1.00 0.00 C ATOM 814 O GLY A 57 -2.392 13.026 9.539 1.00 0.00 O ATOM 0 H GLY A 57 -3.141 11.499 11.903 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.313 13.825 12.192 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.801 12.149 12.177 1.00 0.00 H new ATOM 818 N PRO A 58 -0.163 12.798 9.774 1.00 0.00 N ATOM 819 CA PRO A 58 0.125 12.835 8.337 1.00 0.00 C ATOM 820 C PRO A 58 -0.365 11.585 7.615 1.00 0.00 C ATOM 821 O PRO A 58 -0.715 11.634 6.436 1.00 0.00 O ATOM 822 CB PRO A 58 1.652 12.920 8.283 1.00 0.00 C ATOM 823 CG PRO A 58 2.111 12.308 9.561 1.00 0.00 C ATOM 824 CD PRO A 58 1.059 12.643 10.582 1.00 0.00 C ATOM 0 HA PRO A 58 -0.379 13.665 7.842 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.048 12.382 7.422 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.988 13.953 8.196 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.225 11.229 9.458 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.082 12.705 9.857 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.953 11.852 11.324 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.301 13.557 11.124 1.00 0.00 H new ATOM 832 N ALA A 59 -0.388 10.465 8.331 1.00 0.00 N ATOM 833 CA ALA A 59 -0.838 9.202 7.759 1.00 0.00 C ATOM 834 C ALA A 59 -2.338 9.227 7.485 1.00 0.00 C ATOM 835 O ALA A 59 -2.807 8.664 6.495 1.00 0.00 O ATOM 836 CB ALA A 59 -0.488 8.048 8.687 1.00 0.00 C ATOM 0 H ALA A 59 -0.100 10.407 9.308 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.324 9.058 6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.830 7.111 8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.592 8.010 8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.975 8.196 9.651 1.00 0.00 H new ATOM 842 N ASP A 60 -3.085 9.881 8.368 1.00 0.00 N ATOM 843 CA ASP A 60 -4.533 9.979 8.220 1.00 0.00 C ATOM 844 C ASP A 60 -4.902 10.571 6.864 1.00 0.00 C ATOM 845 O ASP A 60 -4.954 11.789 6.700 1.00 0.00 O ATOM 846 CB ASP A 60 -5.124 10.834 9.342 1.00 0.00 C ATOM 847 CG ASP A 60 -6.364 11.587 8.903 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.411 10.938 8.699 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.287 12.826 8.763 1.00 0.00 O ATOM 0 H ASP A 60 -2.712 10.351 9.193 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.949 8.973 8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.371 10.195 10.190 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.373 11.545 9.687 1.00 0.00 H new ATOM 854 N GLY A 61 -5.157 9.699 5.892 1.00 0.00 N ATOM 855 CA GLY A 61 -5.516 10.155 4.562 1.00 0.00 C ATOM 856 C GLY A 61 -4.585 9.618 3.494 1.00 0.00 C ATOM 857 O GLY A 61 -5.031 9.017 2.516 1.00 0.00 O ATOM 0 H GLY A 61 -5.121 8.686 6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.537 9.846 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.501 11.245 4.538 1.00 0.00 H new ATOM 861 N LEU A 62 -3.288 9.836 3.679 1.00 0.00 N ATOM 862 CA LEU A 62 -2.290 9.371 2.721 1.00 0.00 C ATOM 863 C LEU A 62 -2.290 7.848 2.631 1.00 0.00 C ATOM 864 O LEU A 62 -2.473 7.280 1.554 1.00 0.00 O ATOM 865 CB LEU A 62 -0.900 9.869 3.121 1.00 0.00 C ATOM 866 CG LEU A 62 -0.695 11.384 3.089 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.651 11.754 3.692 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.804 11.907 1.664 1.00 0.00 C ATOM 0 H LEU A 62 -2.902 10.331 4.483 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.546 9.775 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.685 9.515 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.167 9.409 2.459 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.478 11.849 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.779 12.836 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.692 11.414 4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.448 11.278 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.655 12.987 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.043 11.434 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.792 11.675 1.266 1.00 0.00 H new ATOM 880 N LEU A 63 -2.087 7.193 3.768 1.00 0.00 N ATOM 881 CA LEU A 63 -2.066 5.736 3.819 1.00 0.00 C ATOM 882 C LEU A 63 -3.174 5.206 4.723 1.00 0.00 C ATOM 883 O LEU A 63 -3.859 5.976 5.396 1.00 0.00 O ATOM 884 CB LEU A 63 -0.706 5.243 4.317 1.00 0.00 C ATOM 885 CG LEU A 63 0.458 5.380 3.336 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.779 5.079 4.028 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.260 4.459 2.140 1.00 0.00 C ATOM 0 H LEU A 63 -1.934 7.648 4.668 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.235 5.360 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.455 5.789 5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.801 4.193 4.592 1.00 0.00 H new ATOM 0 HG LEU A 63 0.485 6.409 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.596 5.182 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.926 5.779 4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.763 4.061 4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.098 4.570 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.206 3.425 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.666 4.721 1.628 1.00 0.00 H new ATOM 899 N GLN A 64 -3.342 3.888 4.734 1.00 0.00 N ATOM 900 CA GLN A 64 -4.366 3.256 5.557 1.00 0.00 C ATOM 901 C GLN A 64 -3.854 1.949 6.156 1.00 0.00 C ATOM 902 O GLN A 64 -2.748 1.507 5.848 1.00 0.00 O ATOM 903 CB GLN A 64 -5.625 2.992 4.729 1.00 0.00 C ATOM 904 CG GLN A 64 -6.297 4.259 4.225 1.00 0.00 C ATOM 905 CD GLN A 