USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=18 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 Single : A 16 LYS NZ :NH3+ 160:sc= -0.118 (180deg=-1.01) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.11) USER MOD Single : A 20 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 90:sc= -0.106 USER MOD Single : A 29 ASN : amide:sc= -4.75! C(o=-4.7!,f=-6.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= -0.398 (180deg=-2.43) USER MOD Single : A 39 GLN : amide:sc= -3.11! C(o=-3.1!,f=-4.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -159:sc= -11.8! (180deg=-12.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.305 F(o=-0.93,f=-0.31) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.568 F(o=-1.6!,f=-0.57) USER MOD Single : A 62 THR OG1 : rot 120:sc= -0.198 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -152:sc= -1.65 (180deg=-4.02!) USER MOD Single : A 83 SER OG : rot 87:sc= 1.01 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00443 USER MOD Single : A 88 LYS NZ :NH3+ -176:sc= 0.874 (180deg=0.857) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0138) USER MOD ----------------------------------------------------------------- ATOM 156 N ALA A 12 -10.939 -3.170 4.623 1.00 0.00 N ATOM 157 CA ALA A 12 -10.079 -2.635 5.715 1.00 0.00 C ATOM 158 C ALA A 12 -8.607 -2.887 5.382 1.00 0.00 C ATOM 159 O ALA A 12 -7.739 -2.112 5.732 1.00 0.00 O ATOM 160 CB ALA A 12 -10.490 -3.418 6.963 1.00 0.00 C ATOM 0 HA ALA A 12 -10.199 -1.561 5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.899 -3.081 7.815 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.548 -3.250 7.166 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.316 -4.481 6.799 1.00 0.00 H new ATOM 166 N LEU A 13 -8.324 -3.966 4.706 1.00 0.00 N ATOM 167 CA LEU A 13 -6.910 -4.274 4.346 1.00 0.00 C ATOM 168 C LEU A 13 -6.322 -3.149 3.488 1.00 0.00 C ATOM 169 O LEU A 13 -5.170 -2.791 3.626 1.00 0.00 O ATOM 170 CB LEU A 13 -6.982 -5.577 3.550 1.00 0.00 C ATOM 171 CG LEU A 13 -5.648 -5.820 2.845 1.00 0.00 C ATOM 172 CD1 LEU A 13 -5.430 -7.324 2.667 1.00 0.00 C ATOM 173 CD2 LEU A 13 -5.668 -5.143 1.474 1.00 0.00 C ATOM 0 H LEU A 13 -9.011 -4.649 4.387 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.270 -4.366 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.210 -6.410 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.788 -5.524 2.818 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.839 -5.405 3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.478 -7.497 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.417 -7.808 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.239 -7.740 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.717 -5.315 0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.478 -5.559 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.823 -4.071 1.600 1.00 0.00 H new ATOM 185 N GLU A 14 -7.105 -2.584 2.608 1.00 0.00 N ATOM 186 CA GLU A 14 -6.580 -1.478 1.752 1.00 0.00 C ATOM 187 C GLU A 14 -6.313 -0.247 2.615 1.00 0.00 C ATOM 188 O GLU A 14 -5.282 0.388 2.519 1.00 0.00 O ATOM 189 CB GLU A 14 -7.686 -1.179 0.737 1.00 0.00 C ATOM 190 CG GLU A 14 -8.227 -2.485 0.160 1.00 0.00 C ATOM 191 CD GLU A 14 -7.240 -3.038 -0.870 1.00 0.00 C ATOM 192 OE1 GLU A 14 -6.871 -2.296 -1.765 1.00 0.00 O ATOM 193 OE2 GLU A 14 -6.870 -4.194 -0.746 1.00 0.00 O ATOM 0 H GLU A 14 -8.079 -2.838 2.445 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.647 -1.749 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.491 -0.622 1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.297 -0.551 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.380 -3.211 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.197 -2.314 -0.306 1.00 0.00 H new ATOM 200 N ALA A 15 -7.245 0.087 3.460 1.00 0.00 N ATOM 201 CA ALA A 15 -7.073 1.271 4.343 1.00 0.00 C ATOM 202 C ALA A 15 -5.843 1.089 5.237 1.00 0.00 C ATOM 203 O ALA A 15 -5.128 2.029 5.525 1.00 0.00 O ATOM 204 CB ALA A 15 -8.350 1.304 5.178 1.00 0.00 C ATOM 0 H ALA A 15 -8.126 -0.414 3.578 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.919 2.196 3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.314 2.150 5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.213 1.407 4.520 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.436 0.379 5.747 1.00 0.00 H new ATOM 210 N LYS A 16 -5.589 -0.114 5.674 1.00 0.00 N ATOM 211 CA LYS A 16 -4.404 -0.356 6.545 1.00 0.00 C ATOM 212 C LYS A 16 -3.115 -0.199 5.733 1.00 0.00 C ATOM 213 O LYS A 16 -2.135 0.343 6.204 1.00 0.00 O ATOM 214 CB LYS A 16 -4.556 -1.797 7.035 1.00 0.00 C ATOM 215 CG LYS A 16 -4.890 -1.795 8.529 1.00 0.00 C ATOM 216 CD LYS A 16 -4.133 -2.928 9.224 1.00 0.00 C ATOM 217 CE LYS A 16 -5.086 -4.098 9.480 1.00 0.00 C ATOM 218 NZ LYS A 16 -5.532 -4.532 8.126 1.00 0.00 N ATOM 0 H LYS A 16 -6.151 -0.940 5.466 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.349 0.350 7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.344 -2.301 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.635 -2.352 6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.618 -0.837 8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.963 -1.919 8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.298 -3.255 8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.713 -2.575 10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.584 -4.908 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.932 -3.791 10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.898 -5.504 8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.282 -3.896 7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.727 -4.499 7.468 1.00 0.00 H new ATOM 232 N ILE A 17 -3.111 -0.668 4.515 1.00 0.00 N ATOM 233 CA ILE A 17 -1.886 -0.545 3.674 1.00 0.00 C ATOM 234 C ILE A 17 -1.543 0.931 3.458 1.00 0.00 C ATOM 235 O ILE A 17 -0.396 1.327 3.524 1.00 0.00 O ATOM 236 CB ILE A 17 -2.248 -1.213 2.347 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.371 -2.725 2.557 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.153 -0.931 1.317 1.00 0.00 C ATOM 239 CD1 ILE A 17 -2.818 -3.388 1.254 1.00 0.00 C ATOM 0 H ILE A 17 -3.902 -1.130 4.066 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.016 -1.009 4.138 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.197 -0.815 1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.414 -3.137 2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.090 -2.935 3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.412 -1.407 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.062 0.145 1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.204 -1.329 1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.905 -4.464 1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.785 -2.984 