USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 684 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 59 ASN : amide:sc= 0.0662 K(o=0.28,f=-1.6) USER MOD Set 1.2: A 63 THR OG1 : rot -131:sc= 0.216 USER MOD Set 2.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 29 ASN : amide:sc= -4.19! C(o=-4.2!,f=-5.2!) USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= -0.0282 (180deg=-0.631) USER MOD Single : A 18 CYS SG : rot 81:sc= 1.08 USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.335 F(o=-1.2,f=-0.34) USER MOD Single : A 20 GLN : amide:sc= -0.711 K(o=-0.71,f=-1.9!) USER MOD Single : A 24 TYR OH : rot 60:sc= -0.469 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.892 K(o=-0.89,f=-2.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -176:sc= -0.114 (180deg=-0.15) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.05 X(o=-0.05,f=-0.05) USER MOD Single : A 62 THR OG1 : rot 158:sc= -0.427 USER MOD Single : A 66 ASN : amide:sc= -3.82! C(o=-3.8!,f=-7.7!) USER MOD Single : A 73 SER OG : rot -99:sc= 1.08 USER MOD Single : A 80 MET CE :methyl 163:sc= -2.89 (180deg=-3.78) USER MOD Single : A 83 SER OG : rot 180:sc= -0.632! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00316 USER MOD Single : A 88 LYS NZ :NH3+ -139:sc= 0.119 (180deg=0) USER MOD Single : A 92 SER OG : rot 171:sc= -1.19! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 156 N ALA A 12 -11.013 -2.606 4.192 1.00 0.00 N ATOM 157 CA ALA A 12 -10.252 -2.513 5.469 1.00 0.00 C ATOM 158 C ALA A 12 -8.793 -2.910 5.230 1.00 0.00 C ATOM 159 O ALA A 12 -7.888 -2.409 5.868 1.00 0.00 O ATOM 160 CB ALA A 12 -10.933 -3.508 6.410 1.00 0.00 C ATOM 0 HA ALA A 12 -10.249 -1.504 5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.429 -3.499 7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.978 -3.226 6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.879 -4.509 5.982 1.00 0.00 H new ATOM 166 N LEU A 13 -8.561 -3.818 4.318 1.00 0.00 N ATOM 167 CA LEU A 13 -7.164 -4.262 4.037 1.00 0.00 C ATOM 168 C LEU A 13 -6.369 -3.154 3.340 1.00 0.00 C ATOM 169 O LEU A 13 -5.233 -2.888 3.680 1.00 0.00 O ATOM 170 CB LEU A 13 -7.316 -5.472 3.113 1.00 0.00 C ATOM 171 CG LEU A 13 -5.944 -5.869 2.564 1.00 0.00 C ATOM 172 CD1 LEU A 13 -5.779 -7.387 2.651 1.00 0.00 C ATOM 173 CD2 LEU A 13 -5.834 -5.429 1.103 1.00 0.00 C ATOM 0 H LEU A 13 -9.280 -4.272 3.755 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.622 -4.504 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.757 -6.306 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.993 -5.234 2.293 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.164 -5.384 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.802 -7.670 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.859 -7.703 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.559 -7.872 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.857 -5.711 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.614 -5.914 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.952 -4.347 1.039 1.00 0.00 H new ATOM 185 N GLU A 14 -6.949 -2.507 2.365 1.00 0.00 N ATOM 186 CA GLU A 14 -6.208 -1.422 1.652 1.00 0.00 C ATOM 187 C GLU A 14 -5.970 -0.235 2.587 1.00 0.00 C ATOM 188 O GLU A 14 -4.953 0.427 2.516 1.00 0.00 O ATOM 189 CB GLU A 14 -7.101 -1.006 0.479 1.00 0.00 C ATOM 190 CG GLU A 14 -8.558 -0.963 0.919 1.00 0.00 C ATOM 191 CD GLU A 14 -9.161 0.398 0.564 1.00 0.00 C ATOM 192 OE1 GLU A 14 -9.044 0.795 -0.583 1.00 0.00 O ATOM 193 OE2 GLU A 14 -9.730 1.020 1.446 1.00 0.00 O ATOM 0 H GLU A 14 -7.897 -2.680 2.032 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.231 -1.763 1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.796 -0.027 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.983 -1.709 -0.345 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.120 -1.759 0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.629 -1.135 1.993 1.00 0.00 H new ATOM 200 N ALA A 15 -6.895 0.039 3.462 1.00 0.00 N ATOM 201 CA ALA A 15 -6.712 1.183 4.397 1.00 0.00 C ATOM 202 C ALA A 15 -5.428 0.994 5.208 1.00 0.00 C ATOM 203 O ALA A 15 -4.668 1.919 5.413 1.00 0.00 O ATOM 204 CB ALA A 15 -7.938 1.146 5.308 1.00 0.00 C ATOM 0 H ALA A 15 -7.768 -0.478 3.571 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.622 2.137 3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.880 1.961 6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.841 1.257 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.969 0.194 5.838 1.00 0.00 H new ATOM 210 N LYS A 16 -5.179 -0.202 5.666 1.00 0.00 N ATOM 211 CA LYS A 16 -3.942 -0.456 6.458 1.00 0.00 C ATOM 212 C LYS A 16 -2.711 -0.372 5.550 1.00 0.00 C ATOM 213 O LYS A 16 -1.683 0.152 5.928 1.00 0.00 O ATOM 214 CB LYS A 16 -4.107 -1.871 7.010 1.00 0.00 C ATOM 215 CG LYS A 16 -4.592 -1.799 8.460 1.00 0.00 C ATOM 216 CD LYS A 16 -5.956 -1.109 8.508 1.00 0.00 C ATOM 217 CE LYS A 16 -6.510 -1.171 9.933 1.00 0.00 C ATOM 218 NZ LYS A 16 -5.623 -0.279 10.729 1.00 0.00 N ATOM 0 H LYS A 16 -5.779 -1.015 5.526 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.802 0.275 7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.821 -2.429 6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.159 -2.406 6.958 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.665 -2.802 8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.873 -1.250 9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.862 -0.071 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.645 -1.594 7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.546 -0.833 9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.494 -2.190 10.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.122 0.030 11.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.761 -0.796 10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.366 0.553 10.160 1.00 0.00 H new ATOM 232 N ILE A 17 -2.809 -0.887 4.353 1.00 0.00 N ATOM 233 CA ILE A 17 -1.646 -0.837 3.422 1.00 0.00 C ATOM 234 C ILE A 17 -1.274 0.617 3.116 1.00 0.00 C ATOM 235 O ILE A 17 -0.118 0.989 3.136 1.00 0.00 O ATOM 236 CB ILE A 17 -2.125 -1.548 2.156 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.104 -3.062 2.384 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.200 -1.197 0.989 1.00 0.00 C ATOM 239 CD1 ILE A 17 -2.639 -3.774 1.140 1.00 0.00 C ATOM 0 H ILE A 17 -3.644 -1.340 3.981 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.758 -1.308 3.843 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.140 -1.227 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.088 -3.394 2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.712 -3.318 3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.543 -1.705 0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.213 -0.119 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.184 -1.517 1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.624 -4.852 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.662 -3.450 0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.013 -3.528 0.282 1.00 0.00 H new ATOM 251 N CYS A 18 -2.246 1.443 2.839 1.00 0.00 N ATOM 252 CA CYS A 18 -1.945 2.872 2.539 1.00 0.00 C ATOM 253 C CYS A 18 -1.405 3.564 3.792 1.00 0.00 C ATOM 254 O CYS A 18 -0.468 4.335 3.735 1.00 0.00 O ATOM 255 CB CYS A 18 -3.284 3.481 2.123 1.00 0.00 C ATOM 256 SG CYS A 18 -3.938 2.585 0.694 1.00 0.00 S ATOM 0 H CYS A 18 -3.234 1.191 2.807 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.191 2.984 1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.991 3.431 2.951 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.155 4.535 1.877 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.508 1.487 1.094 1.00 0.00 H new ATOM 262 N HIS A 19 -1.989 3.287 4.925 1.00 0.00 N ATOM 263 CA HIS A 19 -1.513 3.919 6.188 1.00 0.00 C ATOM 264 C HIS A 19 -0.040 3.581 6.422 1.00 0.00 C ATOM 265 O HIS A 19 0.719 4.390 6.917 1.00 0.00 O ATOM 266 CB HIS A 19 -2.387 3.317 7.289 1.00 0.00 C ATOM 267 CG HIS A 19 -3.682 4.076 7.374 1.00 0.00 C ATOM 268 ND1 HIS A 19 -4.559 4.505 6.409 1.00 0.00 N flip ATOM 269 CD2 HIS A 19 -4.219 4.489 8.583 1.00 0.00 C flip ATOM 270 CE1 HIS A 19 -5.624 5.173 7.006 1.00 0.00 C flip ATOM 271 NE2 HIS A 19 -5.369 5.135 8.317 1.00 0.00 N flip ATOM 0 H HIS A 19 -2.777 2.649 5.031 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.589 5.006 6.161 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.583 2.266 7.078 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.866 3.359 8.245 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.792 4.323 9.561 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.473 5.625 6.515 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -5.973 5.546 9.029 1.00 0.00 H new ATOM 279 N GLN A 20 0.374 2.394 6.071 1.00 0.00 N ATOM 280 CA GLN A 20 1.802 2.021 6.280 1.00 0.00 C ATOM 281 C GLN A 20 2.693 2.935 5.438 1.00 0.00 C ATOM 282 O GLN A 20 3.642 3.516 5.929 1.00 0.00 O ATOM 283 CB GLN A 20 1.911 0.573 5.803 1.00 0.00 C ATOM 284 CG GLN A 20 2.344 -0.318 6.968 1.00 0.00 C ATOM 285 CD GLN A 20 1.137 -0.617 7.858 1.00 0.00 C ATOM 286 OE1 GLN A 20 0.081 -0.970 7.372 1.00 0.00 O ATOM 287 NE2 GLN A 20 1.248 -0.489 9.153 1.00 0.00 N ATOM 0 H GLN A 20 -0.210 1.671 5.651 1.00 0.00 H new ATOM 0 HA GLN A 20 2.117 2.124 7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.952 0.235 5.410 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.632 0.501 4.989 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.770 -1.248 6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.123 0.177 7.548 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.134 -0.193 9.562 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.449 -0.685 9.755 1.00 0.00 H new ATOM 296 N ILE A 21 2.377 3.098 4.182 1.00 0.00 N ATOM 297 CA ILE A 21 3.199 4.001 3.334 1.00 0.00 C ATOM 298 C ILE A 21 3.189 5.390 3.965 1.00 0.00 C ATOM 299 O ILE A 21 4.171 6.105 3.952 1.00 0.00 O ATOM 300 CB ILE A 21 2.508 4.020 1.972 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.480 2.604 1.394 1.00 0.00 C ATOM 302 CG2 ILE A 21 3.282 4.940 1.029 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.901 2.176 1.022 1.00 0.00 C ATOM 0 H ILE A 21 1.592 2.648 3.711 1.00 0.00 H new ATOM 0 HA ILE A 21 4.236 3.678 3.239 1.00 0.00 H new ATOM 0 HB ILE A 21 1.487 