64 -7.545 3.974 3.413 1.00 0.00 C ATOM 906 OE1 GLN A 64 -7.691 4.453 2.288 1.00 0.00 O ATOM 907 NE2 GLN A 64 -8.454 3.189 3.979 1.00 0.00 N ATOM 0 H GLN A 64 -2.783 3.237 4.183 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.612 3.937 6.372 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.364 2.365 3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.336 2.429 5.333 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.557 4.890 5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.591 4.822 3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.293 2.813 4.913 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.314 2.962 3.479 1.00 0.00 H new ATOM 916 N GLU A 65 -4.667 1.338 7.012 1.00 0.00 N ATOM 917 CA GLU A 65 -4.295 0.083 7.654 1.00 0.00 C ATOM 918 C GLU A 65 -4.345 -1.073 6.659 1.00 0.00 C ATOM 919 O GLU A 65 -5.179 -1.091 5.755 1.00 0.00 O ATOM 920 CB GLU A 65 -5.222 -0.206 8.836 1.00 0.00 C ATOM 921 CG GLU A 65 -4.538 -0.928 9.985 1.00 0.00 C ATOM 922 CD GLU A 65 -5.521 -1.622 10.906 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.507 -2.196 10.397 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.306 -1.593 12.136 1.00 0.00 O ATOM 0 H GLU A 65 -5.587 1.691 7.277 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.273 0.181 8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.633 0.735 9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.062 -0.807 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.841 -1.663 9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.950 -0.213 10.560 1.00 0.00 H new ATOM 931 N ASN A 66 -3.446 -2.036 6.833 1.00 0.00 N ATOM 932 CA ASN A 66 -3.387 -3.196 5.951 1.00 0.00 C ATOM 933 C ASN A 66 -2.858 -2.805 4.574 1.00 0.00 C ATOM 934 O ASN A 66 -3.204 -3.423 3.567 1.00 0.00 O ATOM 935 CB ASN A 66 -4.772 -3.831 5.816 1.00 0.00 C ATOM 936 CG ASN A 66 -5.470 -3.985 7.154 1.00 0.00 C ATOM 937 OD1 ASN A 66 -5.065 -4.794 7.989 1.00 0.00 O ATOM 938 ND2 ASN A 66 -6.526 -3.208 7.363 1.00 0.00 N ATOM 0 H ASN A 66 -2.748 -2.036 7.577 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.703 -3.922 6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.387 -3.218 5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.676 -4.809 5.345 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.037 -3.268 8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.827 -2.551 6.643 1.00 0.00 H new ATOM 945 N ASP A 67 -2.019 -1.776 4.539 1.00 0.00 N ATOM 946 CA ASP A 67 -1.440 -1.304 3.287 1.00 0.00 C ATOM 947 C ASP A 67 -0.202 -2.116 2.919 1.00 0.00 C ATOM 948 O ASP A 67 0.921 -1.741 3.256 1.00 0.00 O ATOM 949 CB ASP A 67 -1.080 0.179 3.394 1.00 0.00 C ATOM 950 CG ASP A 67 -2.278 1.083 3.182 1.00 0.00 C ATOM 951 OD1 ASP A 67 -3.403 0.667 3.527 1.00 0.00 O ATOM 952 OD2 ASP A 67 -2.090 2.207 2.669 1.00 0.00 O ATOM 0 H ASP A 67 -1.725 -1.253 5.363 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.183 -1.434 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.650 0.375 4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.314 0.418 2.657 1.00 0.00 H new ATOM 957 N ARG A 68 -0.416 -3.230 2.228 1.00 0.00 N ATOM 958 CA ARG A 68 0.682 -4.097 1.816 1.00 0.00 C ATOM 959 C ARG A 68 1.863 -3.274 1.308 1.00 0.00 C ATOM 960 O ARG A 68 1.919 -2.909 0.134 1.00 0.00 O ATOM 961 CB ARG A 68 0.216 -5.066 0.728 1.00 0.00 C ATOM 962 CG ARG A 68 -0.269 -6.401 1.269 1.00 0.00 C ATOM 963 CD ARG A 68 -1.480 -6.229 2.173 1.00 0.00 C ATOM 964 NE ARG A 68 -2.735 -6.325 1.431 1.00 0.00 N ATOM 965 CZ ARG A 68 -3.927 -6.095 1.970 1.00 0.00 C ATOM 966 NH1 ARG A 68 -4.026 -5.756 3.248 1.00 0.00 N ATOM 967 NH2 ARG A 68 -5.023 -6.202 1.230 1.00 0.00 N ATOM 0 H ARG A 68 -1.340 -3.554 1.941 1.00 0.00 H new ATOM 0 HA ARG A 68 1.006 -4.668 2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.588 -4.600 0.159 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.038 -5.242 0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.524 -7.060 0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.535 -6.884 1.824 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.461 -6.990 2.953 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.426 -5.261 2.671 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.693 -6.583 0.445 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.186 -5.671 3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.943 -5.580 3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.951 -6.461 0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.938 -6.025 1.645 1.00 0.00 H new ATOM 981 N VAL A 69 2.804 -2.985 2.201 1.00 0.00 N ATOM 982 CA VAL A 69 3.984 -2.206 1.843 1.00 0.00 C ATOM 983 C VAL A 69 4.863 -2.963 0.853 1.00 0.00 C ATOM 984 O VAL A 69 5.213 -4.122 1.077 1.00 0.00 O ATOM 985 CB VAL A 69 4.820 -1.850 3.086 1.00 0.00 C ATOM 986 CG1 VAL A 69 5.991 -0.957 2.705 1.00 0.00 C ATOM 987 CG2 VAL A 69 3.949 -1.181 4.139 1.00 0.00 C ATOM 0 H VAL A 69 2.772 -3.278 3.177 1.00 0.00 H new ATOM 0 HA VAL A 69 3.627 -1.287 1.379 1.00 0.00 H new ATOM 0 HB VAL A 69 5.220 -2.771 3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.570 -0.716 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.627 -1.477 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.616 -0.037 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.556 -0.936 5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.518 -0.268 3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.148 -1.859 4.433 1.00 0.00 H new ATOM 997 N VAL A 