0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.083 -3.189 0.474 1.00 0.00 H new ATOM 251 N CYS A 18 -2.527 1.750 3.207 1.00 0.00 N ATOM 252 CA CYS A 18 -2.250 3.200 2.993 1.00 0.00 C ATOM 253 C CYS A 18 -1.569 3.786 4.233 1.00 0.00 C ATOM 254 O CYS A 18 -0.643 4.566 4.136 1.00 0.00 O ATOM 255 CB CYS A 18 -3.623 3.839 2.781 1.00 0.00 C ATOM 256 SG CYS A 18 -3.525 5.039 1.429 1.00 0.00 S ATOM 0 H CYS A 18 -3.508 1.480 3.141 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.586 3.378 2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.361 3.072 2.548 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.952 4.331 3.696 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.692 5.582 1.245 1.00 0.00 H new ATOM 262 N HIS A 19 -2.018 3.407 5.399 1.00 0.00 N ATOM 263 CA HIS A 19 -1.397 3.934 6.646 1.00 0.00 C ATOM 264 C HIS A 19 0.084 3.551 6.695 1.00 0.00 C ATOM 265 O HIS A 19 0.913 4.310 7.157 1.00 0.00 O ATOM 266 CB HIS A 19 -2.166 3.268 7.788 1.00 0.00 C ATOM 267 CG HIS A 19 -3.331 4.136 8.180 1.00 0.00 C ATOM 268 ND1 HIS A 19 -4.408 3.645 8.901 1.00 0.00 N ATOM 269 CD2 HIS A 19 -3.599 5.464 7.962 1.00 0.00 C ATOM 270 CE1 HIS A 19 -5.269 4.663 9.087 1.00 0.00 C ATOM 271 NE2 HIS A 19 -4.824 5.794 8.535 1.00 0.00 N ATOM 0 H HIS A 19 -2.789 2.754 5.541 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.447 5.021 6.707 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.519 2.285 7.478 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.508 3.115 8.644 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.957 6.149 7.427 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.205 4.575 9.618 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -5.283 6.705 8.533 1.00 0.00 H new ATOM 279 N GLN A 20 0.426 2.383 6.221 1.00 0.00 N ATOM 280 CA GLN A 20 1.858 1.970 6.245 1.00 0.00 C ATOM 281 C GLN A 20 2.672 2.923 5.369 1.00 0.00 C ATOM 282 O GLN A 20 3.687 3.451 5.784 1.00 0.00 O ATOM 283 CB GLN A 20 1.876 0.554 5.669 1.00 0.00 C ATOM 284 CG GLN A 20 2.200 -0.445 6.781 1.00 0.00 C ATOM 285 CD GLN A 20 0.934 -0.737 7.589 1.00 0.00 C ATOM 286 OE1 GLN A 20 0.325 -1.776 7.430 1.00 0.00 O ATOM 287 NE2 GLN A 20 0.510 0.142 8.454 1.00 0.00 N ATOM 0 H GLN A 20 -0.219 1.702 5.821 1.00 0.00 H new ATOM 0 HA GLN A 20 2.290 1.997 7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.909 0.319 5.224 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.618 0.483 4.874 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.592 -1.368 6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.975 -0.042 7.433 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.022 1.014 8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.333 -0.043 8.997 1.00 0.00 H new ATOM 296 N ILE A 21 2.216 3.177 4.171 1.00 0.00 N ATOM 297 CA ILE A 21 2.956 4.123 3.292 1.00 0.00 C ATOM 298 C ILE A 21 3.061 5.460 4.017 1.00 0.00 C ATOM 299 O ILE A 21 4.053 6.157 3.935 1.00 0.00 O ATOM 300 CB ILE A 21 2.103 4.254 2.032 1.00 0.00 C ATOM 301 CG1 ILE A 21 1.985 2.888 1.352 1.00 0.00 C ATOM 302 CG2 ILE A 21 2.766 5.243 1.073 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.377 2.388 0.961 1.00 0.00 C ATOM 0 H ILE A 21 1.371 2.773 3.768 1.00 0.00 H new ATOM 0 HA ILE A 21 3.964 3.789 3.046 1.00 0.00 H new ATOM 0 HB ILE A 21 1.110 4.614 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.507 2.176 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.353 2.964 0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.159 5.339 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.853 6.216 1.557 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.758 4.880 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.291 1.415 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.838 3.096 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.995 2.296 1.854 1.00 0.00 H new ATOM 315 N GLU A 22 2.040 5.802 4.750 1.00 0.00 N ATOM 316 CA GLU A 22 2.056 7.073 5.519 1.00 0.00 C ATOM 317 C GLU A 22 3.206 7.046 6.530 1.00 0.00 C ATOM 318 O GLU A 22 3.808 8.052 6.828 1.00 0.00 O ATOM 319 CB GLU A 22 0.707 7.119 6.237 1.00 0.00 C ATOM 320 CG GLU A 22 0.366 8.568 6.593 1.00 0.00 C ATOM 321 CD GLU A 22 -0.491 8.594 7.861 1.00 0.00 C ATOM 322 OE1 GLU A 22 -1.094 7.580 8.165 1.00 0.00 O ATOM 323 OE2 GLU A 22 -0.528 9.630 8.505 1.00 0.00 O ATOM 0 H GLU A 22 1.188 5.250 4.849 1.00 0.00 H new ATOM 0 HA GLU A 22 2.203 7.947 4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.070 6.698 5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.743 6.510 7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.281 9.141 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.170 9.040 5.769 1.00 0.00 H new ATOM 330 N TYR A 23 3.503 5.900 7.077 1.00 0.00 N ATOM 331 CA TYR A 23 4.604 5.823 8.081 1.00 0.00 C ATOM 332 C TYR A 23 5.947 6.248 7.464 1.00 0.00 C ATOM 333 O TYR A 23 6.692 6.992 8.066 1.00 0.00 O ATOM 334 CB TYR A 23 4.646 4.356 8.510 1.00 0.00 C ATOM 335 CG TYR A 23 5.964 4.063 9.186 1.00 0.00 C ATOM 336 CD1 TYR A 23 6.214 4.537 10.479 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.938 3.316 8.515 1.00 0.00 C ATOM 338 CE1 TYR A 23 7.438 4.263 11.100 1.00 0.00 C ATOM 339 CE2 TYR A 23 8.162 3.042 9.134 1.00 0.00 C ATOM 340 CZ TYR A 23 8.412 3.516 10.427 1.00 0.00 C ATOM 341 OH TYR A 23 9.620 3.246 11.040 1.00 0.00 O ATOM 0 H TYR A 23 3.034 5.017 6.874 1.00 0.00 H new ATOM 0 HA TYR A 23 4.431 6.493 8.923 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.822 4.142 9.190 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.519 3.709 7.642 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.463 5.114 10.997 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.745 2.950 7.517 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.631 4.628 12.098 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.913 2.465 8.615 1.00 0.00 H new ATOM 0 HH TYR A 23 10.182 2.716 10.437 1.00 0.00 H new ATOM 351 N TYR A 24 6.269 5.790 6.278 1.00 0.00 N ATOM 352 CA TYR A 24 7.580 6.200 5.668 1.00 0.00 C ATOM 353 C TYR A 24 7.495 7.617 5.098 1.00 0.00 C ATOM 354 O TYR A 24 8.442 8.376 5.150 1.00 0.00 O ATOM 355 CB TYR A 24 7.883 5.224 4.524 1.00 0.00 C ATOM 356 CG TYR A 24 7.205 3.899 4.743 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.828 2.904 5.503 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.960 3.662 4.164 1.00 0.00 C ATOM 359 CE1 TYR A 24 7.196 1.668 5.685 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.327 2.433 4.346 1.00 0.00 C ATOM 361 CZ TYR A 24 5.943 1.432 5.107 1.00 0.00 C ATOM 362 OH TYR A 24 5.319 0.215 5.284 1.00 0.00 O ATOM 0 H TYR A 24 5.696 5.163 5.713 1.00 0.00 H new ATOM 0 HA TYR A 24 8.360 6.182 6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.551 5.653 3.579 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.960 5.075 4.445 