4.385 2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.059 1.911 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.837 2.572 0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.793 4.957 0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.304 5.949 1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.302 4.571 0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.881 1.167 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.305 2.863 0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.531 2.192 1.912 1.00 0.00 H new ATOM 315 N GLU A 22 2.079 5.757 4.539 1.00 0.00 N ATOM 316 CA GLU A 22 1.977 7.080 5.206 1.00 0.00 C ATOM 317 C GLU A 22 2.997 7.165 6.344 1.00 0.00 C ATOM 318 O GLU A 22 3.536 8.212 6.631 1.00 0.00 O ATOM 319 CB GLU A 22 0.551 7.138 5.756 1.00 0.00 C ATOM 320 CG GLU A 22 -0.151 8.391 5.228 1.00 0.00 C ATOM 321 CD GLU A 22 -1.538 8.017 4.703 1.00 0.00 C ATOM 322 OE1 GLU A 22 -1.626 7.612 3.555 1.00 0.00 O ATOM 323 OE2 GLU A 22 -2.488 8.143 5.457 1.00 0.00 O ATOM 0 H GLU A 22 1.231 5.191 4.574 1.00 0.00 H new ATOM 0 HA GLU A 22 2.182 7.908 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.001 6.247 5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.571 7.152 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.239 9.133 6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.441 8.844 4.432 1.00 0.00 H new ATOM 330 N TYR A 23 3.251 6.070 7.010 1.00 0.00 N ATOM 331 CA TYR A 23 4.224 6.095 8.141 1.00 0.00 C ATOM 332 C TYR A 23 5.627 6.495 7.656 1.00 0.00 C ATOM 333 O TYR A 23 6.289 7.301 8.279 1.00 0.00 O ATOM 334 CB TYR A 23 4.222 4.668 8.695 1.00 0.00 C ATOM 335 CG TYR A 23 5.550 4.372 9.350 1.00 0.00 C ATOM 336 CD1 TYR A 23 5.873 4.955 10.581 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.458 3.516 8.723 1.00 0.00 C ATOM 338 CE1 TYR A 23 7.107 4.679 11.183 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.692 3.239 9.322 1.00 0.00 C ATOM 340 CZ TYR A 23 8.016 3.821 10.553 1.00 0.00 C ATOM 341 OH TYR A 23 9.233 3.549 11.146 1.00 0.00 O ATOM 0 H TYR A 23 2.828 5.161 6.820 1.00 0.00 H new ATOM 0 HA TYR A 23 3.948 6.828 8.899 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.415 4.550 9.418 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.036 3.956 7.891 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.171 5.617 11.066 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.207 3.067 7.773 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.357 5.128 12.133 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.393 2.577 8.835 1.00 0.00 H new ATOM 0 HH TYR A 23 9.744 2.935 10.578 1.00 0.00 H new ATOM 351 N TYR A 24 6.097 5.953 6.558 1.00 0.00 N ATOM 352 CA TYR A 24 7.466 6.347 6.088 1.00 0.00 C ATOM 353 C TYR A 24 7.419 7.719 5.416 1.00 0.00 C ATOM 354 O TYR A 24 8.340 8.505 5.516 1.00 0.00 O ATOM 355 CB TYR A 24 7.926 5.310 5.054 1.00 0.00 C ATOM 356 CG TYR A 24 7.265 3.976 5.271 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.852 3.027 6.116 1.00 0.00 C ATOM 358 CD2 TYR A 24 6.079 3.681 4.603 1.00 0.00 C ATOM 359 CE1 TYR A 24 7.241 1.780 6.294 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.469 2.439 4.776 1.00 0.00 C ATOM 361 CZ TYR A 24 6.048 1.486 5.623 1.00 0.00 C ATOM 362 OH TYR A 24 5.445 0.255 5.793 1.00 0.00 O ATOM 0 H TYR A 24 5.608 5.271 5.978 1.00 0.00 H new ATOM 0 HA TYR A 24 8.149 6.390 6.937 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.698 5.670 4.051 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.008 5.194 5.112 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.774 3.256 6.629 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.631 4.415 3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.689 1.046 6.948 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.550 2.212 4.257 1.00 0.00 H new ATOM 0 HH TYR A 24 5.223 0.128 6.739 1.00 0.00 H new ATOM 372 N PHE A 25 6.365 8.000 4.704 1.00 0.00 N ATOM 373 CA PHE A 25 6.273 9.313 3.993 1.00 0.00 C ATOM 374 C PHE A 25 5.474 10.337 4.805 1.00 0.00 C ATOM 375 O PHE A 25 5.579 11.524 4.581 1.00 0.00 O ATOM 376 CB PHE A 25 5.549 8.998 2.685 1.00 0.00 C ATOM 377 CG PHE A 25 6.523 8.408 1.694 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.012 7.109 1.881 1.00 0.00 C ATOM 379 CD2 PHE A 25 6.935 9.159 0.587 1.00 0.00 C ATOM 380 CE1 PHE A 25 7.914 6.562 0.961 1.00 0.00 C ATOM 381 CE2 PHE A 25 7.837 8.612 -0.333 1.00 0.00 C ATOM 382 CZ PHE A 25 8.326 7.313 -0.146 1.00 0.00 C ATOM 0 H PHE A 25 5.563 7.382 4.581 1.00 0.00 H new ATOM 0 HA PHE A 25 7.259 9.751 3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.734 8.298 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.104 9.905 2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.693 6.530 2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.557 10.160 0.443 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.292 5.561 1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.156 9.191 -1.187 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.021 6.891 -0.856 1.00 0.00 H new ATOM 392 N GLY A 26 4.648 9.886 5.708 1.00 0.00 N ATOM 393 CA GLY A 26 3.801 10.818 6.517 1.00 0.00 C ATOM 394 C GLY A 26 4.632 11.949 7.140 1.00 0.00 C ATOM 395 O GLY A 26 4.456 12.293 8.292 1.00 0.00 O ATOM 0 H GLY A 26 4.520 8.898 5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.023 11.245 5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.298 10.259 7.306 1.00 0.00 H new ATOM 399 N ASP A 27 5.514 12.547 6.390 1.00 0.00 N ATOM 400 CA ASP A 27 6.332 13.675 6.926 1.00 0.00 C ATOM 401 C ASP A 27 7.171 13.261 8.145 1.00 0.00 C ATOM 402 O ASP A 27 8.146 13.906 8.466 1.00 0.00 O ATOM 403 CB ASP A 27 5.310 14.740 7.326 1.00 0.00 C ATOM 404 CG ASP A 27 5.046 15.666 6.138 1.00 0.00 C ATOM 405 OD1 ASP A 27 5.319 15.257 5.021 1.00 0.00 O ATOM 406 OD2 ASP A 27 4.575 16.769 6.364 1.00 0.00 O ATOM 0 H ASP A 27 5.706 12.302 5.419 1.00 0.00 H new ATOM 0 HA ASP A 27 7.048 14.026 6.183 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.381 14.266 7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.682 15.316 8.174 1.00 0.00 H new ATOM 411 N PHE A 28 6.807 12.219 8.842 1.00 0.00 N ATOM 412 CA PHE A 28 7.610 11.828 10.038 1.00 0.00 C ATOM 413 C PHE A 28 8.862 11.049 9.631 1.00 0.00 C ATOM 414 O PHE A 28 9.953 11.329 10.085 1.00 0.00 O ATOM 415 CB PHE A 28 6.675 10.944 10.864 1.00 0.00 C ATOM 416 CG PHE A 28 7.434 10.360 12.031 1.00 0.00 C ATOM 417 CD1 PHE A 28 8.524 11.050 12.574 1.00 0.00 C ATOM 418 CD2 PHE A 28 7.044 9.128 12.572 1.00 0.00 C ATOM 419 CE1 PHE A 28 9.226 10.508 13.657 1.00 0.00 C ATOM 420 CE2 PHE A 28 7.747 8.587 13.655 1.00 0.00 C ATOM 421 CZ PHE A 28 8.838 9.276 14.197 1.00 0.00 C ATOM 0 H PHE A 28 6.000 11.628 8.640 1.00 0.00 H new ATOM 0 HA PHE A 28 7.959 12.698 10.594 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.828 11.528 11.223 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.270 10.145 10.243 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.823 12.000 12.157 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.202 8.596 12.154 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.067 11.040 14.076 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.447 7.637 14.073 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.381 8.857 15.032 1.00 0.00 H new ATOM 431 N ASN A 29 8.709 10.058 8.804 1.00 0.00 N ATOM 432 CA ASN A 29 9.882 9.235 8.388 1.00 0.00 C ATOM 433 C ASN A 29 10.743 9.946 7.336 1.00 0.00 C ATOM 434 O ASN A 29 11.939 9.758 7.281 1.00 0.00 O ATOM 435 CB ASN A 29 9.275 7.962 7.811 1.00 0.00 C ATOM 436 CG ASN A 29 9.495 6.802 8.784 1.00 0.00 C ATOM 437 OD1 ASN A 29 10.147 5.831 8.454 1.00 0.00 O ATOM 438 ND2 ASN A 29 8.975 6.863 9.980 1.00 0.00 N ATOM 0 H ASN A 29 7.818 9.778 8.394 1.00 0.00 H new ATOM 0 HA ASN A 29 10.549 9.043 9.229 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.209 8.104 7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.731 7.734 6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.116 6.096 10.637 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.428 7.678 10.257 1.00 0.00 H new ATOM 445 N LEU A 30 10.149 10.725 6.478 1.00 0.00 N ATOM 446 CA LEU A 30 10.945 11.400 5.404 1.00 0.00 C ATOM 447 C LEU A 30 12.075 12.261 5.987 1.00 0.00 C ATOM 448 O LEU A 30 13.187 12.226 5.498 1.00 0.00 O ATOM 449 CB LEU A 30 9.932 12.282 4.672 1.00 0.00 C ATOM 450 CG LEU A 30 9.680 11.727 3.268 1.00 0.00 C ATOM 451 CD1 LEU A 30 9.555 10.203 3.329 1.00 0.00 C ATOM 452 CD2 LEU A 30 8.382 12.321 2.715 1.00 0.00 C ATOM 0 H LEU A 30 9.149 10.927 6.469 1.00 0.00 H new ATOM 0 HA LEU A 30 11.429 10.674 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.997 12.319 5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.306 13.304 4.607 1.00 0.00 H new ATOM 0 HG LEU A 30 10.514 11.994 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.376 9.812 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.477 9.778 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.723 9.932 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.199 11.928 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.552 12.052 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.470 13.406 2.668 1.00 0.00 H new ATOM 464 N PRO A 31 11.758 13.013 7.000 1.00 0.00 N ATOM 465 CA PRO A 31 12.770 13.899 7.636 1.00 0.00 C ATOM 466 C PRO A 31 13.966 13.098 8.169 1.00 0.00 C ATOM 467 O PRO A 31 14.991 13.659 8.502 1.00 0.00 O ATOM 468 CB PRO A 31 12.015 14.559 8.790 1.00 0.00 C ATOM 469 CG PRO A 31 10.564 14.355 8.492 1.00 0.00 C ATOM 470 CD PRO A 31 10.448 13.120 7.640 1.00 0.00 C ATOM 0 HA PRO A 31 13.184 14.618 6.929 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.286 14.108 9.744 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.255 15.620 8.859 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.995 14.239 9.415 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.154 15.220 7.971 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.223 12.239 8.241 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.650 13.215 6.904 1.00 0.00 H new ATOM 478 N ARG A 32 13.854 11.800 8.267 1.00 0.00 N ATOM 479 CA ARG A 32 15.004 11.003 8.795 1.00 0.00 C ATOM 480 C ARG A 32 15.117 9.646 8.088 1.00 0.00 C ATOM 481 O ARG A 32 16.033 8.886 8.338 1.00 0.00 O ATOM 482 CB ARG A 32 14.688 10.803 