70 5.216 -2.300 -0.243 1.00 0.00 N ATOM 998 CA VAL A 70 6.056 -2.909 -1.268 1.00 0.00 C ATOM 999 C VAL A 70 7.448 -2.287 -1.279 1.00 0.00 C ATOM 1000 O VAL A 70 8.453 -2.988 -1.169 1.00 0.00 O ATOM 1001 CB VAL A 70 5.429 -2.763 -2.667 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.201 -3.587 -3.687 1.00 0.00 C ATOM 1003 CG2 VAL A 70 3.964 -3.170 -2.639 1.00 0.00 C ATOM 0 H VAL A 70 4.934 -1.341 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 70 6.137 -3.968 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 70 5.486 -1.716 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.743 -3.471 -4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.235 -3.243 -3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.179 -4.638 -3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.537 -3.061 -3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.881 -4.209 -2.321 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.423 -2.532 -1.940 1.00 0.00 H new ATOM 1013 N MET A 71 7.498 -0.965 -1.412 1.00 0.00 N ATOM 1014 CA MET A 71 8.768 -0.248 -1.435 1.00 0.00 C ATOM 1015 C MET A 71 8.725 0.964 -0.510 1.00 0.00 C ATOM 1016 O MET A 71 7.665 1.549 -0.286 1.00 0.00 O ATOM 1017 CB MET A 71 9.101 0.196 -2.861 1.00 0.00 C ATOM 1018 CG MET A 71 10.121 1.321 -2.925 1.00 0.00 C ATOM 1019 SD MET A 71 10.990 1.382 -4.503 1.00 0.00 S ATOM 1020 CE MET A 71 11.953 -0.126 -4.418 1.00 0.00 C ATOM 0 H MET A 71 6.675 -0.370 -1.505 1.00 0.00 H new ATOM 0 HA MET A 71 9.546 -0.925 -1.082 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.480 -0.660 -3.420 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.185 0.519 -3.355 1.00 0.00 H new ATOM 0 HG2 MET A 71 9.618 2.273 -2.755 1.00 0.00 H new ATOM 0 HG3 MET A 71 10.845 1.195 -2.120 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.835 -0.031 -5.052 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.264 -0.302 -3.388 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.347 -0.964 -4.762 1.00 0.00 H new ATOM 1030 N VAL A 72 9.883 1.336 0.025 1.00 0.00 N ATOM 1031 CA VAL A 72 9.977 2.479 0.926 1.00 0.00 C ATOM 1032 C VAL A 72 11.279 3.242 0.710 1.00 0.00 C ATOM 1033 O VAL A 72 12.349 2.793 1.120 1.00 0.00 O ATOM 1034 CB VAL A 72 9.889 2.041 2.400 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.098 3.231 3.324 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.554 1.368 2.676 1.00 0.00 C ATOM 0 H VAL A 72 10.770 0.863 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 72 9.134 3.132 0.699 1.00 0.00 H new ATOM 0 HB VAL A 72 10.681 1.318 2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.032 2.902 4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.081 3.664 3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.330 3.980 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.509 1.065 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.744 2.066 2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.451 0.490 2.039 1.00 0.00 H new ATOM 1046 N ASN A 73 11.180 4.400 0.065 1.00 0.00 N ATOM 1047 CA ASN A 73 12.351 5.227 -0.205 1.00 0.00 C ATOM 1048 C ASN A 73 13.354 4.481 -1.079 1.00 0.00 C ATOM 1049 O ASN A 73 14.560 4.705 -0.987 1.00 0.00 O ATOM 1050 CB ASN A 73 13.015 5.651 1.106 1.00 0.00 C ATOM 1051 CG ASN A 73 12.432 6.936 1.661 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.873 7.747 0.922 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.561 7.128 2.969 1.00 0.00 N ATOM 0 H ASN A 73 10.302 4.787 -0.280 1.00 0.00 H new ATOM 0 HA ASN A 73 12.021 6.117 -0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.900 4.855 1.842 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.085 5.782 0.943 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.189 7.975 3.399 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.032 6.429 3.543 1.00 0.00 H new ATOM 1060 N GLY A 74 12.846 3.592 -1.927 1.00 0.00 N ATOM 1061 CA GLY A 74 13.711 2.826 -2.805 1.00 0.00 C ATOM 1062 C GLY A 74 14.220 1.555 -2.154 1.00 0.00 C ATOM 1063 O GLY A 74 15.311 1.080 -2.470 1.00 0.00 O ATOM 0 H GLY A 74 11.851 3.389 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.167 2.572 -3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.559 3.443 -3.103 1.00 0.00 H new ATOM 1067 N THR A 75 13.428 1.002 -1.240 1.00 0.00 N ATOM 1068 CA THR A 75 13.806 -0.220 -0.541 1.00 0.00 C ATOM 1069 C THR A 75 12.652 -1.215 -0.513 1.00 0.00 C ATOM 1070 O THR A 75 11.537 -0.899 -0.097 1.00 0.00 O ATOM 1071 CB THR A 75 14.250 0.075 0.904 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.319 1.027 0.903 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.700 -1.200 1.602 1.00 0.00 C ATOM 0 H THR A 75 12.521 1.381 -0.967 1.00 0.00 H new ATOM 0 HA THR A 75 14.643 -0.653 -1.089 1.00 0.00 H new ATOM 0 HB THR A 75 13.399 0.486 1.446 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.982 0.775 1.580 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.009 -0.967 2.621 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.875 -1.912 1.627 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.539 -1.635 1.059 1.00 0.00 H new ATOM 1081 N PRO A 76 12.923 -2.449 -0.964 1.00 0.00 N ATOM 1082 CA PRO A 76 11.919 -3.517 -0.999 1.00 0.00 C ATOM 1083 C PRO A 76 11.542 -4.004 0.396 1.00 0.00 C ATOM 1084 O PRO A 76 12.393 -4.474 1.150 1.00 0.00 O ATOM 1085 CB PRO A 76 12.615 -4.632 -1.785 1.00 0.00 C ATOM 1086 CG PRO A 76 14.071 -4.388 -1.580 1.00 0.00 C ATOM 1087 CD PRO A 76 14.230 -2.896 -1.474 1.00 0.00 C ATOM 0 