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.794 3.089 5.948 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.485 4.431 3.573 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.675 0.897 6.271 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.360 2.253 3.899 1.00 0.00 H new ATOM 0 HH TYR A 24 4.760 0.248 6.088 1.00 0.00 H new ATOM 372 N PHE A 25 6.380 7.970 4.520 1.00 0.00 N ATOM 373 CA PHE A 25 6.261 9.333 3.911 1.00 0.00 C ATOM 374 C PHE A 25 5.389 10.264 4.759 1.00 0.00 C ATOM 375 O PHE A 25 5.389 11.462 4.564 1.00 0.00 O ATOM 376 CB PHE A 25 5.605 9.096 2.551 1.00 0.00 C ATOM 377 CG PHE A 25 6.525 8.275 1.679 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.510 8.907 0.911 1.00 0.00 C ATOM 379 CD2 PHE A 25 6.393 6.882 1.637 1.00 0.00 C ATOM 380 CE1 PHE A 25 8.361 8.147 0.101 1.00 0.00 C ATOM 381 CE2 PHE A 25 7.244 6.122 0.828 1.00 0.00 C ATOM 382 CZ PHE A 25 8.229 6.754 0.059 1.00 0.00 C ATOM 0 H PHE A 25 5.550 7.382 4.441 1.00 0.00 H new ATOM 0 HA PHE A 25 7.235 9.818 3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.654 8.580 2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.387 10.050 2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.613 9.982 0.944 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.634 6.394 2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.120 8.635 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.141 5.047 0.796 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.886 6.167 -0.566 1.00 0.00 H new ATOM 392 N GLY A 26 4.620 9.727 5.663 1.00 0.00 N ATOM 393 CA GLY A 26 3.712 10.573 6.504 1.00 0.00 C ATOM 394 C GLY A 26 4.474 11.717 7.194 1.00 0.00 C ATOM 395 O GLY A 26 4.241 12.010 8.350 1.00 0.00 O ATOM 0 H GLY A 26 4.577 8.727 5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.921 10.988 5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.230 9.951 7.258 1.00 0.00 H new ATOM 399 N ASP A 27 5.351 12.383 6.499 1.00 0.00 N ATOM 400 CA ASP A 27 6.093 13.528 7.109 1.00 0.00 C ATOM 401 C ASP A 27 6.998 13.088 8.269 1.00 0.00 C ATOM 402 O ASP A 27 7.975 13.742 8.569 1.00 0.00 O ATOM 403 CB ASP A 27 5.001 14.468 7.619 1.00 0.00 C ATOM 404 CG ASP A 27 3.916 14.620 6.551 1.00 0.00 C ATOM 405 OD1 ASP A 27 4.268 14.696 5.385 1.00 0.00 O ATOM 406 OD2 ASP A 27 2.753 14.657 6.916 1.00 0.00 O ATOM 0 H ASP A 27 5.590 12.185 5.527 1.00 0.00 H new ATOM 0 HA ASP A 27 6.757 13.995 6.382 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.568 14.074 8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.428 15.442 7.859 1.00 0.00 H new ATOM 411 N PHE A 28 6.689 12.013 8.943 1.00 0.00 N ATOM 412 CA PHE A 28 7.555 11.596 10.085 1.00 0.00 C ATOM 413 C PHE A 28 8.802 10.859 9.592 1.00 0.00 C ATOM 414 O PHE A 28 9.907 11.142 10.011 1.00 0.00 O ATOM 415 CB PHE A 28 6.680 10.664 10.923 1.00 0.00 C ATOM 416 CG PHE A 28 7.537 9.936 11.929 1.00 0.00 C ATOM 417 CD1 PHE A 28 8.131 10.642 12.983 1.00 0.00 C ATOM 418 CD2 PHE A 28 7.739 8.556 11.810 1.00 0.00 C ATOM 419 CE1 PHE A 28 8.927 9.967 13.917 1.00 0.00 C ATOM 420 CE2 PHE A 28 8.535 7.882 12.744 1.00 0.00 C ATOM 421 CZ PHE A 28 9.128 8.587 13.798 1.00 0.00 C ATOM 0 H PHE A 28 5.886 11.412 8.757 1.00 0.00 H new ATOM 0 HA PHE A 28 7.912 12.454 10.655 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.907 11.237 11.435 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.171 9.948 10.278 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.975 11.707 13.075 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.281 8.011 10.998 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.386 10.511 14.729 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.692 6.817 12.651 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.740 8.066 14.519 1.00 0.00 H new ATOM 431 N ASN A 29 8.633 9.899 8.734 1.00 0.00 N ATOM 432 CA ASN A 29 9.802 9.115 8.238 1.00 0.00 C ATOM 433 C ASN A 29 10.663 9.922 7.259 1.00 0.00 C ATOM 434 O ASN A 29 11.861 9.741 7.190 1.00 0.00 O ATOM 435 CB ASN A 29 9.190 7.907 7.536 1.00 0.00 C ATOM 436 CG ASN A 29 9.195 6.710 8.487 1.00 0.00 C ATOM 437 OD1 ASN A 29 8.514 6.716 9.494 1.00 0.00 O ATOM 438 ND2 ASN A 29 9.939 5.675 8.210 1.00 0.00 N ATOM 0 H ASN A 29 7.731 9.618 8.349 1.00 0.00 H new ATOM 0 HA ASN A 29 10.467 8.838 9.056 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.171 8.132 7.223 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.756 7.671 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.949 4.871 8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.511 5.669 7.365 1.00 0.00 H new ATOM 445 N LEU A 30 10.073 10.784 6.480 1.00 0.00 N ATOM 446 CA LEU A 30 10.882 11.558 5.490 1.00 0.00 C ATOM 447 C LEU A 30 12.001 12.343 6.188 1.00 0.00 C ATOM 448 O LEU A 30 13.146 12.262 5.791 1.00 0.00 O ATOM 449 CB LEU A 30 9.889 12.509 4.825 1.00 0.00 C ATOM 450 CG LEU A 30 9.481 11.946 3.463 1.00 0.00 C ATOM 451 CD1 LEU A 30 8.122 12.522 3.059 1.00 0.00 C ATOM 452 CD2 LEU A 30 10.530 12.332 2.417 1.00 0.00 C ATOM 0 H LEU A 30 9.073 10.987 6.483 1.00 0.00 H new ATOM 0 HA LEU A 30 11.372 10.905 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.010 12.635 5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.338 13.495 4.704 1.00 0.00 H new ATOM 0 HG LEU A 30 9.411 10.860 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.831 12.121 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.375 12.248 3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.191 13.608 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.240 11.931 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.600 13.418 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.498 11.922 2.704 1.00 0.00 H new ATOM 464 N PRO A 31 11.641 13.073 7.207 1.00 0.00 N ATOM 465 CA PRO A 31 12.646 13.865 7.958 1.00 0.00 C ATOM 466 C PRO A 31 13.726 12.939 8.531 1.00 0.00 C ATOM 467 O PRO A 31 14.773 13.381 8.960 1.00 0.00 O ATOM 468 CB PRO A 31 11.844 14.520 9.083 1.00 0.00 C ATOM 469 CG PRO A 31 10.410 14.413 8.670 1.00 0.00 C ATOM 470 CD PRO A 31 10.292 13.232 7.746 1.00 0.00 C ATOM 0 HA PRO A 31 13.160 14.597 7.335 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.017 14.015 10.033 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.136 15.561 9.218 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.769 14.283 9.542 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.086 15.325 8.169 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.967 12.339 8.279 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.564 13.414 6.955 1.00 0.00 H new ATOM 478 N ARG A 32 13.475 11.659 8.536 1.00 0.00 N ATOM 479 CA ARG A 32 14.482 10.698 9.074 1.00 0.00 C ATOM 480 C ARG A 32 14.336 9.349 8.365 1.00 0.00 C ATOM 481 O ARG A 32 14.363 8.302 8.983 1.00 0.00 O ATOM 482 CB ARG A 32 14.148 10.564 10.560 1.00 0.00 C ATOM 483 CG ARG A 32 