10.278 1.00 0.00 C ATOM 483 CG ARG A 32 15.942 11.076 11.110 1.00 0.00 C ATOM 484 CD ARG A 32 15.667 10.728 12.575 1.00 0.00 C ATOM 485 NE ARG A 32 16.645 11.539 13.354 1.00 0.00 N ATOM 486 CZ ARG A 32 16.632 11.505 14.659 1.00 0.00 C ATOM 487 NH1 ARG A 32 15.762 10.760 15.285 1.00 0.00 N ATOM 488 NH2 ARG A 32 17.489 12.217 15.337 1.00 0.00 N ATOM 0 H ARG A 32 13.028 11.261 8.008 1.00 0.00 H new ATOM 0 HA ARG A 32 15.954 11.511 8.631 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.884 11.473 10.583 1.00 0.00 H new ATOM 0 HB3 ARG A 32 14.338 9.785 10.452 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.777 10.484 10.735 1.00 0.00 H new ATOM 0 HG3 ARG A 32 16.229 12.124 11.022 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.642 10.972 12.853 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.802 9.662 12.760 1.00 0.00 H new ATOM 0 HE ARG A 32 17.326 12.122 12.867 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.092 10.204 14.755 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.753 10.734 16.305 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.168 12.800 14.848 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.480 12.191 16.357 1.00 0.00 H new ATOM 502 N ASP A 33 14.186 9.316 7.239 1.00 0.00 N ATOM 503 CA ASP A 33 14.233 7.990 6.557 1.00 0.00 C ATOM 504 C ASP A 33 15.500 7.839 5.708 1.00 0.00 C ATOM 505 O ASP A 33 15.570 8.299 4.586 1.00 0.00 O ATOM 506 CB ASP A 33 12.994 7.965 5.664 1.00 0.00 C ATOM 507 CG ASP A 33 11.900 7.134 6.334 1.00 0.00 C ATOM 508 OD1 ASP A 33 11.890 7.077 7.553 1.00 0.00 O ATOM 509 OD2 ASP A 33 11.091 6.568 5.618 1.00 0.00 O ATOM 0 H ASP A 33 13.393 9.906 6.986 1.00 0.00 H new ATOM 0 HA ASP A 33 14.250 7.172 7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.638 8.980 5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.242 7.542 4.691 1.00 0.00 H new ATOM 514 N LYS A 34 16.491 7.176 6.239 1.00 0.00 N ATOM 515 CA LYS A 34 17.752 6.962 5.468 1.00 0.00 C ATOM 516 C LYS A 34 17.517 5.907 4.391 1.00 0.00 C ATOM 517 O LYS A 34 17.909 6.057 3.251 1.00 0.00 O ATOM 518 CB LYS A 34 18.779 6.459 6.485 1.00 0.00 C ATOM 519 CG LYS A 34 18.598 7.192 7.814 1.00 0.00 C ATOM 520 CD LYS A 34 18.778 8.695 7.595 1.00 0.00 C ATOM 521 CE LYS A 34 19.338 9.334 8.868 1.00 0.00 C ATOM 522 NZ LYS A 34 20.345 10.322 8.389 1.00 0.00 N ATOM 0 H LYS A 34 16.483 6.772 7.175 1.00 0.00 H new ATOM 0 HA LYS A 34 18.092 7.873 4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.661 5.386 6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.788 6.620 6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.608 6.989 8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 34 19.323 6.830 8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.454 8.873 6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.823 9.152 7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.551 9.820 9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.795 8.587 9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.775 10.803 9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 21.085 9.830 7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.880 11.024 7.779 1.00 0.00 H new ATOM 536 N PHE A 35 16.874 4.835 4.757 1.00 0.00 N ATOM 537 CA PHE A 35 16.596 3.747 3.773 1.00 0.00 C ATOM 538 C PHE A 35 15.686 4.269 2.658 1.00 0.00 C ATOM 539 O PHE A 35 15.809 3.893 1.509 1.00 0.00 O ATOM 540 CB PHE A 35 15.897 2.650 4.584 1.00 0.00 C ATOM 541 CG PHE A 35 14.397 2.726 4.385 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.652 3.723 5.028 1.00 0.00 C ATOM 543 CD2 PHE A 35 13.754 1.796 3.560 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.266 3.789 4.846 1.00 0.00 C ATOM 545 CE2 PHE A 35 12.367 1.863 3.378 1.00 0.00 C ATOM 546 CZ PHE A 35 11.624 2.860 4.021 1.00 0.00 C ATOM 0 H PHE A 35 16.526 4.662 5.700 1.00 0.00 H new ATOM 0 HA PHE A 35 17.501 3.376 3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 35 16.263 1.671 4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.137 2.761 5.641 1.00 0.00 H new ATOM 0 HD1 PHE A 35 14.148 4.441 5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.327 1.027 3.064 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.692 4.557 5.343 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.871 1.145 2.742 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.555 2.912 3.880 1.00 0.00 H new ATOM 556 N LEU A 36 14.775 5.136 2.996 1.00 0.00 N ATOM 557 CA LEU A 36 13.851 5.695 1.973 1.00 0.00 C ATOM 558 C LEU A 36 14.595 6.704 1.099 1.00 0.00 C ATOM 559 O LEU A 36 14.358 6.814 -0.088 1.00 0.00 O ATOM 560 CB LEU A 36 12.759 6.388 2.778 1.00 0.00 C ATOM 561 CG LEU A 36 11.428 6.264 2.044 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.547 6.907 0.661 1.00 0.00 C ATOM 563 CD2 LEU A 36 11.064 4.785 1.888 1.00 0.00 C ATOM 0 H LEU A 36 14.630 5.484 3.944 1.00 0.00 H new ATOM 0 HA LEU A 36 13.447 4.932 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.683 5.940 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.010 7.439 2.922 1.00 0.00 H new ATOM 0 HG LEU A 36 10.651 6.770 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.596 6.819 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.805 7.960 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.325 6.401 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.113 4.698 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.841 4.277 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.979 4.325 2.873 1.00 0.00 H new ATOM 575 N LYS A 37 15.502 7.433 1.683 1.00 0.00 N ATOM 576 CA LYS A 37 16.280 8.430 0.895 1.00 0.00 C ATOM 577 C LYS A 37 17.084 7.713 -0.193 1.00 0.00 C ATOM 578 O LYS A 37 17.331 8.250 -1.253 1.00 0.00 O ATOM 579 CB LYS A 37 17.213 9.097 1.905 1.00 0.00 C ATOM 580 CG LYS A 37 17.280 10.600 1.624 1.00 0.00 C ATOM 581 CD LYS A 37 18.347 10.874 0.561 1.00 0.00 C ATOM 582 CE LYS A 37 18.530 12.384 0.397 1.00 0.00 C ATOM 583 NZ LYS A 37 19.603 12.531 -0.625 1.00 0.00 N ATOM 0 H LYS A 37 15.740 7.382 2.674 1.00 0.00 H new ATOM 0 HA LYS A 37 15.642 9.159 0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.854 8.922 2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.209 8.659 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.310 10.960 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.516 11.142 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 37 19.291 10.412 0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.052 10.428 -0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.606 12.861 0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.815 12.852 1.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.786 13.541 -0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.472 12.073 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.301 12.082 -1.513 1.00 0.00 H new ATOM 597 N GLU A 38 17.491 6.498 0.065 1.00 0.00 N ATOM 598 CA GLU A 38 18.273 5.742 -0.954 1.00 0.00 C ATOM 599 C GLU A 38 17.364 5.350 -2.123 1.00 0.00 C ATOM 600 O GLU A 38 17.690 5.565 -3.273 1.00 0.00 O ATOM 601 CB GLU A 38 18.777 4.496 -0.226 1.00 0.00 C ATOM 602 CG GLU A 38 20.297 4.573 -0.074 1.00 0.00 C ATOM 603 CD GLU A 38 20.717 3.876 1.221 1.00 0.00 C ATOM 604 OE1 GLU A 38 20.623 2.662 1.275 1.00 0.00 O ATOM 605 OE2 GLU A 38 21.126 4.570 2.138 1.00 0.00 O ATOM 0 H GLU A 38 17.315 5.998 0.937 1.00 0.00 H new ATOM 0 HA GLU A 38 19.093 6.329 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.306 4.419 0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.502 3.600 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.783 4.100 -0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 38 20.619 5.614 -0.060 1.00 0.00 H new ATOM 612 N GLN A 39 16.223 4.787 -1.836 1.00 0.00 N ATOM 613 CA GLN A 39 15.292 4.395 -2.932 1.00 0.00 C ATOM 614 C GLN A 39 14.771 5.652 -3.629 1.00 0.00 C ATOM 615 O GLN A 39 14.652 5.703 -4.838 1.00 0.00 O ATOM 616 CB GLN A 39 14.150 3.648 -2.239 1.00 0.00 C ATOM 617 CG GLN A 39 14.717 2.467 -1.450 1.00 0.00 C ATOM 618 CD GLN A 39 15.621 1.631 -2.358 1.00 0.00 C ATOM 619 OE1 GLN A 39 15.430 1.595 -3.558 1.00 0.00 O ATOM 620 NE2 GLN A 39 16.604 0.953 -1.833 1.00 0.00 N ATOM 0 H GLN A 39 15.895 4.582 -0.892 1.00 0.00 H new ATOM 0 HA GLN A 39 15.771 3.776 -3.691 1.00 0.00 H new ATOM 0 HB2 GLN A 39 13.614 4.322 -1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.432 3.294 -2.978 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.282 2.828 -0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.905 1.852 -1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 39 16.764 0.983 -0.826 1.00 0.00 H new ATOM 0 HE22 GLN A 39 17.213 0.392 -2.429 1.00 0.00 H new ATOM 629 N ILE A 40 14.473 6.671 -2.873 1.00 0.00 N ATOM 630 CA ILE A 40 13.975 7.933 -3.486 1.00 0.00 C ATOM 631 C ILE A 40 15.107 8.596 -4.272 1.00 0.00 C ATOM 632 O ILE A 40 14.896 9.179 -5.318 1.00 0.00 O ATOM 633 CB ILE A 40 13.546 8.806 -2.305 1.00 0.00 C ATOM 634 CG1 ILE A 40 12.115 8.444 -1.903 1.00 0.00 C ATOM 635 CG2 ILE A 40 13.602 10.282 -2.705 1.00 0.00 C ATOM 636 CD1 ILE A 40 11.634 9.401 -0.810 1.00 0.00 C ATOM 0 H ILE A 40 14.553 6.684 -1.856 1.00 0.00 H new ATOM 0 HA ILE A 40 13.151 7.771 -4.181 1.00 0.00 H new ATOM 0 HB ILE A 40 14.220 8.635 -1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.456 8.504 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.076 7.416 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 40 13.296 10.900 -1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 40 14.620 10.542 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.930 10.457 -3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.614 9.143 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.287 9.319 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.658 10.424 -1.186 1.00 0.00 H new ATOM 648 N LYS A 41 16.311 8.503 -3.775 1.00 0.00 N ATOM 649 CA LYS A 41 17.466 9.119 -4.488 1.00 0.00 C ATOM 650 C LYS A 41 17.846 8.270 -5.705 1.00 0.00 C ATOM 651 O LYS A 41 18.302 8.779 -6.709 1.00 0.00 O ATOM 652 CB LYS A 41 18.603 9.132 -3.466 1.00 0.00 C ATOM 653 CG LYS A 41 19.926 9.427 -4.175 1.00 0.00 C ATOM 654 CD LYS A 41 19.912 10.861 -4.711 1.00 0.00 C ATOM 655 CE LYS A 41 21.306 11.229 -5.222 1.00 0.00 C ATOM 656 NZ LYS A 41 21.107 12.470 -6.022 1.00 0.00 N ATOM 0 H LYS A 41 16.544 8.026 -2.904 