HA PRO A 76 10.983 -3.182 -1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.323 -5.616 -1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.352 -4.595 -2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.426 -4.883 -0.676 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.654 -4.785 -2.411 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.040 -2.625 -0.796 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.459 -2.447 -2.440 1.00 0.00 H new ATOM 1095 N MET A 77 10.261 -3.889 0.731 1.00 0.00 N ATOM 1096 CA MET A 77 9.772 -4.320 2.036 1.00 0.00 C ATOM 1097 C MET A 77 9.104 -5.688 1.941 1.00 0.00 C ATOM 1098 O MET A 77 8.408 -6.113 2.863 1.00 0.00 O ATOM 1099 CB MET A 77 8.785 -3.295 2.598 1.00 0.00 C ATOM 1100 CG MET A 77 9.259 -1.857 2.464 1.00 0.00 C ATOM 1101 SD MET A 77 10.291 -1.335 3.847 1.00 0.00 S ATOM 1102 CE MET A 77 11.917 -1.392 3.096 1.00 0.00 C ATOM 0 H MET A 77 9.544 -3.502 0.118 1.00 0.00 H new ATOM 0 HA MET A 77 10.626 -4.398 2.709 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.830 -3.403 2.084 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.607 -3.514 3.651 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.820 -1.748 1.536 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.394 -1.198 2.392 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.679 -1.358 3.875 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.022 -2.315 2.525 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.041 -0.538 2.431 1.00 0.00 H new ATOM 1112 N GLU A 78 9.320 -6.371 0.821 1.00 0.00 N ATOM 1113 CA GLU A 78 8.737 -7.691 0.607 1.00 0.00 C ATOM 1114 C GLU A 78 9.688 -8.788 1.075 1.00 0.00 C ATOM 1115 O GLU A 78 10.849 -8.833 0.668 1.00 0.00 O ATOM 1116 CB GLU A 78 8.399 -7.890 -0.872 1.00 0.00 C ATOM 1117 CG GLU A 78 9.573 -7.640 -1.803 1.00 0.00 C ATOM 1118 CD GLU A 78 9.429 -8.360 -3.129 1.00 0.00 C ATOM 1119 OE1 GLU A 78 8.959 -9.517 -3.129 1.00 0.00 O ATOM 1120 OE2 GLU A 78 9.787 -7.767 -4.168 1.00 0.00 O ATOM 0 H GLU A 78 9.894 -6.033 0.049 1.00 0.00 H new ATOM 0 HA GLU A 78 7.820 -7.755 1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.039 -8.908 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.582 -7.221 -1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.667 -6.569 -1.984 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.493 -7.963 -1.316 1.00 0.00 H new ATOM 1127 N ASP A 79 9.188 -9.670 1.933 1.00 0.00 N ATOM 1128 CA ASP A 79 9.992 -10.769 2.457 1.00 0.00 C ATOM 1129 C ASP A 79 11.188 -10.240 3.243 1.00 0.00 C ATOM 1130 O ASP A 79 12.313 -10.710 3.073 1.00 0.00 O ATOM 1131 CB ASP A 79 10.472 -11.666 1.316 1.00 0.00 C ATOM 1132 CG ASP A 79 10.636 -13.111 1.746 1.00 0.00 C ATOM 1133 OD1 ASP A 79 11.714 -13.455 2.275 1.00 0.00 O ATOM 1134 OD2 ASP A 79 9.686 -13.898 1.553 1.00 0.00 O ATOM 0 H ASP A 79 8.229 -9.646 2.281 1.00 0.00 H new ATOM 0 HA ASP A 79 9.368 -11.355 3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.760 -11.614 0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.424 -11.292 0.939 1.00 0.00 H new ATOM 1139 N VAL A 80 10.937 -9.258 4.103 1.00 0.00 N ATOM 1140 CA VAL A 80 11.992 -8.664 4.915 1.00 0.00 C ATOM 1141 C VAL A 80 11.665 -8.766 6.401 1.00 0.00 C ATOM 1142 O VAL A 80 10.571 -9.187 6.780 1.00 0.00 O ATOM 1143 CB VAL A 80 12.217 -7.185 4.550 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.487 -7.037 3.061 1.00 0.00 C ATOM 1145 CG2 VAL A 80 11.019 -6.346 4.969 1.00 0.00 C ATOM 0 H VAL A 80 10.012 -8.857 4.255 1.00 0.00 H new ATOM 0 HA VAL A 80 12.904 -9.224 4.707 1.00 0.00 H new ATOM 0 HB VAL A 80 13.092 -6.824 5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.643 -5.985 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.378 -7.606 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.634 -7.414 2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.194 -5.303 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.126 -6.705 4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.877 -6.427 6.047 1.00 0.00 H new ATOM 1155 N LEU A 81 12.620 -8.379 7.239 1.00 0.00 N ATOM 1156 CA LEU A 81 12.434 -8.425 8.685 1.00 0.00 C ATOM 1157 C LEU A 81 11.743 -7.161 9.186 1.00 0.00 C ATOM 1158 O LEU A 81 11.917 -6.080 8.622 1.00 0.00 O ATOM 1159 CB LEU A 81 13.783 -8.596 9.387 1.00 0.00 C ATOM 1160 CG LEU A 81 14.470 -9.949 9.201 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.852 -9.937 9.836 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.620 -11.065 9.789 1.00 0.00 C ATOM 0 H LEU A 81 13.531 -8.030 6.942 1.00 0.00 H new ATOM 0 HA LEU A 81 11.799 -9.280 8.918 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.457 -7.817 9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.638 -8.428 10.454 1.00 0.00 H new ATOM 0 HG LEU A 81 14.585 -10.133 8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.326 -10.908 9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.461 -9.164 9.368 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.761 -9.730 10.902 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.125 -12.020 9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.472 -10.887 10.854 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.652 -11.088 9.288 1.00 0.00 H new ATOM 1174 N HIS A 82 10.960 -7.304 10.251 1.00 0.00 N ATOM 1175 CA HIS A 82 10.245 -6.172 10.830 1.00 0.00 C ATOM 1176 C HIS A 82 11.201 -5.023 11.135 1.00 0.00 C ATOM 1177 O HIS A 82 10.853 -3.854 10.973 1.00 0.00 O ATOM 1178 CB HIS A 82 9.519 -6.600 12.107 