14.614 11.819 11.303 1.00 0.00 C ATOM 484 CD ARG A 32 16.136 11.936 11.200 1.00 0.00 C ATOM 485 NE ARG A 32 16.538 12.751 12.381 1.00 0.00 N ATOM 486 CZ ARG A 32 16.580 12.206 13.567 1.00 0.00 C ATOM 487 NH1 ARG A 32 16.273 10.947 13.721 1.00 0.00 N ATOM 488 NH2 ARG A 32 16.930 12.923 14.600 1.00 0.00 N ATOM 0 H ARG A 32 12.614 11.235 8.190 1.00 0.00 H new ATOM 0 HA ARG A 32 15.507 11.035 8.920 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.075 10.428 10.692 1.00 0.00 H new ATOM 0 HB3 ARG A 32 14.634 9.681 10.975 1.00 0.00 H new ATOM 0 HG2 ARG A 32 14.141 12.704 10.877 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.312 11.769 12.349 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.610 10.955 11.217 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.433 12.417 10.268 1.00 0.00 H new ATOM 0 HE ARG A 32 16.780 13.735 12.263 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.000 10.386 12.914 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.307 10.524 14.648 1.00 0.00 H new ATOM 0 HH21 ARG A 32 17.170 13.907 14.480 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.963 12.499 15.527 1.00 0.00 H new ATOM 502 N ASP A 33 14.196 9.370 7.069 1.00 0.00 N ATOM 503 CA ASP A 33 14.064 8.093 6.311 1.00 0.00 C ATOM 504 C ASP A 33 15.392 7.741 5.636 1.00 0.00 C ATOM 505 O ASP A 33 15.695 8.232 4.567 1.00 0.00 O ATOM 506 CB ASP A 33 12.988 8.368 5.259 1.00 0.00 C ATOM 507 CG ASP A 33 11.786 7.454 5.505 1.00 0.00 C ATOM 508 OD1 ASP A 33 11.748 6.828 6.552 1.00 0.00 O ATOM 509 OD2 ASP A 33 10.924 7.397 4.644 1.00 0.00 O ATOM 0 H ASP A 33 14.167 10.217 6.501 1.00 0.00 H new ATOM 0 HA ASP A 33 13.801 7.255 6.956 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.679 9.412 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.389 8.197 4.260 1.00 0.00 H new ATOM 514 N LYS A 34 16.188 6.892 6.231 1.00 0.00 N ATOM 515 CA LYS A 34 17.486 6.521 5.590 1.00 0.00 C ATOM 516 C LYS A 34 17.241 5.564 4.426 1.00 0.00 C ATOM 517 O LYS A 34 17.821 5.688 3.366 1.00 0.00 O ATOM 518 CB LYS A 34 18.304 5.828 6.684 1.00 0.00 C ATOM 519 CG LYS A 34 18.040 6.493 8.036 1.00 0.00 C ATOM 520 CD LYS A 34 18.181 8.011 7.896 1.00 0.00 C ATOM 521 CE LYS A 34 17.846 8.681 9.231 1.00 0.00 C ATOM 522 NZ LYS A 34 18.741 9.870 9.298 1.00 0.00 N ATOM 0 H LYS A 34 15.999 6.442 7.126 1.00 0.00 H new ATOM 0 HA LYS A 34 18.005 7.392 5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.041 4.771 6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.366 5.882 6.444 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.039 6.241 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.743 6.119 8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.197 8.266 7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.515 8.378 7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.797 8.973 9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.023 8.005 10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.571 10.383 10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.733 9.560 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.545 10.498 8.493 1.00 0.00 H new ATOM 536 N PHE A 35 16.393 4.599 4.628 1.00 0.00 N ATOM 537 CA PHE A 35 16.108 3.612 3.547 1.00 0.00 C ATOM 538 C PHE A 35 15.292 4.262 2.425 1.00 0.00 C ATOM 539 O PHE A 35 15.397 3.885 1.277 1.00 0.00 O ATOM 540 CB PHE A 35 15.304 2.502 4.223 1.00 0.00 C ATOM 541 CG PHE A 35 13.981 3.050 4.702 1.00 0.00 C ATOM 542 CD1 PHE A 35 12.927 3.223 3.797 1.00 0.00 C ATOM 543 CD2 PHE A 35 13.809 3.385 6.050 1.00 0.00 C ATOM 544 CE1 PHE A 35 11.699 3.729 4.240 1.00 0.00 C ATOM 545 CE2 PHE A 35 12.582 3.891 6.494 1.00 0.00 C ATOM 546 CZ PHE A 35 11.527 4.064 5.589 1.00 0.00 C ATOM 0 H PHE A 35 15.881 4.448 5.497 1.00 0.00 H new ATOM 0 HA PHE A 35 17.022 3.233 3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.137 1.683 3.523 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.865 2.094 5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.061 2.966 2.757 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.623 3.253 6.747 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.885 3.861 3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.449 4.148 7.534 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.581 4.456 5.932 1.00 0.00 H new ATOM 556 N LEU A 36 14.480 5.230 2.746 1.00 0.00 N ATOM 557 CA LEU A 36 13.663 5.889 1.687 1.00 0.00 C ATOM 558 C LEU A 36 14.534 6.825 0.843 1.00 0.00 C ATOM 559 O LEU A 36 14.381 6.912 -0.358 1.00 0.00 O ATOM 560 CB LEU A 36 12.592 6.678 2.435 1.00 0.00 C ATOM 561 CG LEU A 36 11.294 6.647 1.630 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.584 7.072 0.188 1.00 0.00 C ATOM 563 CD2 LEU A 36 10.727 5.225 1.637 1.00 0.00 C ATOM 0 H LEU A 36 14.346 5.592 3.690 1.00 0.00 H new ATOM 0 HA LEU A 36 13.225 5.164 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.431 6.249 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.918 7.707 2.583 1.00 0.00 H new ATOM 0 HG LEU A 36 10.570 7.330 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.660 7.051 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.993 8.082 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.305 6.386 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.801 5.200 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.450 4.543 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.526 4.918 2.664 1.00 0.00 H new ATOM 575 N LYS A 37 15.454 7.518 1.459 1.00 0.00 N ATOM 576 CA LYS A 37 16.334 8.434 0.677 1.00 0.00 C ATOM 577 C LYS A 37 17.195 7.615 -0.284 1.00 0.00 C ATOM 578 O LYS A 37 17.434 8.002 -1.411 1.00 0.00 O ATOM 579 CB LYS A 37 17.215 9.140 1.709 1.00 0.00 C ATOM 580 CG LYS A 37 17.887 8.108 2.617 1.00 0.00 C ATOM 581 CD LYS A 37 18.918 8.806 3.506 1.00 0.00 C ATOM 582 CE LYS A 37 20.057 9.349 2.640 1.00 0.00 C ATOM 583 NZ LYS A 37 20.722 8.141 2.079 1.00 0.00 N ATOM 0 H LYS A 37 15.634 7.490 2.463 1.00 0.00 H new ATOM 0 HA LYS A 37 15.763 9.149 0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.972 9.740 1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.613 9.824 2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 37 17.139 7.608 3.233 1.00 0.00 H new ATOM 0 HG3 LYS A 37 18.371 7.339 2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.447 9.620 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 37 19.310 8.106 4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 37 19.678 9.995 1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.753 9.945 3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 21.743 8.318 1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.567 7.333 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 20.322 7.927 1.143 1.00 0.00 H new ATOM 597 N GLU A 38 17.643 6.476 0.156 1.00 0.00 N ATOM 598 CA GLU A 38 18.474 