1.00 0.00 H new ATOM 0 HA LYS A 41 17.240 10.120 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.411 9.887 -2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.658 8.170 -2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.758 9.294 -3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.076 8.723 -4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.182 10.953 -5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.607 11.551 -3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.997 11.398 -4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.727 10.429 -5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.020 12.785 -6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.450 12.277 -6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.712 13.215 -5.414 1.00 0.00 H new ATOM 670 N LEU A 42 17.657 6.980 -5.623 1.00 0.00 N ATOM 671 CA LEU A 42 18.005 6.099 -6.776 1.00 0.00 C ATOM 672 C LEU A 42 17.594 6.773 -8.088 1.00 0.00 C ATOM 673 O LEU A 42 18.412 7.329 -8.795 1.00 0.00 O ATOM 674 CB LEU A 42 17.201 4.817 -6.555 1.00 0.00 C ATOM 675 CG LEU A 42 18.146 3.615 -6.556 1.00 0.00 C ATOM 676 CD1 LEU A 42 17.674 2.593 -5.522 1.00 0.00 C ATOM 677 CD2 LEU A 42 18.152 2.972 -7.944 1.00 0.00 C ATOM 0 H LEU A 42 17.277 6.498 -4.808 1.00 0.00 H new ATOM 0 HA LEU A 42 19.075 5.899 -6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.665 4.870 -5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.452 4.705 -7.339 1.00 0.00 H new ATOM 0 HG LEU A 42 19.154 3.946 -6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 42 18.348 1.736 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 42 17.671 3.051 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 42 16.666 2.262 -5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 42 18.826 2.115 -7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 42 17.144 2.642 -8.196 1.00 0.00 H new ATOM 0 HD23 LEU A 42 18.490 3.700 -8.681 1.00 0.00 H new ATOM 689 N ASP A 43 16.331 6.741 -8.411 1.00 0.00 N ATOM 690 CA ASP A 43 15.866 7.392 -9.669 1.00 0.00 C ATOM 691 C ASP A 43 15.501 8.852 -9.381 1.00 0.00 C ATOM 692 O ASP A 43 16.356 9.665 -9.091 1.00 0.00 O ATOM 693 CB ASP A 43 14.635 6.594 -10.107 1.00 0.00 C ATOM 694 CG ASP A 43 13.712 6.369 -8.908 1.00 0.00 C ATOM 695 OD1 ASP A 43 12.931 7.259 -8.611 1.00 0.00 O ATOM 696 OD2 ASP A 43 13.801 5.311 -8.306 1.00 0.00 O ATOM 0 H ASP A 43 15.600 6.292 -7.859 1.00 0.00 H new ATOM 0 HA ASP A 43 16.629 7.397 -10.448 1.00 0.00 H new ATOM 0 HB2 ASP A 43 14.103 7.131 -10.892 1.00 0.00 H new ATOM 0 HB3 ASP A 43 14.941 5.636 -10.527 1.00 0.00 H new ATOM 701 N GLU A 44 14.243 9.194 -9.442 1.00 0.00 N ATOM 702 CA GLU A 44 13.840 10.599 -9.153 1.00 0.00 C ATOM 703 C GLU A 44 12.934 10.627 -7.921 1.00 0.00 C ATOM 704 O GLU A 44 12.272 11.608 -7.642 1.00 0.00 O ATOM 705 CB GLU A 44 13.077 11.061 -10.395 1.00 0.00 C ATOM 706 CG GLU A 44 13.857 10.663 -11.650 1.00 0.00 C ATOM 707 CD GLU A 44 15.160 11.462 -11.715 1.00 0.00 C ATOM 708 OE1 GLU A 44 15.881 11.464 -10.730 1.00 0.00 O ATOM 709 OE2 GLU A 44 15.415 12.058 -12.748 1.00 0.00 O ATOM 0 H GLU A 44 13.478 8.562 -9.679 1.00 0.00 H new ATOM 0 HA GLU A 44 14.692 11.246 -8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.084 10.612 -10.413 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.937 12.142 -10.368 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.073 9.595 -11.633 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.257 10.853 -12.540 1.00 0.00 H new ATOM 716 N GLY A 45 12.899 9.549 -7.184 1.00 0.00 N ATOM 717 CA GLY A 45 12.037 9.497 -5.970 1.00 0.00 C ATOM 718 C GLY A 45 10.904 8.497 -6.196 1.00 0.00 C ATOM 719 O GLY A 45 9.743 8.844 -6.162 1.00 0.00 O ATOM 0 H GLY A 45 13.432 8.700 -7.372 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.628 9.204 -5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.628 10.485 -5.758 1.00 0.00 H new ATOM 723 N TRP A 46 11.231 7.255 -6.422 1.00 0.00 N ATOM 724 CA TRP A 46 10.168 6.236 -6.646 1.00 0.00 C ATOM 725 C TRP A 46 10.532 4.927 -5.942 1.00 0.00 C ATOM 726 O TRP A 46 11.451 4.235 -6.335 1.00 0.00 O ATOM 727 CB TRP A 46 10.127 6.019 -8.159 1.00 0.00 C ATOM 728 CG TRP A 46 9.403 7.148 -8.825 1.00 0.00 C ATOM 729 CD1 TRP A 46 9.984 8.085 -9.608 1.00 0.00 C ATOM 730 CD2 TRP A 46 7.979 7.465 -8.793 1.00 0.00 C ATOM 731 NE1 TRP A 46 9.011 8.957 -10.061 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.759 8.617 -9.586 1.00 0.00 C ATOM 733 CE3 TRP A 46 6.869 6.874 -8.161 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.483 9.161 -9.747 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.585 7.420 -8.321 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.393 8.560 -9.113 1.00 0.00 C ATOM 0 H TRP A 46 12.187 6.902 -6.461 1.00 0.00 H new ATOM 0 HA TRP A 46 9.206 6.562 -6.251 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.142 5.947 -8.551 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.630 5.075 -8.385 1.00 0.00 H new ATOM 0 HD1 TRP A 46 11.037 8.143 -9.842 1.00 0.00 H new ATOM 0 HE1 TRP A 46 9.195 9.754 -10.671 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.006 5.995 -7.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 6.340 10.040 -10.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.741 6.959 -7.831 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.403 8.974 -9.233 1.00 0.00 H new ATOM 747 N VAL A 47 9.815 4.575 -4.912 1.00 0.00 N ATOM 748 CA VAL A 47 10.115 3.303 -4.195 1.00 0.00 C ATOM 749 C VAL A 47 9.108 2.230 -4.616 1.00 0.00 C ATOM 750 O VAL A 47 7.921 2.482 -4.666 1.00 0.00 O ATOM 751 CB VAL A 47 9.962 3.637 -2.711 1.00 0.00 C ATOM 752 CG1 VAL A 47 10.514 2.486 -1.868 1.00 0.00 C ATOM 753 CG2 VAL A 47 10.737 4.917 -2.395 1.00 0.00 C ATOM 0 H VAL A 47 9.034 5.112 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 47 11.110 2.918 -4.418 1.00 0.00 H new ATOM 0 HB VAL A 47 8.907 3.783 -2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 47 10.405 2.725 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.962 1.573 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 47 11.569 2.339 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.629 5.156 -1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.792 4.771 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.344 5.738 -2.995 1.00 0.00 H new ATOM 763 N PRO A 48 9.617 1.065 -4.924 1.00 0.00 N ATOM 764 CA PRO A 48 8.763 -0.050 -5.364 1.00 0.00 C ATOM 765 C PRO A 48 8.216 -0.819 -4.164 1.00 0.00 C ATOM 766 O PRO A 48 8.769 -0.788 -3.082 1.00 0.00 O ATOM 767 CB PRO A 48 9.706 -0.941 -6.167 1.00 0.00 C ATOM 768 CG PRO A 48 11.094 -0.410 -5.941 1.00 0.00 C ATOM 769 CD PRO A 48 11.016 0.669 -4.893 1.00 0.00 C ATOM 0 HA PRO A 48 7.900 0.289 -5.938 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.630 -1.978 -5.841 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.451 -0.920 -7.226 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.759 -1.210 -5.616 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.505 -0.011 -6.868 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.307 0.297 -3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.676 1.505 -5.126 1.00 0.00 H new ATOM 777 N LEU A 49 7.124 -1.498 -4.350 1.00 0.00 N ATOM 778 CA LEU A 49 6.524 -2.262 -3.217 1.00 0.00 C ATOM 779 C LEU A 49 7.427 -3.432 -2.817 1.00 0.00 C ATOM 780 O LEU A 49 7.132 -4.154 -1.887 1.00 0.00 O ATOM 781 CB LEU A 49 5.185 -2.791 -3.738 1.00 0.00 C ATOM 782 CG LEU A 49 4.506 -1.734 -4.613 1.00 0.00 C ATOM 783 CD1 LEU A 49 3.053 -2.138 -4.861 1.00 0.00 C ATOM 784 CD2 LEU A 49 4.545 -0.380 -3.902 1.00 0.00 C ATOM 0 H LEU A 49 6.618 -1.560 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 49 6.401 -1.633 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.345 -3.703 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.538 -3.052 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 49 5.031 -1.658 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.568 -1.387 -5.484 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.025 -3.103 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.529 -2.213 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.062 0.372 -4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.020 -0.454 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.581 -0.092 -3.724 1.00 0.00 H new ATOM 796 N GLU A 50 8.534 -3.618 -3.485 1.00 0.00 N ATOM 797 CA GLU A 50 9.433 -4.741 -3.090 1.00 0.00 C ATOM 798 C GLU A 50 10.069 -4.398 -1.745 1.00 0.00 C ATOM 799 O GLU A 50 10.260 -5.244 -0.894 1.00 0.00 O ATOM 800 CB GLU A 50 10.495 -4.879 -4.187 1.00 0.00 C ATOM 801 CG GLU A 50 11.053 -3.514 -4.587 1.00 0.00 C ATOM 802 CD GLU A 50 11.109 -3.421 -6.113 1.00 0.00 C ATOM 803 OE1 GLU A 50 10.127 -3.776 -6.745 1.00 0.00 O ATOM 804 OE2 GLU A 50 12.133 -2.998 -6.624 1.00 0.00 O ATOM 0 H GLU A 50 8.851 -3.053 -4.273 1.00 0.00 H new ATOM 0 HA GLU A 50 8.895 -5.683 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.305 -5.518 -3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.060 -5.367 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.425 -2.719 -4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.049 -3.377 -4.166 1.00 0.00 H new ATOM 811 N ILE A 51 10.366 -3.148 -1.548 1.00 0.00 N ATOM 812 CA ILE A 51 10.960 -2.705 -0.254 1.00 0.00 C ATOM 813 C ILE A 51 9.882 -2.744 0.833 1.00 0.00 C ATOM 814 O ILE A 51 10.138 -3.069 1.975 1.00 0.00 O ATOM 815 CB ILE A 51 11.400 -1.258 -0.499 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.711 -1.223 -1.289 1.00 0.00 C ATOM 817 CG2 ILE A 51 11.604 -0.554 0.842 1.00 0.00 C ATOM 818 CD1 ILE A 51 12.791 -2.437 -2.208 1.00 0.00 C ATOM 0 H ILE A 51 10.223 -2.405 -2.232 1.00 0.00 H new ATOM 0 HA ILE A 51 11.788 -3.337 0.069 1.00 0.00 H new ATOM 0 HB ILE A 51 10.626 -0.750 -1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.768 -0.306 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 51 13.559 -1.217 -0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.917 0.476 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.669 -0.559 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.372 -1.075 1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.725 -2.408 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.754 -3.348 -1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.951 -2.424 -2.902 1.00 0.00 H new ATOM 830 N MET A 52 8.671 -2.426 0.466 1.00 0.00 N ATOM 831 CA MET A 52 7.549 -2.450 1.449 1.00 0.00 C ATOM 832 C MET A 52 7.068 -3.886 1.680 1.00 0.00 C ATOM 833 O MET A 52 6.788 -4.290 2.791 1.00 0.00 O ATOM 834 CB MET A 52 6.444 -1.610 0.809 1.00 0.00 C ATOM 835 CG MET A 52 6.468 -0.198 1.401 1.00 0.00 C ATOM 836 SD MET A 52 8.115 0.519 1.185 1.00 0.00 S ATOM 837 CE MET A 52 7.983 1.785 2.473 1.00 0.00 C ATOM 0 H MET A 52 8.408 -2.148 -0.480 1.00 0.00 H new ATOM 0 HA MET A 52 7.848 -2.060 2.422 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.586 -1.566 -0.271 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.473 -2.073 0.984 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.721 0.426 0.911 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.210 -0.232 2.460 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.880 2.404 2.468 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.110 2.409 2.282 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.879 1.305 3.446 1.00 0.00 H new ATOM 847 N ILE A 53 6.938 -4.649 0.627 1.00 0.00 N ATOM 848 CA ILE A 53 6.437 -6.047 0.765 1.00 0.00 C ATOM 849 C ILE A 53 7.389 -6.909 1.602 1.00 0.00 C ATOM 850 O ILE A 53 6.970 -7.865 2.222 1.00 0.00 O ATOM 851 CB ILE A 53 6.335 -6.574 -0.672 1.00 0.00 C ATOM 852 CG1 ILE A 53 4.874 -6.517 -1.126 1.00 0.00 C ATOM 853 CG2 ILE A 53 6.831 -8.019 -0.749 1.00 0.00 C ATOM 854 CD1 ILE A 53 4.283 -5.149 -0.780 1.00 0.00 C ATOM 0 H ILE A 53 7.158 -4.362 -0.327 1.00 0.00 H new ATOM 0 HA ILE A 53 5.479 -6.081 1.285 1.00 0.00 H new ATOM 0 HB ILE A 53 6.954 -5.954 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.809 -6.691 -2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.300 -7.306 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.751 -8.377 -1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.872 -8.064 -0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.224 -8.647 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.243 -5.110 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.334 -4.993 0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.851 -4.369 -1.287 1.00 0.00 H new ATOM 866 N LYS A 54 8.658 -6.602 1.640 1.00 0.00 N ATOM 867 CA LYS A 54 9.584 -7.440 2.454 1.00 0.00 C ATOM 868 C LYS A 54 9.755 -6.832 3.848 1.00 0.00 C ATOM 869 O LYS A 54 9.972 -7.529 4.818 1.00 0.00 O ATOM 870 CB LYS A 54 10.910 -7.420 1.693 1.00 0.00 C ATOM 871 CG LYS A 54 11.622 -8.763 1.871 1.00 0.00 C ATOM 872 CD LYS A 54 12.220 -8.841 3.277 1.00 0.00 C ATOM 873 CE LYS A 54 11.473 -9.899 4.093 1.00 0.00 C ATOM 874 NZ LYS A 54 12.255 -10.035 5.353 1.00 0.00 N ATOM 0 H LYS A 54 9.089 -5.818 1.150 1.00 0.00 H new ATOM 0 HA LYS A 54 9.211 -8.455 2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.731 -7.229 0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.540 -6.611 2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.920 -9.582 1.717 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.408 -8.872 1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.279 -9.092 3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.149 -7.871 3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.448 -9.590 4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.420 -10.847 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.805 -10.744 5.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.225 -10.337 5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.282 -9.119 5.845 1.00 0.00 H new ATOM 888 N PHE A 55 9.654 -5.537 3.953 1.00 0.00 N ATOM 889 CA PHE A 55 9.807 -4.883 5.284 1.00 0.00 C ATOM 890 C PHE A 55 8.743 -5.412 6.250 1.00 0.00 C ATOM 891 O PHE A 55 7.559 -5.334 5.989 1.00 0.00 O ATOM 892 CB PHE A 55 9.610 -3.390 5.020 1.00 0.00 C ATOM 893 CG PHE A 55 10.957 -2.706 4.988 1.00 0.00 C ATOM 894 CD1 PHE A 55 11.916 -3.011 5.961 1.00 0.00 C ATOM 895 CD2 PHE A 55 11.251 -1.772 3.984 1.00 0.00 C ATOM 896 CE1 PHE A 55 13.167 -2.382 5.934 1.00 0.00 C ATOM 897 CE2 PHE A 55 12.502 -1.145 3.958 1.00 0.00 C ATOM 898 CZ PHE A 55 13.460 -1.450 4.933 1.00 0.00 C ATOM 0 H PHE A 55 9.472 -4.902 3.176 1.00 0.00 H new ATOM 0 HA PHE A 55 10.777 -5.084 5.739 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.092 -3.242 4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.985 -2.951 5.798 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.691 -3.732 6.733 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.513 -1.537 3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.906 -2.617 6.686 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.729 -0.425 3.185 1.00 0.00 H new ATOM 0 HZ PHE A 55 14.425 -0.966 4.912 1.00 0.00 H new ATOM 908 N ASN A 56 9.157 -5.956 7.362 1.00 0.00 N ATOM 909 CA ASN A 56 8.171 -6.498 8.342 1.00 0.00 C ATOM 910 C ASN A 56 7.174 -5.412 8.756 1.00 0.00 C ATOM 911 O ASN A 56 6.083 -5.700 9.209 1.00 0.00 O ATOM 912 CB ASN A 56 9.011 -6.941 9.540 1.00 0.00 C ATOM 913 CG ASN A 56 9.923 -8.096 9.124 1.00 0.00 C ATOM 914 OD1 ASN A 56 11.129 -7.953 9.096 1.00 0.00 O ATOM 915 ND2 ASN A 56 9.395 -9.244 8.797 1.00 0.00 N ATOM 0 H ASN A 56 10.135 -6.049 7.635 1.00 0.00 H new ATOM 0 HA ASN A 56 7.585 -7.318 7.926 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.608 -6.106 9.908 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.361 -7.253 10.358 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.995 -10.020 8.518 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.382 -9.365 8.820 1.00 0.00 H new ATOM 922 N ARG A 57 7.535 -4.168 8.607 1.00 0.00 N ATOM 923 CA ARG A 57 6.603 -3.071 8.994 1.00 0.00 C ATOM 924 C ARG A 57 5.330 -3.134 8.145 1.00 0.00 C ATOM 925 O ARG A 57 4.250 -2.821 8.606 1.00 0.00 O ATOM 926 CB ARG A 57 7.372 -1.778 8.718 1.00 0.00 C ATOM 927 CG ARG A 57 7.633 -1.048 10.037 1.00 0.00 C ATOM 928 CD ARG A 57 7.557 0.463 9.809 1.00 0.00 C ATOM 929 NE ARG A 57 6.294 0.888 10.475 1.00 0.00 N ATOM 930 CZ ARG A 57 6.252 1.026 11.773 1.00 0.00 C ATOM 931 NH1 ARG A 57 7.315 0.788 12.491 1.00 0.00 N ATOM 932 NH2 ARG A 57 5.144 1.401 12.352 1.00 0.00 N ATOM 0 H ARG A 57 8.434 -3.863 8.234 1.00 0.00 H new ATOM 0 HA ARG A 57 6.292 -3.143 10.036 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.316 -2.003 8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.801 -1.140 8.044 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.899 -1.351 10.784 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.614 -1.319 10.426 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.420 0.971 10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.543 0.702 8.746 1.00 0.00 H new ATOM 0 HE ARG A 57 5.461 1.072 9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.181 0.494 12.039 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.281 0.896 13.505 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.313 1.586 11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.110 1.509 13.366 1.00 0.00 H new ATOM 946 N LEU A 58 5.448 -3.534 6.909 1.00 0.00 N ATOM 947 CA LEU A 58 4.244 -3.616 6.032 1.00 0.00 C ATOM 948 C LEU A 58 3.924 -5.076 5.701 1.00 0.00 C ATOM 949 O LEU A 58 2.777 -5.457 5.577 1.00 0.00 O ATOM 950 CB LEU A 58 4.625 -2.850 4.764 1.00 0.00 C ATOM 951 CG LEU A 58 3.360 -2.484 3.987 1.00 0.00 C ATOM 952 CD1 LEU A 58 3.555 -1.130 3.303 1.00 0.00 C ATOM 953 CD2 LEU A 58 3.085 -3.554 2.928 1.00 0.00 C ATOM 0 H LEU A 58 6.326 -3.808 6.467 1.00 0.00 H new ATOM 0 HA LEU A 58 3.358 -3.200 6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.178 -1.948 5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.282 -3.459 4.143 1.00 0.00 H new ATOM 0 HG LEU A 58 2.516 -2.426 4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.653 -0.869 2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.752 -0.367 4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.399 -1.188 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.183 -3.294 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.929 -3.612 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.946 -4.520 3.414 1.00 0.00 H new ATOM 965 N ASN A 59 4.929 -5.894 5.554 1.00 0.00 N ATOM 966 CA ASN A 59 4.684 -7.329 5.227 1.00 0.00 C ATOM 967 C ASN A 59 3.840 -7.990 6.321 1.00 0.00 C ATOM 968 O ASN A 59 3.196 -8.996 6.098 1.00 0.00 O ATOM 969 CB ASN A 59 6.074 -7.964 5.166 1.00 0.00 C ATOM 970 CG ASN A 59 5.940 -9.487 5.169 1.00 0.00 C ATOM 971 OD1 ASN A 59 5.092 -10.037 4.494 1.00 0.00 O ATOM 972 ND2 ASN A 59 6.747 -10.199 5.907 1.00 0.00 N ATOM 0 H ASN A 59 5.910 -5.632 5.646 1.00 0.00 H new ATOM 0 HA ASN A 59 4.138 -7.449 4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.596 -7.636 4.267 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.671 -7.639 6.018 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.666 -11.216 5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.459 -9.739 6.474 1.00 0.00 H new ATOM 979 N ARG A 60 3.840 -7.435 7.502 1.00 0.00 N ATOM 980 CA ARG A 60 3.040 -8.035 8.608 1.00 0.00 C ATOM 981 C ARG A 60 1.545 -7.985 8.274 1.00 0.00 C ATOM 982 O ARG A 60 0.727 -8.561 8.965 1.00 0.00 O ATOM 983 CB ARG A 60 3.343 -7.169 9.831 1.00 0.00 C ATOM 984 CG ARG A 60 3.540 -8.066 11.056 1.00 0.00 C ATOM 985 CD ARG A 60 2.457 -7.760 12.093 1.00 0.00 C ATOM 986 NE ARG A 60 3.132 -7.914 13.412 1.00 0.00 N ATOM 987 CZ ARG A 60 3.402 -9.106 13.872 1.00 0.00 C ATOM 988 NH1 ARG A 60 3.082 -10.165 13.177 1.00 0.00 N ATOM 989 NH2 ARG A 60 3.995 -9.239 15.027 1.00 0.00 N ATOM 0 H ARG A 60 4.359 -6.592 7.749 1.00 0.00 H new ATOM 0 HA ARG A 60 3.292 -9.082 8.775 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.239 -6.574 9.655 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.525 -6.470 10.007 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.492 -9.115 10.763 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.528 -7.900 11.486 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.063 -6.752 11.967 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.615 -8.445 11.998 1.00 0.00 H new ATOM 0 HE ARG A 60 3.383 -7.088 13.956 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.620 -10.062 12.273 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.294 -11.095 13.538 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.247 -8.413 15.569 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.206 -10.169 15.388 1.00 0.00 H new ATOM 1003 N LEU A 61 1.181 -7.303 7.223 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.263 -7.220 6.853 1.00 0.00 C ATOM 1005 C LEU A 61 -0.494 -7.831 5.468 1.00 0.00 C ATOM 1006 O LEU A 61 -1.031 -8.913 5.338 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.583 -5.725 6.842 1.00 0.00 C ATOM 1008 CG LEU A 61 -1.892 -5.478 7.592 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -1.662 -4.439 8.692 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -2.950 -4.958 6.616 1.00 0.00 C ATOM 0 H LEU A 61 1.818 -6.800 6.605 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.899 -7.768 7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.227 -5.165 7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.667 -5.368 5.816 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.235 -6.411 8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.595 -4.263 9.227 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.909 -4.807 9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.318 -3.506 8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.883 -4.782 7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.606 -4.025 6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.115 -5.696 5.831 1.00 0.00 H new ATOM 1022 N THR A 62 -0.095 -7.145 4.431 1.00 0.00 N ATOM 1023 CA THR A 62 -0.295 -7.688 3.056 1.00 0.00 C ATOM 1024 C THR A 62 1.004 -7.588 2.252 1.00 0.00 C ATOM 1025 O THR A 62 1.767 -6.653 2.402 1.00 0.00 O ATOM 1026 CB THR A 62 -1.380 -6.806 2.435 1.00 0.00 C ATOM 1027 OG1 THR A 62 -2.638 -7.133 3.006 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.426 -7.037 0.924 1.00 0.00 C ATOM 0 H THR A 62 0.360 -6.233 4.476 1.00 0.00 H new ATOM 0 HA THR A 62 -0.581 -8.740 3.066 1.00 0.00 H new ATOM 0 HB THR A 62 -1.154 -5.758 2.632 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.253 -6.378 2.896 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.199 -6.408 0.483 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.460 -6.784 0.488 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.652 -8.084 0.723 1.00 0.00 H new ATOM 1036 N THR A 63 1.261 -8.542 1.400 1.00 0.00 N ATOM 1037 CA THR A 63 2.512 -8.498 0.589 1.00 0.00 C ATOM 1038 C THR A 63 2.206 -8.812 -0.878 1.00 0.00 C ATOM 1039 O THR A 63 3.087 -8.830 -1.715 1.00 0.00 O ATOM 1040 CB THR A 63 3.415 -9.576 1.191 1.00 0.00 C ATOM 1041 OG1 THR A 63 2.811 -10.099 2.366 1.00 0.00 O ATOM 1042 CG2 THR A 63 4.773 -8.967 1.542 1.00 0.00 C ATOM 0 H THR A 63 0.661 -9.349 1.230 1.00 0.00 H new ATOM 0 HA THR A 63 2.981 -7.514 0.611 1.00 0.00 H new ATOM 0 HB THR A 63 3.554 -10.379 0.467 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.469 -10.116 3.092 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.416 -9.735 1.971 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.237 -8.567 0.640 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.635 -8.164 2.266 1.00 0.00 H new ATOM 1050 N ASP A 64 0.965 -9.058 -1.197 1.00 0.00 N ATOM 1051 CA ASP A 64 0.607 -9.369 -2.611 1.00 0.00 C ATOM 1052 C ASP A 64 0.618 -8.090 -3.452 1.00 0.00 C ATOM 1053 O ASP A 64 -0.298 -7.293 -3.401 1.00 0.00 O ATOM 1054 CB ASP A 64 -0.805 -9.952 -2.543 1.00 0.00 C ATOM 1055 CG ASP A 64 -0.732 -11.479 -2.632 1.00 0.00 C ATOM 1056 OD1 ASP A 64 -0.128 -11.969 -3.572 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -1.280 -12.130 -1.758 1.00 0.00 O ATOM 0 H ASP A 64 0.184 -9.057 -0.541 1.00 0.00 H new ATOM 0 HA ASP A 64 1.312 -10.060 -3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.288 -9.654 -1.613 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.412 -9.558 -3.358 1.00 0.00 H new ATOM 1062 N PHE A 65 1.652 -7.885 -4.224 1.00 0.00 N ATOM 1063 CA PHE A 65 1.724 -6.656 -5.066 1.00 0.00 C ATOM 1064 C PHE A 65 0.352 -6.342 -5.669 1.00 0.00 C ATOM 1065 O PHE A 65 -0.081 -5.208 -5.688 1.00 0.00 O ATOM 1066 CB PHE A 65 2.731 -6.984 -6.169 1.00 0.00 C ATOM 1067 CG PHE A 65 4.131 -6.970 -5.602 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.511 -5.984 -4.683 1.00 0.00 C ATOM 1069 CD2 PHE A 65 5.053 -7.947 -5.999 1.00 0.00 C ATOM 1070 CE1 PHE A 65 5.810 -5.975 -4.163 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.352 -7.938 -5.478 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.731 -6.952 -4.560 1.00 0.00 C ATOM 0 H PHE A 65 2.449 -8.515 -4.308 1.00 0.00 H new ATOM 0 HA PHE A 65 2.024 -5.782 -4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.511 -7.963 -6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.649 -6.258 -6.978 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.801 -5.230 -4.376 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.761 -8.708 -6.708 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.102 -5.214 -3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.062 -8.692 -5.784 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.733 -6.945 -4.158 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.338 -7.335 -6.161 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.681 -7.076 -6.758 1.00 0.00 C ATOM 1084 C ASN A 66 -2.668 -6.665 -5.663 1.00 0.00 C ATOM 1085 O ASN A 66 -3.444 -5.745 -5.828 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.099 -8.407 -7.386 1.00 0.00 C ATOM 1087 CG ASN A 66 -1.963 -9.526 -6.351 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -0.867 -9.887 -5.970 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -3.038 -10.093 -5.876 1.00 0.00 N ATOM 0 H ASN A 66 -0.033 -8.308 -6.176 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.662 -6.270 -7.491 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.129 -8.347 -7.739 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.476 -8.623 -8.254 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.958 -10.839 -5.185 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.958 -9.790 -6.196 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.634 -7.332 -4.543 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.560 -6.971 -3.432 1.00 0.00 C ATOM 1098 C VAL A 67 -3.132 -5.635 -2.818 1.00 0.00 C ATOM 1099 O VAL A 67 -3.942 -4.765 -2.565 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.419 -8.102 -2.414 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -4.188 -7.741 -1.142 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -3.990 -9.392 -3.005 1.00 0.00 C ATOM 0 H VAL A 67 -2.005 -8.111 -4.348 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.591 -6.857 -3.766 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.366 -8.246 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.088 -8.547 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.783 -6.821 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.242 -7.598 -1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.890 -10.200 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.044 -9.247 -3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.444 -9.649 -3.912 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.859 -5.473 -2.580 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.361 -4.201 -1.984 1.00 0.00 C ATOM 1114 C ILE A 68 -1.541 -3.050 -2.975 1.00 0.00 C ATOM 1115 O ILE A 68 -2.000 -1.981 -2.624 1.00 0.00 O ATOM 1116 CB ILE A 68 0.122 -4.458 -1.709 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.633 -3.446 -0.674 1.00 0.00 C ATOM 1118 CG2 ILE A 68 0.926 -4.330 -3.008 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.601 -2.459 -1.335 1.00 0.00 C ATOM 0 H ILE A 68 -1.140 -6.170 -2.774 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.900 -3.921 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 68 0.246 -5.468 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.207 -2.906 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.134 -3.969 0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.981 -4.514 -2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.564 -5.059 -3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.806 -3.325 -3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.957 -1.746 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.449 -3.004 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.087 -1.924 -2.134 1.00 0.00 H new ATOM 1131 N VAL A 69 -1.182 -3.264 -4.208 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.328 -2.184 -5.229 1.00 0.00 C ATOM 1133 C VAL A 69 -2.800 -1.800 -5.390 1.00 0.00 C ATOM 1134 O VAL A 69 -3.131 -0.652 -5.607 1.00 0.00 O ATOM 1135 CB VAL A 69 -0.791 -2.788 -6.526 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -1.170 -1.888 -7.703 1.00 0.00 C ATOM 1137 CG2 VAL A 69 0.732 -2.902 -6.441 1.00 0.00 C ATOM 0 H VAL A 69 -0.793 -4.140 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.792 -1.278 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.223 -3.778 -6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.787 -2.319 -8.628 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.255 -1.805 -7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.738 -0.898 -7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.117 -3.333 -7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.163 -1.912 -6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.003 -3.543 -5.602 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.686 -2.751 -5.287 1.00 0.00 N ATOM 1148 CA GLU A 70 -5.135 -2.436 -5.437 1.00 0.00 C ATOM 1149 C GLU A 70 -5.552 -1.393 -4.398 1.00 0.00 C ATOM 1150 O GLU A 70 -6.318 -0.493 -4.681 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.856 -3.761 -5.191 1.00 0.00 C ATOM 1152 CG GLU A 70 -6.793 -4.058 -6.364 1.00 0.00 C ATOM 1153 CD GLU A 70 -8.038 -3.174 -6.260 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -8.464 -2.915 -5.146 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -8.543 -2.772 -7.294 1.00 0.00 O ATOM 0 H GLU A 70 -3.470 -3.731 -5.106 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.373 -2.023 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.130 -4.567 -5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.424 -3.711 -4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.281 -3.873 -7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.079 -5.110 -6.357 1.00 0.00 H new ATOM 1162 N ALA A 71 -5.055 -1.507 -3.198 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.422 -0.521 -2.143 