1.00 0.00 C ATOM 1179 CG HIS A 82 8.940 -5.455 12.879 1.00 0.00 C ATOM 1180 ND1 HIS A 82 9.503 -4.300 13.306 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.628 -5.419 13.302 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 8.531 -3.595 13.971 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 7.409 -4.292 13.954 1.00 0.00 N flip ATOM 0 H HIS A 82 10.805 -8.191 10.730 1.00 0.00 H new ATOM 0 HA HIS A 82 9.511 -5.826 10.102 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.719 -7.293 11.846 1.00 0.00 H new ATOM 0 HB3 HIS A 82 10.215 -7.143 12.746 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.894 -6.192 13.127 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.662 -2.628 14.433 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.524 -4.008 14.373 1.00 0.00 H new ATOM 1192 N SER A 83 12.407 -5.365 11.579 1.00 0.00 N ATOM 1193 CA SER A 83 13.412 -4.362 11.911 1.00 0.00 C ATOM 1194 C SER A 83 13.934 -3.678 10.651 1.00 0.00 C ATOM 1195 O SER A 83 14.355 -2.522 10.687 1.00 0.00 O ATOM 1196 CB SER A 83 14.571 -5.004 12.674 1.00 0.00 C ATOM 1197 OG SER A 83 15.631 -4.083 12.862 1.00 0.00 O ATOM 0 H SER A 83 12.711 -6.329 11.717 1.00 0.00 H new ATOM 0 HA SER A 83 12.943 -3.609 12.544 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.220 -5.361 13.642 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.934 -5.874 12.126 1.00 0.00 H new ATOM 0 HG SER A 83 16.359 -4.518 13.354 1.00 0.00 H new ATOM 1203 N PHE A 84 13.904 -4.402 9.537 1.00 0.00 N ATOM 1204 CA PHE A 84 14.375 -3.868 8.265 1.00 0.00 C ATOM 1205 C PHE A 84 13.388 -2.849 7.703 1.00 0.00 C ATOM 1206 O PHE A 84 13.782 -1.800 7.196 1.00 0.00 O ATOM 1207 CB PHE A 84 14.585 -5.000 7.258 1.00 0.00 C ATOM 1208 CG PHE A 84 15.057 -4.527 5.912 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.392 -4.227 5.698 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.164 -4.382 4.863 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.829 -3.791 4.461 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.596 -3.947 3.624 1.00 0.00 C ATOM 1213 CZ PHE A 84 15.930 -3.650 3.423 1.00 0.00 C ATOM 0 H PHE A 84 13.558 -5.360 9.490 1.00 0.00 H new ATOM 0 HA PHE A 84 15.327 -3.367 8.441 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.312 -5.704 7.662 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.649 -5.544 7.135 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.100 -4.335 6.507 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.120 -4.611 5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.873 -3.561 4.307 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.891 -3.839 2.813 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.269 -3.308 2.456 1.00 0.00 H new ATOM 1223 N ALA A 85 12.101 -3.168 7.798 1.00 0.00 N ATOM 1224 CA ALA A 85 11.056 -2.281 7.301 1.00 0.00 C ATOM 1225 C ALA A 85 11.047 -0.961 8.065 1.00 0.00 C ATOM 1226 O ALA A 85 11.016 0.114 7.466 1.00 0.00 O ATOM 1227 CB ALA A 85 9.697 -2.959 7.400 1.00 0.00 C ATOM 0 H ALA A 85 11.757 -4.033 8.214 1.00 0.00 H new ATOM 0 HA ALA A 85 11.266 -2.063 6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.926 -2.285 7.026 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.702 -3.872 6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.489 -3.206 8.441 1.00 0.00 H new ATOM 1233 N VAL A 86 11.074 -1.050 9.391 1.00 0.00 N ATOM 1234 CA VAL A 86 11.070 0.138 10.236 1.00 0.00 C ATOM 1235 C VAL A 86 12.329 0.971 10.021 1.00 0.00 C ATOM 1236 O VAL A 86 12.268 2.198 9.957 1.00 0.00 O ATOM 1237 CB VAL A 86 10.964 -0.235 11.727 1.00 0.00 C ATOM 1238 CG1 VAL A 86 12.008 -1.279 12.093 1.00 0.00 C ATOM 1239 CG2 VAL A 86 11.109 1.004 12.597 1.00 0.00 C ATOM 0 H VAL A 86 11.099 -1.932 9.903 1.00 0.00 H new ATOM 0 HA VAL A 86 10.197 0.725 9.952 1.00 0.00 H new ATOM 0 HB VAL A 86 9.978 -0.664 11.907 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.917 -1.529 13.150 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.852 -2.176 11.493 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.004 -0.881 11.899 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.032 0.722 13.647 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.080 1.464 12.415 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.319 1.714 12.353 1.00 0.00 H new ATOM 1249 N GLN A 87 13.467 0.294 9.908 1.00 0.00 N ATOM 1250 CA GLN A 87 14.741 0.973 9.699 1.00 0.00 C ATOM 1251 C GLN A 87 14.585 2.135 8.725 1.00 0.00 C ATOM 1252 O GLN A 87 14.891 3.280 9.057 1.00 0.00 O ATOM 1253 CB GLN A 87 15.787 -0.012 9.174 1.00 0.00 C ATOM 1254 CG GLN A 87 17.212 0.352 9.558 1.00 0.00 C ATOM 1255 CD GLN A 87 17.665 -0.328 10.835 1.00 0.00 C ATOM 1256 OE1 GLN A 87 16.852 -0.645 11.705 1.00 0.00 O ATOM 1257 NE2 GLN A 87 18.967 -0.557 10.955 1.00 0.00 N ATOM 0 H GLN A 87 13.533 -0.723 9.958 1.00 0.00 H new ATOM 0 HA GLN A 87 15.075 1.370 10.658 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.560 -1.008 9.555 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.714 -0.062 8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.885 0.076 8.746 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.286 1.433 9.680 1.00 0.00 H new ATOM 0 HE21 GLN A 87 19.605 -0.278 10.210 1.00 0.00 H new ATOM 0 HE22 GLN A 87 19.330 -1.012 11.793 1.00 0.00 H new ATOM 1266 N GLN A 88 14.107 1.833 7.522 1.00 0.00 N ATOM 1267 CA GLN A 88 13.912 2.853 6.499 1.00 0.00 C ATOM 1268 C GLN A 88 13.142 4.045 7.059 1.00 0.00 C ATOM 1269 O GLN A 88 13.450 5.197 6.751 