5.607 -0.723 1.00 0.00 C ATOM 599 C GLU A 38 17.658 5.206 -1.953 1.00 0.00 C ATOM 600 O GLU A 38 18.114 5.305 -3.075 1.00 0.00 O ATOM 601 CB GLU A 38 18.808 4.381 0.127 1.00 0.00 C ATOM 602 CG GLU A 38 19.850 4.760 1.182 1.00 0.00 C ATOM 603 CD GLU A 38 21.234 4.300 0.721 1.00 0.00 C ATOM 604 OE1 GLU A 38 21.886 5.058 0.023 1.00 0.00 O ATOM 605 OE2 GLU A 38 21.619 3.198 1.075 1.00 0.00 O ATOM 0 H GLU A 38 17.470 6.106 1.091 1.00 0.00 H new ATOM 0 HA GLU A 38 19.377 6.104 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.907 4.004 0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 38 19.190 3.580 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 38 19.848 5.839 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 38 19.601 4.298 2.137 1.00 0.00 H new ATOM 612 N GLN A 39 16.447 4.763 -1.748 1.00 0.00 N ATOM 613 CA GLN A 39 15.590 4.365 -2.900 1.00 0.00 C ATOM 614 C GLN A 39 15.148 5.609 -3.674 1.00 0.00 C ATOM 615 O GLN A 39 15.156 5.636 -4.888 1.00 0.00 O ATOM 616 CB GLN A 39 14.385 3.664 -2.272 1.00 0.00 C ATOM 617 CG GLN A 39 14.872 2.522 -1.380 1.00 0.00 C ATOM 618 CD GLN A 39 15.761 1.579 -2.195 1.00 0.00 C ATOM 619 OE1 GLN A 39 15.313 0.979 -3.152 1.00 0.00 O ATOM 620 NE2 GLN A 39 17.011 1.424 -1.855 1.00 0.00 N ATOM 0 H GLN A 39 16.014 4.660 -0.830 1.00 0.00 H new ATOM 0 HA GLN A 39 16.112 3.718 -3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 39 13.801 4.374 -1.686 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.728 3.277 -3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.429 2.921 -0.532 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.021 1.976 -0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 39 17.387 1.928 -1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 39 17.612 0.799 -2.392 1.00 0.00 H new ATOM 629 N ILE A 40 14.772 6.645 -2.975 1.00 0.00 N ATOM 630 CA ILE A 40 14.338 7.890 -3.667 1.00 0.00 C ATOM 631 C ILE A 40 15.509 8.461 -4.474 1.00 0.00 C ATOM 632 O ILE A 40 15.338 8.955 -5.571 1.00 0.00 O ATOM 633 CB ILE A 40 13.921 8.845 -2.545 1.00 0.00 C ATOM 634 CG1 ILE A 40 12.415 8.717 -2.308 1.00 0.00 C ATOM 635 CG2 ILE A 40 14.247 10.289 -2.936 1.00 0.00 C ATOM 636 CD1 ILE A 40 11.968 9.760 -1.283 1.00 0.00 C ATOM 0 H ILE A 40 14.747 6.682 -1.956 1.00 0.00 H new ATOM 0 HA ILE A 40 13.520 7.723 -4.368 1.00 0.00 H new ATOM 0 HB ILE A 40 14.465 8.588 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.876 8.858 -3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.176 7.715 -1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 40 13.947 10.960 -2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.319 10.386 -3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.708 10.550 -3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.895 9.668 -1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.498 9.598 -0.344 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.192 10.758 -1.658 1.00 0.00 H new ATOM 648 N LYS A 41 16.697 8.388 -3.939 1.00 0.00 N ATOM 649 CA LYS A 41 17.879 8.916 -4.676 1.00 0.00 C ATOM 650 C LYS A 41 18.177 8.025 -5.885 1.00 0.00 C ATOM 651 O LYS A 41 18.725 8.465 -6.875 1.00 0.00 O ATOM 652 CB LYS A 41 19.031 8.861 -3.672 1.00 0.00 C ATOM 653 CG LYS A 41 19.140 10.201 -2.944 1.00 0.00 C ATOM 654 CD LYS A 41 20.557 10.757 -3.106 1.00 0.00 C ATOM 655 CE LYS A 41 21.454 10.202 -1.998 1.00 0.00 C ATOM 656 NZ LYS A 41 22.575 11.175 -1.887 1.00 0.00 N ATOM 0 H LYS A 41 16.900 7.986 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 41 17.718 9.926 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.863 8.058 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 41 19.965 8.638 -4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.413 10.906 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.907 10.073 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.957 10.484 -4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.539 11.846 -3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.911 10.116 -1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.819 9.206 -2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 23.234 10.862 -1.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 23.077 11.231 -2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 22.198 12.113 -1.642 1.00 0.00 H new ATOM 670 N LEU A 42 17.812 6.774 -5.811 1.00 0.00 N ATOM 671 CA LEU A 42 18.068 5.852 -6.954 1.00 0.00 C ATOM 672 C LEU A 42 17.529 6.464 -8.249 1.00 0.00 C ATOM 673 O LEU A 42 18.276 6.956 -9.072 1.00 0.00 O ATOM 674 CB LEU A 42 17.306 4.573 -6.607 1.00 0.00 C ATOM 675 CG LEU A 42 18.256 3.376 -6.677 1.00 0.00 C ATOM 676 CD1 LEU A 42 18.934 3.182 -5.319 1.00 0.00 C ATOM 677 CD2 LEU A 42 17.463 2.117 -7.034 1.00 0.00 C ATOM 0 H LEU A 42 17.347 6.350 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 42 19.130 5.663 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.878 4.652 -5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.476 4.433 -7.299 1.00 0.00 H new ATOM 0 HG LEU A 42 19.014 3.558 -7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 42 19.611 2.329 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.498 4.079 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 42 18.176 3.000 -4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 42 18.139 1.263 -7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 42 16.705 1.936 -6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 42 16.979 2.254 -8.001 1.00 0.00 H new ATOM 689 N ASP A 43 16.237 6.443 -8.432 1.00 0.00 N ATOM 690 CA ASP A 43 15.649 7.030 -9.670 1.00 0.00 C ATOM 691 C ASP A 43 15.148 8.448 -9.384 1.00 0.00 C ATOM 692 O ASP A 43 15.910 9.320 -9.016 1.00 0.00 O ATOM 693 CB ASP A 43 14.487 6.104 -10.032 1.00 0.00 C ATOM 694 CG ASP A 43 15.033 4.742 -10.465 1.00 0.00 C ATOM 695 OD1 ASP A 43 16.171 4.451 -10.136 1.00 0.00 O ATOM 696 OD2 ASP A 43 14.304 4.014 -11.118 1.00 0.00 O ATOM 0 H ASP A 43 15.563 6.045 -7.778 1.00 0.00 H new ATOM 0 HA ASP A 43 16.371 7.106 -10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.823 5.986 -9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.896 6.543 -10.836 1.00 0.00 H new ATOM 701 N GLU A 44 13.875 8.691 -9.545 1.00 0.00 N ATOM 702 CA GLU A 44 13.340 10.055 -9.273 1.00 0.00 C ATOM 703 C GLU A 44 12.414 10.019 -8.056 1.00 0.00 C ATOM 704 O GLU A 44 11.505 10.816 -7.931 1.00 0.00 O ATOM 705 CB GLU A 44 12.554 10.438 -10.530 1.00 0.00 C ATOM 706 CG GLU A 44 13.285 9.931 -11.775 1.00 0.00 C ATOM 707 CD GLU A 44 14.773 10.270 -11.668 1.00 0.00 C ATOM 708 OE1 GLU A 44 15.081 11.417 -11.391 1.00 0.00 O ATOM 709 OE2 GLU A 44 15.579 9.376 -11.868 1.00 0.00 O ATOM 0 H GLU A 44 13.185 8.006 -9.852 1.00 0.00 H new ATOM 0 HA GLU A 44 14.131 10.773 -9.056 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.552 10.012 -10.487 