1.00 0.00 C ATOM 1164 C ALA A 71 -4.830 0.854 -2.471 1.00 0.00 C ATOM 1165 O ALA A 71 -5.456 1.875 -2.261 1.00 0.00 O ATOM 1166 CB ALA A 71 -4.818 -1.075 -0.855 1.00 0.00 C ATOM 0 H ALA A 71 -4.411 -2.240 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.501 -0.387 -2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.045 -0.403 -0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.240 -2.059 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.737 -1.160 -0.967 1.00 0.00 H new ATOM 1172 N LEU A 72 -3.630 0.889 -2.985 1.00 0.00 N ATOM 1173 CA LEU A 72 -3.007 2.202 -3.324 1.00 0.00 C ATOM 1174 C LEU A 72 -3.831 2.912 -4.401 1.00 0.00 C ATOM 1175 O LEU A 72 -3.862 4.123 -4.476 1.00 0.00 O ATOM 1176 CB LEU A 72 -1.612 1.863 -3.858 1.00 0.00 C ATOM 1177 CG LEU A 72 -0.942 0.828 -2.950 1.00 0.00 C ATOM 1178 CD1 LEU A 72 0.574 0.878 -3.154 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -1.267 1.139 -1.486 1.00 0.00 C ATOM 0 H LEU A 72 -3.056 0.070 -3.184 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.960 2.868 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.687 1.474 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.003 2.765 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.313 -0.166 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.053 0.142 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.809 0.655 -4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.942 1.873 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.789 0.401 -0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.898 2.133 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.346 1.105 -1.338 1.00 0.00 H new ATOM 1191 N SER A 73 -4.499 2.163 -5.236 1.00 0.00 N ATOM 1192 CA SER A 73 -5.320 2.792 -6.309 1.00 0.00 C ATOM 1193 C SER A 73 -6.426 3.655 -5.695 1.00 0.00 C ATOM 1194 O SER A 73 -7.079 4.419 -6.377 1.00 0.00 O ATOM 1195 CB SER A 73 -5.923 1.620 -7.083 1.00 0.00 C ATOM 1196 OG SER A 73 -7.031 1.101 -6.360 1.00 0.00 O ATOM 0 H SER A 73 -4.511 1.143 -5.221 1.00 0.00 H new ATOM 0 HA SER A 73 -4.729 3.445 -6.951 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.241 1.948 -8.073 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.174 0.842 -7.230 1.00 0.00 H new ATOM 0 HG SER A 73 -6.750 0.310 -5.854 1.00 0.00 H new ATOM 1301 N MET A 80 1.621 12.114 -2.007 1.00 0.00 N ATOM 1302 CA MET A 80 2.477 11.126 -2.725 1.00 0.00 C ATOM 1303 C MET A 80 1.926 10.873 -4.132 1.00 0.00 C ATOM 1304 O MET A 80 0.784 11.169 -4.425 1.00 0.00 O ATOM 1305 CB MET A 80 2.406 9.851 -1.880 1.00 0.00 C ATOM 1306 CG MET A 80 2.735 8.635 -2.750 1.00 0.00 C ATOM 1307 SD MET A 80 3.103 7.216 -1.689 1.00 0.00 S ATOM 1308 CE MET A 80 4.762 7.734 -1.186 1.00 0.00 C ATOM 0 HA MET A 80 3.502 11.477 -2.845 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.107 9.915 -1.048 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.410 9.744 -1.450 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.895 8.405 -3.405 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.588 8.854 -3.392 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.067 7.172 -0.303 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.464 7.544 -1.998 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.756 8.799 -0.954 1.00 0.00 H new ATOM 1318 N GLU A 81 2.729 10.328 -5.005 1.00 0.00 N ATOM 1319 CA GLU A 81 2.251 10.056 -6.391 1.00 0.00 C ATOM 1320 C GLU A 81 2.553 8.605 -6.777 1.00 0.00 C ATOM 1321 O GLU A 81 3.543 8.035 -6.361 1.00 0.00 O ATOM 1322 CB GLU A 81 3.037 11.025 -7.277 1.00 0.00 C ATOM 1323 CG GLU A 81 2.412 12.419 -7.185 1.00 0.00 C ATOM 1324 CD GLU A 81 3.422 13.466 -7.657 1.00 0.00 C ATOM 1325 OE1 GLU A 81 4.480 13.554 -7.054 1.00 0.00 O ATOM 1326 OE2 GLU A 81 3.122 14.161 -8.614 1.00 0.00 O ATOM 0 H GLU A 81 3.695 10.059 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 81 1.175 10.194 -6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.079 11.060 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.029 10.678 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.511 12.466 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.111 12.627 -6.158 1.00 0.00 H new ATOM 1333 N ILE A 82 1.707 8.003 -7.569 1.00 0.00 N ATOM 1334 CA ILE A 82 1.947 6.588 -7.978 1.00 0.00 C ATOM 1335 C ILE A 82 2.007 6.481 -9.505 1.00 0.00 C ATOM 1336 O ILE A 82 1.290 7.158 -10.213 1.00 0.00 O ATOM 1337 CB ILE A 82 0.749 5.806 -7.435 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.386 6.325 -6.041 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.109 4.322 -7.345 1.00 0.00 C ATOM 1340 CD1 ILE A 82 -0.864 5.600 -5.537 1.00 0.00 C ATOM 0 H ILE A 82 0.862 8.428 -7.950 1.00 0.00 H new ATOM 0 HA ILE A 82 2.892 6.204 -7.594 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.102 5.937 -8.104 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.216 6.163 -5.353 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.207 7.400 -6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.257 3.764 -6.958 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.367 3.949 -8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.960 4.194 -6.676 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.123 5.969 -4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.692 5.785 -6.221 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.668 4.529 -5.486 1.00 0.00 H new ATOM 1352 N SER A 83 2.859 5.635 -10.017 1.00 0.00 N ATOM 1353 CA SER A 83 2.965 5.485 -11.496 1.00 0.00 C ATOM 1354 C SER A 83 1.623 5.043 -12.084 1.00 0.00 C ATOM 1355 O SER A 83 0.612 5.029 -11.408 1.00 0.00 O ATOM 1356 CB SER A 83 4.026 4.405 -11.706 1.00 0.00 C ATOM 1357 OG SER A 83 3.681 3.617 -12.838 1.00 0.00 O ATOM 0 H SER A 83 3.486 5.041 -9.475 1.00 0.00 H new ATOM 0 HA SER A 83 3.230 6.421 -11.988 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.004 4.864 -11.853 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.100 3.775 -10.820 1.00 0.00 H new ATOM 0 HG SER A 83 4.362 2.925 -12.975 1.00 0.00 H new ATOM 1363 N GLU A 84 1.602 4.684 -13.338 1.00 0.00 N ATOM 1364 CA GLU A 84 0.325 4.246 -13.971 1.00 0.00 C ATOM 1365 C GLU A 84 0.009 2.797 -13.588 1.00 0.00 C ATOM 1366 O GLU A 84 -1.116 2.350 -13.689 1.00 0.00 O ATOM 1367 CB GLU A 84 0.569 4.359 -15.476 1.00 0.00 C ATOM 1368 CG GLU A 84 -0.496 5.263 -16.101 1.00 0.00 C ATOM 1369 CD GLU A 84 -0.381 5.210 -17.625 1.00 0.00 C ATOM 1370 OE1 GLU A 84 0.649 4.766 -18.107 1.00 0.00 O ATOM 1371 OE2 GLU A 84 -1.324 5.612 -18.286 1.00 0.00 O ATOM 0 H GLU A 84 2.416 4.675 -13.953 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.522 4.851 -13.647 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.562 4.766 -15.664 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.537 3.371 -15.935 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.490 4.941 -15.789 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.369 6.288 -15.752 1.00 0.00 H new ATOM 1378 N ASP A 85 0.993 2.057 -13.152 1.00 0.00 N ATOM 1379 CA ASP A 85 0.742 0.637 -12.770 1.00 0.00 C ATOM 1380 C ASP A 85 0.395 0.539 -11.282 1.00 0.00 C ATOM 1381 O ASP A 85 -0.063 -0.483 -10.809 1.00 0.00 O ATOM 1382 CB ASP A 85 2.054 -0.088 -13.066 1.00 0.00 C ATOM 1383 CG ASP A 85 2.262 -0.171 -14.579 1.00 0.00 C ATOM 1384 OD1 ASP A 85 1.721 0.670 -15.278 1.00 0.00 O ATOM 1385 OD2 ASP A 85 2.957 -1.074 -15.013 1.00 0.00 O ATOM 0 H ASP A 85 1.957 2.373 -13.044 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.096 0.204 -13.317 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.887 0.441 -12.602 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.033 -1.089 -12.636 1.00 0.00 H new ATOM 1390 N LYS A 86 0.610 1.590 -10.540 1.00 0.00 N ATOM 1391 CA LYS A 86 0.292 1.553 -9.081 1.00 0.00 C ATOM 1392 C LYS A 86 1.226 0.580 -8.355 1.00 0.00 C ATOM 1393 O LYS A 86 0.994 0.213 -7.221 1.00 0.00 O ATOM 1394 CB LYS A 86 -1.157 1.066 -8.999 1.00 0.00 C ATOM 1395 CG LYS A 86 -1.985 1.729 -10.101 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.268 2.308 -9.498 1.00 0.00 C ATOM 1397 CE LYS A 86 -4.081 2.999 -10.594 1.00 0.00 C ATOM 1398 NZ LYS A 86 -4.822 4.087 -9.896 1.00 0.00 N ATOM 0 H LYS A 86 0.992 2.473 -10.879 1.00 0.00 H new ATOM 0 HA LYS A 86 0.422 2.527 -8.610 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.193 -0.018 -9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.577 1.305 -8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.407 2.519 -10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.230 1.001 -10.874 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.857 1.514 -9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.023 3.019 -8.709 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.433 3.400 -11.373 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.766 2.302 -11.