1.00 0.00 O ATOM 1270 CB GLN A 88 13.167 2.267 5.299 1.00 0.00 C ATOM 1271 CG GLN A 88 13.862 1.067 4.678 1.00 0.00 C ATOM 1272 CD GLN A 88 15.211 1.418 4.082 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.423 2.536 3.611 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.133 0.462 4.100 1.00 0.00 N ATOM 0 H GLN A 88 13.848 0.890 7.232 1.00 0.00 H new ATOM 0 HA GLN A 88 14.894 3.198 6.174 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.165 1.974 5.612 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.051 3.041 4.541 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.994 0.296 5.437 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.225 0.645 3.901 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.914 -0.450 4.500 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.060 0.640 3.713 1.00 0.00 H new ATOM 1283 N LEU A 89 12.139 3.760 7.883 1.00 0.00 N ATOM 1284 CA LEU A 89 11.324 4.809 8.486 1.00 0.00 C ATOM 1285 C LEU A 89 12.148 5.649 9.456 1.00 0.00 C ATOM 1286 O LEU A 89 12.127 6.879 9.400 1.00 0.00 O ATOM 1287 CB LEU A 89 10.127 4.196 9.214 1.00 0.00 C ATOM 1288 CG LEU A 89 9.286 3.205 8.408 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.128 2.683 9.245 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.772 3.857 7.132 1.00 0.00 C ATOM 0 H LEU A 89 11.871 2.812 8.148 1.00 0.00 H new ATOM 0 HA LEU A 89 10.963 5.458 7.688 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.491 3.690 10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.478 5.005 9.548 1.00 0.00 H new ATOM 0 HG LEU A 89 9.918 2.361 8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.541 1.979 8.655 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.517 2.179 10.130 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.495 3.516 9.551 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.176 3.138 6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.156 4.719 7.387 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.616 4.182 6.524 1.00 0.00 H new ATOM 1302 N ARG A 90 12.875 4.977 10.343 1.00 0.00 N ATOM 1303 CA ARG A 90 13.707 5.662 11.325 1.00 0.00 C ATOM 1304 C ARG A 90 14.936 6.278 10.661 1.00 0.00 C ATOM 1305 O ARG A 90 15.612 7.124 11.246 1.00 0.00 O ATOM 1306 CB ARG A 90 14.140 4.691 12.424 1.00 0.00 C ATOM 1307 CG ARG A 90 14.668 3.368 11.894 1.00 0.00 C ATOM 1308 CD ARG A 90 15.245 2.511 13.010 1.00 0.00 C ATOM 1309 NE ARG A 90 14.257 2.225 14.047 1.00 0.00 N ATOM 1310 CZ ARG A 90 14.575 1.844 15.279 1.00 0.00 C ATOM 1311 NH1 ARG A 90 15.846 1.703 15.626 1.00 0.00 N ATOM 1312 NH2 ARG A 90 13.619 1.602 16.167 1.00 0.00 N ATOM 0 H ARG A 90 12.905 3.959 10.402 1.00 0.00 H new ATOM 0 HA ARG A 90 13.116 6.463 11.770 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.912 5.164 13.031 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.292 4.497 13.081 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.863 2.827 11.397 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.436 3.556 11.144 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.615 1.574 12.593 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.099 3.022 13.454 1.00 0.00 H new ATOM 0 HE ARG A 90 13.269 2.323 13.812 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.584 1.887 14.946 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.087 1.410 16.573 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.639 1.709 15.904 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.864 1.309 17.113 1.00 0.00 H new ATOM 1326 N LYS A 91 15.219 5.846 9.437 1.00 0.00 N ATOM 1327 CA LYS A 91 16.365 6.354 8.692 1.00 0.00 C ATOM 1328 C LYS A 91 16.014 7.653 7.973 1.00 0.00 C ATOM 1329 O LYS A 91 16.833 8.568 7.890 1.00 0.00 O ATOM 1330 CB LYS A 91 16.844 5.311 7.680 1.00 0.00 C ATOM 1331 CG LYS A 91 17.597 4.152 8.311 1.00 0.00 C ATOM 1332 CD LYS A 91 17.799 3.015 7.323 1.00 0.00 C ATOM 1333 CE LYS A 91 19.035 3.235 6.465 1.00 0.00 C ATOM 1334 NZ LYS A 91 19.208 2.156 5.454 1.00 0.00 N ATOM 0 H LYS A 91 14.670 5.145 8.939 1.00 0.00 H new ATOM 0 HA LYS A 91 17.167 6.558 9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.983 4.921 7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.489 5.797 6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.566 4.499 8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.046 3.788 9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.894 2.074 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.921 2.928 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.959 4.198 5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.917 3.279 7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.061 2.343 4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.306 1.240 5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.378 2.130 4.828 1.00 0.00 H new ATOM 1348 N SER A 92 14.792 7.726 7.455 1.00 0.00 N ATOM 1349 CA SER A 92 14.335 8.912 6.741 1.00 0.00 C ATOM 1350 C SER A 92 14.424 10.149 7.629 1.00 0.00 C ATOM 1351 O SER A 92 14.208 10.076 8.838 1.00 0.00 O ATOM 1352 CB SER A 92 12.896 8.719 6.259 1.00 0.00 C ATOM 1353 OG SER A 92 12.614 9.553 5.148 1.00 0.00 O ATOM 0 H SER A 92 14.101 6.978 7.516 1.00 0.00 H new ATOM 0 HA SER A 92 14.984 9.059 5.878 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.738 7.676 5.984 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.204 8.943 7.071 1.00 0.00 H new ATOM 0 HG SER A 92 11.926 10.206 5.395 1.00 0.00 H new ATOM 1359 N GLY A 93 14.744 11.286 7.019 1.00 