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.438 11.521 -10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.153 8.854 -11.873 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.861 10.387 -12.670 1.00 0.00 H new ATOM 716 N GLY A 45 12.634 9.097 -7.159 1.00 0.00 N ATOM 717 CA GLY A 45 11.762 9.008 -5.953 1.00 0.00 C ATOM 718 C GLY A 45 10.820 7.812 -6.095 1.00 0.00 C ATOM 719 O GLY A 45 10.207 7.374 -5.142 1.00 0.00 O ATOM 0 H GLY A 45 13.379 8.402 -7.209 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.372 8.900 -5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.187 9.927 -5.838 1.00 0.00 H new ATOM 723 N TRP A 46 10.690 7.287 -7.283 1.00 0.00 N ATOM 724 CA TRP A 46 9.775 6.128 -7.493 1.00 0.00 C ATOM 725 C TRP A 46 10.263 4.896 -6.722 1.00 0.00 C ATOM 726 O TRP A 46 11.338 4.383 -6.956 1.00 0.00 O ATOM 727 CB TRP A 46 9.804 5.864 -8.998 1.00 0.00 C ATOM 728 CG TRP A 46 8.905 6.837 -9.690 1.00 0.00 C ATOM 729 CD1 TRP A 46 9.254 7.597 -10.754 1.00 0.00 C ATOM 730 CD2 TRP A 46 7.518 7.170 -9.385 1.00 0.00 C ATOM 731 NE1 TRP A 46 8.171 8.375 -11.122 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.077 8.148 -10.308 1.00 0.00 C ATOM 733 CE3 TRP A 46 6.609 6.723 -8.408 1.00 0.00 C ATOM 734 CZ2 TRP A 46 5.782 8.665 -10.264 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.304 7.242 -8.362 1.00 0.00 C ATOM 736 CH2 TRP A 46 4.892 8.210 -9.288 1.00 0.00 C ATOM 0 H TRP A 46 11.178 7.611 -8.118 1.00 0.00 H new ATOM 0 HA TRP A 46 8.768 6.339 -7.132 1.00 0.00 H new ATOM 0 HB2 TRP A 46 10.822 5.960 -9.376 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.482 4.843 -9.206 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.220 7.596 -11.237 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.179 9.036 -11.899 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.916 5.977 -7.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.470 9.412 -10.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.614 6.893 -7.608 1.00 0.00 H new ATOM 0 HH2 TRP A 46 3.887 8.604 -9.247 1.00 0.00 H new ATOM 747 N VAL A 47 9.457 4.416 -5.815 1.00 0.00 N ATOM 748 CA VAL A 47 9.841 3.207 -5.029 1.00 0.00 C ATOM 749 C VAL A 47 8.916 2.045 -5.395 1.00 0.00 C ATOM 750 O VAL A 47 7.739 2.238 -5.613 1.00 0.00 O ATOM 751 CB VAL A 47 9.657 3.597 -3.561 1.00 0.00 C ATOM 752 CG1 VAL A 47 9.718 2.341 -2.687 1.00 0.00 C ATOM 753 CG2 VAL A 47 10.771 4.560 -3.145 1.00 0.00 C ATOM 0 H VAL A 47 8.545 4.810 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 47 10.864 2.889 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 47 8.689 4.083 -3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 47 9.587 2.619 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.925 1.654 -2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.685 1.855 -2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.640 4.838 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.738 4.074 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.729 5.455 -3.766 1.00 0.00 H new ATOM 763 N PRO A 48 9.478 0.871 -5.450 1.00 0.00 N ATOM 764 CA PRO A 48 8.699 -0.325 -5.789 1.00 0.00 C ATOM 765 C PRO A 48 8.129 -0.941 -4.513 1.00 0.00 C ATOM 766 O PRO A 48 8.738 -0.895 -3.463 1.00 0.00 O ATOM 767 CB PRO A 48 9.731 -1.249 -6.426 1.00 0.00 C ATOM 768 CG PRO A 48 11.073 -0.760 -5.953 1.00 0.00 C ATOM 769 CD PRO A 48 10.871 0.538 -5.205 1.00 0.00 C ATOM 0 HA PRO A 48 7.853 -0.128 -6.447 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.565 -2.284 -6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.665 -1.217 -7.514 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.540 -1.502 -5.306 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.742 -0.609 -6.800 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.072 0.421 -4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.538 1.318 -5.571 1.00 0.00 H new ATOM 777 N LEU A 49 6.961 -1.501 -4.593 1.00 0.00 N ATOM 778 CA LEU A 49 6.340 -2.108 -3.379 1.00 0.00 C ATOM 779 C LEU A 49 7.213 -3.239 -2.822 1.00 0.00 C ATOM 780 O LEU A 49 6.880 -3.848 -1.827 1.00 0.00 O ATOM 781 CB LEU A 49 5.002 -2.673 -3.858 1.00 0.00 C ATOM 782 CG LEU A 49 4.142 -1.552 -4.437 1.00 0.00 C ATOM 783 CD1 LEU A 49 2.950 -2.162 -5.176 1.00 0.00 C ATOM 784 CD2 LEU A 49 3.637 -0.659 -3.302 1.00 0.00 C ATOM 0 H LEU A 49 6.404 -1.568 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 49 6.224 -1.375 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.171 -3.441 -4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.481 -3.151 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 49 4.735 -0.955 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.333 -1.365 -5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.310 -2.800 -5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.356 -2.756 -4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.023 0.142 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.041 -1.253 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.487 -0.228 -2.772 1.00 0.00 H new ATOM 796 N GLU A 50 8.329 -3.519 -3.436 1.00 0.00 N ATOM 797 CA GLU A 50 9.195 -4.606 -2.903 1.00 0.00 C ATOM 798 C GLU A 50 9.694 -4.213 -1.516 1.00 0.00 C ATOM 799 O GLU A 50 9.658 -4.988 -0.581 1.00 0.00 O ATOM 800 CB GLU A 50 10.360 -4.728 -3.887 1.00 0.00 C ATOM 801 CG GLU A 50 11.215 -3.463 -3.849 1.00 0.00 C ATOM 802 CD GLU A 50 12.334 -3.575 -4.886 1.00 0.00 C ATOM 803 OE1 GLU A 50 12.141 -4.279 -5.863 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.365 -2.955 -4.686 1.00 0.00 O ATOM 0 H GLU A 50 8.675 -3.049 -4.273 1.00 0.00 H new ATOM 0 HA GLU A 50 8.666 -5.554 -2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.970 -5.596 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.979 -4.888 -4.896 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.599 -2.588 -4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.639 -3.327 -2.854 1.00 0.00 H new ATOM 811 N ILE A 51 10.144 -3.002 -1.383 1.00 0.00 N ATOM 812 CA ILE A 51 10.636 -2.522 -0.062 1.00 0.00 C ATOM 813 C ILE A 51 9.468 -2.413 0.918 1.00 0.00 C ATOM 814 O ILE A 51 9.605 -2.670 2.097 1.00 0.00 O ATOM 815 CB ILE A 51 11.226 -1.140 -0.339 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.458 -1.285 -1.229 1.00 0.00 C ATOM 817 CG2 ILE A 51 11.627 -0.483 0.983 1.00 0.00 C ATOM 818 CD1 ILE A 51 12.890 0.092 -1.732 1.00 0.00 C ATOM 0 H ILE A 51 10.194 -2.317 -2.137 1.00 0.00 H new ATOM 0 HA ILE A 51 11.368 -3.198 0.380 1.00 0.00 H new ATOM 0 HB ILE A 51 10.484 -0.520 -0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 51 13.270 -1.751 -0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.235 -1.938 -2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.048 0.503 0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.748 -0.382 