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.404 4.607 -10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.436 3.675 -9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.144 4.739 -9.452 1.00 0.00 H new ATOM 1412 N THR A 87 2.282 0.160 -9.000 1.00 0.00 N ATOM 1413 CA THR A 87 3.228 -0.787 -8.343 1.00 0.00 C ATOM 1414 C THR A 87 4.465 -0.035 -7.845 1.00 0.00 C ATOM 1415 O THR A 87 5.553 -0.575 -7.788 1.00 0.00 O ATOM 1416 CB THR A 87 3.610 -1.786 -9.436 1.00 0.00 C ATOM 1417 OG1 THR A 87 4.227 -1.094 -10.513 1.00 0.00 O ATOM 1418 CG2 THR A 87 2.353 -2.500 -9.939 1.00 0.00 C ATOM 0 H THR A 87 2.530 0.431 -9.952 1.00 0.00 H new ATOM 0 HA THR A 87 2.786 -1.280 -7.477 1.00 0.00 H new ATOM 0 HB THR A 87 4.305 -2.521 -9.030 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.474 -1.733 -11.214 1.00 0.00 H new ATOM 0 HG21 THR A 87 2.626 -3.212 -10.718 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.880 -3.030 -9.112 1.00 0.00 H new ATOM 0 HG23 THR A 87 1.656 -1.767 -10.345 1.00 0.00 H new ATOM 1426 N LYS A 88 4.307 1.209 -7.487 1.00 0.00 N ATOM 1427 CA LYS A 88 5.470 2.001 -6.994 1.00 0.00 C ATOM 1428 C LYS A 88 4.977 3.224 -6.214 1.00 0.00 C ATOM 1429 O LYS A 88 3.872 3.691 -6.410 1.00 0.00 O ATOM 1430 CB LYS A 88 6.240 2.413 -8.255 1.00 0.00 C ATOM 1431 CG LYS A 88 5.733 3.763 -8.765 1.00 0.00 C ATOM 1432 CD LYS A 88 6.341 4.046 -10.139 1.00 0.00 C ATOM 1433 CE LYS A 88 7.855 3.829 -10.083 1.00 0.00 C ATOM 1434 NZ LYS A 88 8.408 4.688 -11.166 1.00 0.00 N ATOM 0 H LYS A 88 3.421 1.713 -7.514 1.00 0.00 H new ATOM 0 HA LYS A 88 6.105 1.434 -6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.306 2.476 -8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.118 1.655 -9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.645 3.754 -8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.003 4.554 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.896 3.390 -10.887 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.121 5.070 -10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.258 4.111 -9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.110 2.781 -10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.166 4.177 -11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.653 4.926 -11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.792 5.562 -10.754 1.00 0.00 H new ATOM 1448 N ILE A 89 5.785 3.748 -5.334 1.00 0.00 N ATOM 1449 CA ILE A 89 5.361 4.944 -4.548 1.00 0.00 C ATOM 1450 C ILE A 89 6.441 6.023 -4.620 1.00 0.00 C ATOM 1451 O ILE A 89 7.607 5.731 -4.798 1.00 0.00 O ATOM 1452 CB ILE A 89 5.196 4.437 -3.115 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.561 4.030 -2.555 1.00 0.00 C ATOM 1454 CG2 ILE A 89 4.265 3.225 -3.112 1.00 0.00 C ATOM 1455 CD1 ILE A 89 6.655 4.447 -1.086 1.00 0.00 C ATOM 0 H ILE A 89 6.721 3.401 -5.124 1.00 0.00 H new ATOM 0 HA ILE A 89 4.441 5.389 -4.927 1.00 0.00 H new ATOM 0 HB ILE A 89 4.771 5.228 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.697 2.953 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.357 4.503 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.145 2.861 -2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.292 3.512 -3.511 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.693 2.436 -3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 89 7.627 4.157 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.538 5.528 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.867 3.954 -0.517 1.00 0.00 H new ATOM 1467 N ARG A 90 6.072 7.268 -4.499 1.00 0.00 N ATOM 1468 CA ARG A 90 7.098 8.346 -4.578 1.00 0.00 C ATOM 1469 C ARG A 90 6.682 9.564 -3.748 1.00 0.00 C ATOM 1470 O ARG A 90 5.514 9.815 -3.528 1.00 0.00 O ATOM 1471 CB ARG A 90 7.164 8.699 -6.065 1.00 0.00 C ATOM 1472 CG ARG A 90 7.631 10.142 -6.240 1.00 0.00 C ATOM 1473 CD ARG A 90 6.417 11.073 -6.294 1.00 0.00 C ATOM 1474 NE ARG A 90 6.235 11.383 -7.740 1.00 0.00 N ATOM 1475 CZ ARG A 90 7.148 12.059 -8.385 1.00 0.00 C ATOM 1476 NH1 ARG A 90 8.225 12.463 -7.766 1.00 0.00 N ATOM 1477 NH2 ARG A 90 6.985 12.332 -9.650 1.00 0.00 N ATOM 0 H ARG A 90 5.114 7.584 -4.350 1.00 0.00 H new ATOM 0 HA ARG A 90 8.062 8.028 -4.181 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.848 8.022 -6.578 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.183 8.568 -6.522 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.283 10.426 -5.414 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.216 10.237 -7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.531 10.592 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.589 11.980 -5.714 1.00 0.00 H new ATOM 0 HE ARG A 90 5.396 11.067 -8.227 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.355 12.251 -6.777 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.936 12.991 -8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.145 12.018 -10.135 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.698 12.860 -10.154 1.00 0.00 H new ATOM 1491 N ARG A 91 7.640 10.329 -3.302 1.00 0.00 N ATOM 1492 CA ARG A 91 7.325 11.546 -2.501 1.00 0.00 C ATOM 1493 C ARG A 91 7.125 12.735 -3.445 1.00 0.00 C ATOM 1494 O ARG A 91 7.876 12.921 -4.380 1.00 0.00 O ATOM 1495 CB ARG A 91 8.550 11.756 -1.604 1.00 0.00 C ATOM 1496 CG ARG A 91 8.814 13.255 -1.425 1.00 0.00 C ATOM 1497 CD ARG A 91 9.441 13.502 -0.052 1.00 0.00 C ATOM 1498 NE ARG A 91 8.762 14.723 0.464 1.00 0.00 N ATOM 1499 CZ ARG A 91 7.489 14.693 0.749 1.00 0.00 C ATOM 1500 NH1 ARG A 91 6.808 13.590 0.592 1.00 0.00 N ATOM 1501 NH2 ARG A 91 6.895 15.767 1.195 1.00 0.00 N ATOM 0 H ARG A 91 8.634 10.162 -3.459 1.00 0.00 H new ATOM 0 HA ARG A 91 6.413 11.445 -1.912 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.385 11.288 -0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.422 11.274 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.479 13.614 -2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.882 13.813 -1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.285 12.652 0.613 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.518 13.652 -0.130 1.00 0.00 H new ATOM 0 HE ARG A 91 9.293 15.584 0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.271 12.750 0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.813 13.569 0.815 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.426 16.629 1.320 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.900 15.744 1.418 1.00 0.00 H new ATOM 1515 N SER A 92 6.120 13.534 -3.218 1.00 0.00 N ATOM 1516 CA SER A 92 5.885 14.696 -4.117 1.00 0.00 C ATOM 1517 C SER A 92 7.045 15.685 -4.012 1.00 0.00 C ATOM 1518 O SER A 92 7.197 16.364 -3.016 1.00 0.00 O ATOM 1519 CB SER A 92 4.590 15.333 -3.613 1.00 0.00 C ATOM 1520 OG SER A 92 4.335 16.524 -4.346 1.00 0.00 O ATOM 0 H SER A 92 5.454 13.433 -2.452 1.00 0.00 H new ATOM 0 HA SER A 92 5.812 14.401 -5.164 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.760 14.636 -3.729 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.672 15.557 -2.550 1.00 0.00 H new ATOM 0 HG SER A 92 3.439 16.856 -4.129 1.00 0.00 H new ATOM 1526 N PRO A 93 7.829 15.734 -5.055 1.00 0.00 N ATOM 1527 CA PRO A 93 8.992 16.653 -5.090 1.00 0.00 C ATOM 1528 C PRO A 93 8.494 18.095 -5.076 1.00 0.00 C ATOM 1529 O PRO A 93 9.197 19.008 -4.692 1.00 0.00 O ATOM 1530 CB PRO A 93 9.677 16.329 -6.416 1.00 0.00 C ATOM 1531 CG PRO A 93 8.628 15.656 -7.242 1.00 0.00 C ATOM 1532 CD PRO A 93 7.704 14.954 -6.288 1.00 0.00 C ATOM 0 HA PRO A 93 9.665 16.538 -4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.042 17.234 -6.903 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.538 15.678 -6.266 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.083 16.385 -7.842 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.079 14.946 -7.935 1.00 0.00 H new ATOM 0 HD2 PRO A 93 6.678 14.946 -6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.997 13.915 -6.137 1.00 0.00 H new ATOM 1540 N SER A 94 7.277 18.300 -5.494 1.00 0.00 N ATOM 1541 CA SER A 94 6.713 19.674 -5.509 1.00 0.00 C ATOM 1542 C SER A 94 6.097 20.002 -4.150 1.00 0.00 C ATOM 1543 O SER A 94 5.584 21.084 -3.938 1.00 0.00 O ATOM 1544 CB SER A 94 5.637 19.647 -6.593 1.00 0.00 C ATOM 1545 OG SER A 94 6.258 19.575 -7.870 1.00 0.00 O ATOM 0 H SER A 94 6.647 17.570 -5.827 1.00 0.00 H new ATOM 0 HA SER A 94 7.471 20.432 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.979 18.790 -6.447 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.016 20.541 -6.528 1.00 0.00 H new ATOM 0 HG SER A 94 5.570 19.556 -8.568 1.00 0.00 H new ATOM 1551 N LYS A 95 6.154 19.088 -3.214 1.00 0.00 N ATOM 1552 CA LYS A 95 5.586 19.371 -1.865 1.00 0.00 C ATOM 1553 C LYS A 95 6.697 19.292 -0.813 1.00 0.00 C ATOM 1554 O LYS A 95 7.419 18.317 -0.749 1.00 0.00 O ATOM 1555 CB LYS A 95 4.546 18.273 -1.633 1.00 0.00 C ATOM 1556 CG LYS A 95 3.160 18.905 -1.492 1.00 0.00 C ATOM 1557 CD LYS A 95 3.017 19.516 -0.097 1.00 0.00 C ATOM 1558 CE LYS A 95 2.010 18.700 0.718 1.00 0.00 C ATOM 1559 NZ LYS A 95 2.801 18.124 1.840 1.00 0.00 N ATOM 0 H LYS A 95 6.568 18.163 -3.327 1.00 0.00 H new ATOM 0 HA LYS A 95 5.144 20.365 -1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.553 17.569 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.793 17.708 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.020 19.673 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.388 18.153 -1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.983 19.528 0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.684 20.551 -0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.200 19.328 1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.555 17.916 0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.179 17.550 2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.561 17.525 1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.217 18.894 2.403 1.00 0.00 H new ATOM 1573 N PRO A 96 6.805 20.326 -0.026 1.00 0.00 N ATOM 1574 CA PRO A 96 7.847 20.371 1.027 1.00 0.00 C ATOM 1575 C PRO A 96 7.558 19.350 2.127 1.00 0.00 C ATOM 1576 O PRO A 96 6.422 19.059 2.443 1.00 0.00 O ATOM 1577 CB PRO A 96 7.764 21.782 1.584 1.00 0.00 C ATOM 1578 CG PRO A 96 6.404 22.282 1.204 1.00 0.00 C ATOM 1579 CD PRO A 96 5.979 21.537 -0.038 1.00 0.00 C ATOM 0 HA PRO A 96 8.835 20.131 0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.895 21.785 2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.546 22.416 1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.694 22.115 2.014 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.428 23.356 1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.916 21.295 -0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.151 22.129 -0.937 1.00 0.00 H new ATOM 1587 N LEU A 97 8.587 18.832 2.729 1.00 0.00 N ATOM 1588 CA LEU A 97 8.403 17.858 3.833 1.00 0.00 C ATOM 1589 C LEU A 97 9.109 18.388 5.071 1.00 0.00 C ATOM 1590 O LEU A 97 10.307 18.593 5.076 1.00 0.00 O ATOM 1591 CB LEU A 97 8.996 16.529 3.357 1.00 0.00 C ATOM 1592 CG LEU A 97 10.422 16.347 3.890 1.00 0.00 C ATOM 1593 CD1 LEU A 97 10.370 15.970 5.373 1.00 0.00 C ATOM 1594 CD2 LEU A 97 11.114 15.226 3.111 1.00 0.00 C ATOM 0 H LEU A 97 9.558 19.045 2.500 1.00 0.00 H new ATOM 0 HA LEU A 97 7.354 17.711 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.369 15.704 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.004 16.498 2.267 1.00 0.00 H new ATOM 0 HG LEU A 97 10.976 17.278 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 97 11.384 15.841 5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.872 16.762 5.933 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.817 15.038 5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.128 15.094 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.557 14.298 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.151 15.487 2.053 1.00 0.00 H new