0.00 N ATOM 1360 CA GLY A 93 14.857 12.524 7.768 1.00 0.00 C ATOM 1361 C GLY A 93 13.511 13.051 8.224 1.00 0.00 C ATOM 1362 O GLY A 93 13.142 12.909 9.390 1.00 0.00 O ATOM 0 H GLY A 93 14.927 11.372 6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.494 12.362 8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.347 13.276 7.149 1.00 0.00 H new ATOM 1366 N LYS A 94 12.774 13.662 7.303 1.00 0.00 N ATOM 1367 CA LYS A 94 11.461 14.213 7.615 1.00 0.00 C ATOM 1368 C LYS A 94 10.402 13.672 6.659 1.00 0.00 C ATOM 1369 O LYS A 94 9.280 13.370 7.067 1.00 0.00 O ATOM 1370 CB LYS A 94 11.495 15.742 7.541 1.00 0.00 C ATOM 1371 CG LYS A 94 10.130 16.389 7.699 1.00 0.00 C ATOM 1372 CD LYS A 94 10.238 17.772 8.320 1.00 0.00 C ATOM 1373 CE LYS A 94 8.872 18.428 8.458 1.00 0.00 C ATOM 1374 NZ LYS A 94 8.954 19.735 9.167 1.00 0.00 N ATOM 0 H LYS A 94 13.064 13.788 6.333 1.00 0.00 H new ATOM 0 HA LYS A 94 11.200 13.910 8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.159 16.120 8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.921 16.042 6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.646 16.463 6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.497 15.758 8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.707 17.696 9.301 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.884 18.399 7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.439 18.578 7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.202 17.761 9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.003 20.150 9.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.343 19.589 10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.573 20.380 8.636 1.00 0.00 H new ATOM 1388 N ILE A 95 10.767 13.551 5.387 1.00 0.00 N ATOM 1389 CA ILE A 95 9.850 13.043 4.374 1.00 0.00 C ATOM 1390 C ILE A 95 10.239 11.635 3.936 1.00 0.00 C ATOM 1391 O ILE A 95 11.411 11.353 3.689 1.00 0.00 O ATOM 1392 CB ILE A 95 9.811 13.961 3.138 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.499 15.400 3.555 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.781 13.459 2.137 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.199 15.541 4.315 1.00 0.00 C ATOM 0 H ILE A 95 11.691 13.798 5.033 1.00 0.00 H new ATOM 0 HA ILE A 95 8.860 13.018 4.829 1.00 0.00 H new ATOM 0 HB ILE A 95 10.791 13.945 2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.314 15.775 4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.460 16.027 2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.766 14.118 1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.043 12.449 1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.796 13.449 2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.043 16.587 4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.374 15.197 3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.242 14.941 5.224 1.00 0.00 H new ATOM 1407 N ALA A 96 9.247 10.756 3.840 1.00 0.00 N ATOM 1408 CA ALA A 96 9.485 9.379 3.427 1.00 0.00 C ATOM 1409 C ALA A 96 8.501 8.953 2.342 1.00 0.00 C ATOM 1410 O ALA A 96 7.298 9.187 2.455 1.00 0.00 O ATOM 1411 CB ALA A 96 9.389 8.445 4.625 1.00 0.00 C ATOM 0 H ALA A 96 8.271 10.973 4.043 1.00 0.00 H new ATOM 0 HA ALA A 96 10.491 9.319 3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.569 7.420 4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.135 8.728 5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.394 8.518 5.064 1.00 0.00 H new ATOM 1417 N ALA A 97 9.021 8.327 1.291 1.00 0.00 N ATOM 1418 CA ALA A 97 8.188 7.868 0.187 1.00 0.00 C ATOM 1419 C ALA A 97 7.896 6.376 0.303 1.00 0.00 C ATOM 1420 O ALA A 97 8.812 5.553 0.317 1.00 0.00 O ATOM 1421 CB ALA A 97 8.860 8.174 -1.144 1.00 0.00 C ATOM 0 H ALA A 97 10.015 8.126 1.181 1.00 0.00 H new ATOM 0 HA ALA A 97 7.239 8.402 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.227 7.826 -1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.012 9.249 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.823 7.666 -1.190 1.00 0.00 H new ATOM 1427 N ILE A 98 6.614 6.034 0.388 1.00 0.00 N ATOM 1428 CA ILE A 98 6.202 4.640 0.503 1.00 0.00 C ATOM 1429 C ILE A 98 5.291 4.239 -0.652 1.00 0.00 C ATOM 1430 O ILE A 98 4.432 5.013 -1.077 1.00 0.00 O ATOM 1431 CB ILE A 98 5.472 4.377 1.833 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.384 4.713 3.015 1.00 0.00 C ATOM 1433 CG2 ILE A 98 5.012 2.929 1.908 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.685 4.647 4.355 1.00 0.00 C ATOM 0 H ILE A 98 5.844 6.703 0.379 1.00 0.00 H new ATOM 0 HA ILE A 98 7.111 4.039 0.471 1.00 0.00 H new ATOM 0 HB ILE A 98 4.593 5.020 1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.228 4.023 3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.792 5.714 2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.498 2.759 2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.332 2.720 1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.877 2.269 1.841 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.391 4.897 5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.858 5.357 4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.301 3.640 4.516 1.00 0.00 H new ATOM 1446 N VAL A 99 5.483 3.024 -1.156 1.00 0.00 N ATOM 1447 CA VAL A 99 4.676 2.519 -2.260 1.00 0.00 C ATOM 1448 C VAL A 99 3.884 1.285 -1.842 1.00 0.00 C ATOM 1449 O VAL A 99 4.413 0.173 -1.818 1.00 0.00 O ATOM 1450 CB VAL A 99 5.550 2.166 -3.478 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.685 1.708 -4.642 