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.371 -1.101 1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.770 -0.012 -2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.079 0.541 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.130 0.731 -0.882 1.00 0.00 H new ATOM 830 N MET A 52 8.317 -2.040 0.432 1.00 0.00 N ATOM 831 CA MET A 52 7.134 -1.925 1.333 1.00 0.00 C ATOM 832 C MET A 52 6.558 -3.315 1.632 1.00 0.00 C ATOM 833 O MET A 52 6.226 -3.630 2.756 1.00 0.00 O ATOM 834 CB MET A 52 6.124 -1.075 0.560 1.00 0.00 C ATOM 835 CG MET A 52 6.159 0.360 1.092 1.00 0.00 C ATOM 836 SD MET A 52 7.863 0.973 1.067 1.00 0.00 S ATOM 837 CE MET A 52 7.654 2.294 2.288 1.00 0.00 C ATOM 0 H MET A 52 8.143 -1.810 -0.547 1.00 0.00 H new ATOM 0 HA MET A 52 7.389 -1.476 2.293 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.360 -1.087 -0.504 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.122 -1.491 0.669 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.522 1.001 0.482 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.765 0.392 2.108 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.448 3.031 2.166 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.687 2.775 2.142 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.701 1.872 3.292 1.00 0.00 H new ATOM 847 N ILE A 53 6.431 -4.142 0.628 1.00 0.00 N ATOM 848 CA ILE A 53 5.867 -5.507 0.849 1.00 0.00 C ATOM 849 C ILE A 53 6.923 -6.442 1.443 1.00 0.00 C ATOM 850 O ILE A 53 6.672 -7.610 1.662 1.00 0.00 O ATOM 851 CB ILE A 53 5.445 -6.000 -0.536 1.00 0.00 C ATOM 852 CG1 ILE A 53 6.693 -6.348 -1.352 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.649 -4.908 -1.254 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.765 -7.863 -1.553 1.00 0.00 C ATOM 0 H ILE A 53 6.693 -3.932 -0.335 1.00 0.00 H new ATOM 0 HA ILE A 53 5.033 -5.487 1.550 1.00 0.00 H new ATOM 0 HB ILE A 53 4.819 -6.886 -0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.662 -5.843 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.587 -5.996 -0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.351 -5.264 -2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.760 -4.664 -0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.268 -4.018 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.653 -8.111 -2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.816 -8.357 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.877 -8.202 -2.086 1.00 0.00 H new ATOM 866 N LYS A 54 8.100 -5.945 1.711 1.00 0.00 N ATOM 867 CA LYS A 54 9.156 -6.819 2.295 1.00 0.00 C ATOM 868 C LYS A 54 9.514 -6.329 3.698 1.00 0.00 C ATOM 869 O LYS A 54 9.944 -7.087 4.542 1.00 0.00 O ATOM 870 CB LYS A 54 10.354 -6.677 1.354 1.00 0.00 C ATOM 871 CG LYS A 54 11.556 -7.420 1.943 1.00 0.00 C ATOM 872 CD LYS A 54 12.419 -7.972 0.807 1.00 0.00 C ATOM 873 CE LYS A 54 12.972 -6.814 -0.026 1.00 0.00 C ATOM 874 NZ LYS A 54 13.428 -7.439 -1.297 1.00 0.00 N ATOM 0 H LYS A 54 8.375 -4.976 1.552 1.00 0.00 H new ATOM 0 HA LYS A 54 8.836 -7.857 2.388 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.109 -7.081 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.597 -5.624 1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.144 -6.746 2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.216 -8.233 2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.238 -8.564 1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.828 -8.636 0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.207 -6.059 -0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.795 -6.316 0.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.821 -6.707 -1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.160 -8.149 -1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.622 -7.899 -1.766 1.00 0.00 H new ATOM 888 N PHE A 55 9.333 -5.062 3.950 1.00 0.00 N ATOM 889 CA PHE A 55 9.656 -4.516 5.298 1.00 0.00 C ATOM 890 C PHE A 55 8.728 -5.135 6.348 1.00 0.00 C ATOM 891 O PHE A 55 7.555 -5.338 6.109 1.00 0.00 O ATOM 892 CB PHE A 55 9.412 -3.010 5.181 1.00 0.00 C ATOM 893 CG PHE A 55 10.736 -2.290 5.079 1.00 0.00 C ATOM 894 CD1 PHE A 55 11.796 -2.658 5.917 1.00 0.00 C ATOM 895 CD2 PHE A 55 10.905 -1.257 4.148 1.00 0.00 C ATOM 896 CE1 PHE A 55 13.025 -1.992 5.824 1.00 0.00 C ATOM 897 CE2 PHE A 55 12.134 -0.591 4.056 1.00 0.00 C ATOM 898 CZ PHE A 55 13.193 -0.960 4.894 1.00 0.00 C ATOM 0 H PHE A 55 8.975 -4.381 3.280 1.00 0.00 H new ATOM 0 HA PHE A 55 10.678 -4.738 5.606 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.802 -2.797 4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.858 -2.652 6.049 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.666 -3.455 6.634 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.088 -0.974 3.501 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.843 -2.275 6.470 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.264 0.206 3.339 1.00 0.00 H new ATOM 0 HZ PHE A 55 14.141 -0.447 4.823 1.00 0.00 H new ATOM 908 N ASN A 56 9.246 -5.440 7.506 1.00 0.00 N ATOM 909 CA ASN A 56 8.393 -6.050 8.566 1.00 0.00 C ATOM 910 C ASN A 56 7.191 -5.149 8.862 1.00 0.00 C ATOM 911 O ASN A 56 6.182 -5.591 9.374 1.00 0.00 O ATOM 912 CB ASN A 56 9.300 -6.152 9.792 1.00 0.00 C ATOM 913 CG ASN A 56 10.036 -4.826 9.993 1.00 0.00 C ATOM 914 OD1 ASN A 56 11.261 -4.702 9.560 1.00 0.00 O flip ATOM 915 ND2 ASN A 56 9.490 -3.894 10.550 1.00 0.00 N flip ATOM 0 H ASN A 56 10.222 -5.294 7.764 1.00 0.00 H new ATOM 0 HA ASN A 56 7.996 -7.021 8.269 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.709 -6.390 10.676 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.017 -6.962 9.661 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.533 -3.992 10.888 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.989 -3.014 10.679 1.00 0.00 H new ATOM 922 N ARG A 57 7.291 -3.887 8.545 1.00 0.00 N ATOM 923 CA ARG A 57 6.154 -2.959 8.810 1.00 0.00 C ATOM 924 C ARG A 57 4.927 -3.367 7.990 1.00 0.00 C ATOM 925 O ARG A 57 3.815 -3.370 8.481 1.00 0.00 O ATOM 926 CB ARG A 57 6.659 -1.583 8.372 1.00 0.00 C ATOM 927 CG ARG A 57 6.432 -0.573 9.498 1.00 0.00 C ATOM 928 CD ARG A 57 5.273 0.356 9.126 1.00 0.00 C ATOM 929 NE ARG A 57 4.563 0.617 10.409 1.00 0.00 N ATOM 930 CZ ARG A 57 3.553 1.443 10.441 1.00 0.00 C ATOM 931 NH1 ARG A 57 3.162 2.041 9.347 1.00 0.00 N ATOM 932 NH2 ARG A 57 2.934 1.673 11.565 1.00 0.00 N ATOM 0 H ARG A 57 8.110 -3.458 8.114 1.00 0.00 H new ATOM 0 HA ARG A 57 5.849 -2.970 9.856 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.719 -1.635 8.124 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.137 -1.262 7.471 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.209 -1.094 10.429 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.338 0.009 9.667 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.636 1.282 