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.410 3.355 -3.878 1.00 0.00 C ATOM 0 H VAL A 99 6.190 2.372 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 99 3.984 3.315 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 99 6.211 1.344 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.320 1.463 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.117 0.826 -4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.997 2.506 -4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.021 3.088 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.769 4.198 -4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.057 3.632 -3.046 1.00 0.00 H new ATOM 1462 N VAL A 100 2.612 1.487 -1.514 1.00 0.00 N ATOM 1463 CA VAL A 100 1.746 0.391 -1.098 1.00 0.00 C ATOM 1464 C VAL A 100 0.731 0.050 -2.184 1.00 0.00 C ATOM 1465 O VAL A 100 0.525 0.822 -3.121 1.00 0.00 O ATOM 1466 CB VAL A 100 0.995 0.731 0.203 1.00 0.00 C ATOM 1467 CG1 VAL A 100 1.977 1.030 1.325 1.00 0.00 C ATOM 1468 CG2 VAL A 100 0.052 1.905 -0.018 1.00 0.00 C ATOM 0 H VAL A 100 2.158 2.400 -1.528 1.00 0.00 H new ATOM 0 HA VAL A 100 2.389 -0.471 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 100 0.400 -0.134 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.427 1.268 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.607 0.158 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.601 1.879 1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.471 2.132 0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.624 2.777 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.674 1.648 -0.789 1.00 0.00 H new ATOM 1478 N LYS A 101 0.098 -1.110 -2.051 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.898 -1.554 -3.019 1.00 0.00 C ATOM 1480 C LYS A 101 -2.193 -1.957 -2.321 1.00 0.00 C ATOM 1481 O LYS A 101 -2.196 -2.832 -1.455 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.358 -2.731 -3.834 1.00 0.00 C ATOM 1483 CG LYS A 101 0.063 -3.918 -2.984 1.00 0.00 C ATOM 1484 CD LYS A 101 0.677 -5.020 -3.830 1.00 0.00 C ATOM 1485 CE LYS A 101 0.779 -6.326 -3.056 1.00 0.00 C ATOM 1486 NZ LYS A 101 1.595 -7.338 -3.782 1.00 0.00 N ATOM 0 H LYS A 101 0.257 -1.760 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.111 -0.722 -3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.123 -3.054 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.496 -2.394 -4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.782 -3.592 -2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.803 -4.308 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.073 -5.172 -4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.669 -4.715 -4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.222 -6.135 -2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.221 -6.723 -2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.641 -8.213 -3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.159 -7.539 -4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.557 -6.969 -3.927 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.292 -1.315 -2.705 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.593 -1.607 -2.117 1.00 0.00 C ATOM 1502 C ARG A 102 -5.463 -2.401 -3.087 1.00 0.00 C ATOM 1503 O ARG A 102 -5.572 -2.075 -4.270 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.302 -0.310 -1.723 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.998 0.143 -0.304 1.00 0.00 C ATOM 1506 CD ARG A 102 -5.498 1.557 -0.053 1.00 0.00 C ATOM 1507 NE ARG A 102 -4.484 2.560 -0.367 1.00 0.00 N ATOM 1508 CZ ARG A 102 -4.599 3.846 -0.054 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -5.679 4.283 0.579 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -3.633 4.697 -0.374 1.00 0.00 N ATOM 0 H ARG A 102 -3.307 -0.589 -3.421 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.432 -2.210 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.011 0.478 -2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.378 -0.447 -1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -5.464 -0.541 0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.923 0.099 -0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.387 1.739 -0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.795 1.656 0.991 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.641 2.256 -0.854 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.424 3.631 0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.765 5.271 0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.801 4.364 -0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.722 5.684 -0.133 1.00 0.00 H new ATOM 1524 N PRO A 103 -6.098 -3.467 -2.578 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.969 -4.329 -3.382 1.00 0.00 C ATOM 1526 C PRO A 103 -8.262 -3.629 -3.786 1.00 0.00 C ATOM 1527 O PRO A 103 -9.051 -3.222 -2.934 1.00 0.00 O ATOM 1528 CB PRO A 103 -7.266 -5.504 -2.448 1.00 0.00 C ATOM 1529 CG PRO A 103 -7.099 -4.949 -1.076 1.00 0.00 C ATOM 1530 CD PRO A 103 -6.014 -3.913 -1.177 1.00 0.00 C ATOM 0 HA PRO A 103 -6.499 -4.622 -4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.276 -5.885 -2.600 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.582 -6.334 -2.625 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.029 -4.507 -0.718 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.826 -5.732 -0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.179 -3.089 -0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.035 -4.333 -0.947 1.00 0.00 H new