8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.611 -0.111 8.396 1.00 0.00 H new ATOM 0 HE ARG A 57 4.866 0.150 11.263 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.646 1.862 8.467 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.373 2.686 9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.239 1.207 12.420 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.145 2.319 11.590 1.00 0.00 H new ATOM 946 N LEU A 58 5.116 -3.709 6.744 1.00 0.00 N ATOM 947 CA LEU A 58 3.955 -4.111 5.897 1.00 0.00 C ATOM 948 C LEU A 58 3.955 -5.627 5.675 1.00 0.00 C ATOM 949 O LEU A 58 2.919 -6.262 5.672 1.00 0.00 O ATOM 950 CB LEU A 58 4.159 -3.380 4.570 1.00 0.00 C ATOM 951 CG LEU A 58 2.827 -2.804 4.091 1.00 0.00 C ATOM 952 CD1 LEU A 58 3.083 -1.557 3.243 1.00 0.00 C ATOM 953 CD2 LEU A 58 2.094 -3.851 3.248 1.00 0.00 C ATOM 0 H LEU A 58 6.022 -3.728 6.276 1.00 0.00 H new ATOM 0 HA LEU A 58 3.002 -3.858 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.889 -2.580 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.560 -4.066 3.823 1.00 0.00 H new ATOM 0 HG LEU A 58 2.217 -2.536 4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.132 -1.147 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.606 -0.811 3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.694 -1.823 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.144 -3.442 2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.706 -4.118 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.910 -4.740 3.851 1.00 0.00 H new ATOM 965 N ASN A 59 5.107 -6.210 5.489 1.00 0.00 N ATOM 966 CA ASN A 59 5.166 -7.683 5.265 1.00 0.00 C ATOM 967 C ASN A 59 4.484 -8.420 6.420 1.00 0.00 C ATOM 968 O ASN A 59 4.063 -9.551 6.284 1.00 0.00 O ATOM 969 CB ASN A 59 6.658 -8.018 5.216 1.00 0.00 C ATOM 970 CG ASN A 59 6.853 -9.520 5.428 1.00 0.00 C ATOM 971 OD1 ASN A 59 6.763 -10.014 6.633 1.00 0.00 O flip ATOM 972 ND2 ASN A 59 7.091 -10.252 4.489 1.00 0.00 N flip ATOM 0 H ASN A 59 6.008 -5.732 5.482 1.00 0.00 H new ATOM 0 HA ASN A 59 4.653 -7.984 4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.077 -7.719 4.255 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.192 -7.459 5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.161 -9.867 3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.220 -11.252 4.642 1.00 0.00 H new ATOM 979 N ARG A 60 4.373 -7.788 7.555 1.00 0.00 N ATOM 980 CA ARG A 60 3.718 -8.452 8.717 1.00 0.00 C ATOM 981 C ARG A 60 2.207 -8.562 8.487 1.00 0.00 C ATOM 982 O ARG A 60 1.482 -9.085 9.310 1.00 0.00 O ATOM 983 CB ARG A 60 4.011 -7.541 9.910 1.00 0.00 C ATOM 984 CG ARG A 60 3.611 -8.250 11.206 1.00 0.00 C ATOM 985 CD ARG A 60 3.094 -7.221 12.214 1.00 0.00 C ATOM 986 NE ARG A 60 1.615 -7.390 12.212 1.00 0.00 N ATOM 987 CZ ARG A 60 0.847 -6.441 12.673 1.00 0.00 C ATOM 988 NH1 ARG A 60 1.371 -5.339 13.136 1.00 0.00 N ATOM 989 NH2 ARG A 60 -0.449 -6.594 12.671 1.00 0.00 N ATOM 0 H ARG A 60 4.708 -6.840 7.729 1.00 0.00 H new ATOM 0 HA ARG A 60 4.089 -9.465 8.874 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.071 -7.286 9.935 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.461 -6.605 9.810 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.841 -8.994 11.003 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.467 -8.782 11.621 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.510 -7.397 13.206 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.376 -6.209 11.925 1.00 0.00 H new ATOM 0 HE ARG A 60 1.201 -8.249 11.850 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.384 -5.218 13.138 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.768 -4.599 13.496 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.860 -7.454 12.309 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.051 -5.853 13.031 1.00 0.00 H new ATOM 1003 N LEU A 61 1.724 -8.073 7.376 1.00 0.00 N ATOM 1004 CA LEU A 61 0.260 -8.152 7.105 1.00 0.00 C ATOM 1005 C LEU A 61 -0.001 -8.432 5.621 1.00 0.00 C ATOM 1006 O LEU A 61 -0.179 -9.563 5.215 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.289 -6.781 7.498 1.00 0.00 C ATOM 1008 CG LEU A 61 -1.106 -6.908 8.785 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -1.801 -5.578 9.083 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -2.158 -8.006 8.613 1.00 0.00 C ATOM 0 H LEU A 61 2.278 -7.624 6.647 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.216 -8.959 7.662 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.531 -6.077 7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.912 -6.384 6.697 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.444 -7.164 9.612 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.383 -5.669 10.000 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.052 -4.795 9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.464 -5.321 8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.741 -8.098 9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.820 -7.749 7.786 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.663 -8.954 8.401 1.00 0.00 H new ATOM 1022 N THR A 62 -0.035 -7.410 4.809 1.00 0.00 N ATOM 1023 CA THR A 62 -0.293 -7.622 3.354 1.00 0.00 C ATOM 1024 C THR A 62 1.022 -7.625 2.570 1.00 0.00 C ATOM 1025 O THR A 62 1.919 -6.850 2.834 1.00 0.00 O ATOM 1026 CB THR A 62 -1.168 -6.438 2.932 1.00 0.00 C ATOM 1027 OG1 THR A 62 -2.510 -6.682 3.329 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.106 -6.267 1.413 1.00 0.00 C ATOM 0 H THR A 62 0.104 -6.439 5.089 1.00 0.00 H new ATOM 0 HA THR A 62 -0.776 -8.579 3.158 1.00 0.00 H new ATOM 0 HB THR A 62 -0.805 -5.528 3.410 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.803 -5.977 3.944 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.730 -5.424 1.116 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.076 -6.081 1.110 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.468 -7.174 0.930 1.00 0.00 H new ATOM 1036 N THR A 63 1.140 -8.494 1.601 1.00 0.00 N ATOM 1037 CA THR A 63 2.392 -8.549 0.793 1.00 0.00 C ATOM 1038 C THR A 63 2.070 -8.917 -0.658 1.00 0.00 C ATOM 1039 O THR A 63 2.951 -9.166 -1.457 1.00 0.00 O ATOM 1040 CB THR A 63 3.238 -9.643 1.445 1.00 0.00 C ATOM 1041 OG1 THR A 63 2.403 -10.482 2.229 1.00 0.00 O ATOM 1042 CG2 THR A 63 4.305 -9.004 2.334 1.00 0.00 C ATOM 0 H THR A 63 0.423 -9.168 1.335 1.00 0.00 H new ATOM 0 HA THR A 63 2.910 -7.590 0.771 1.00 0.00 H new ATOM 0 HB THR A 63 3.724 -10.237 0.671 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.944 -11.185 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.907 -9.785 2.798 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.946 -8.363 1.729 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.823 -8.408 3.109 1.00 0.00 H new ATOM 1050 N ASP A 64 0.812 -8.956 -1.007 1.00 0.00 N ATOM 1051 CA ASP A 64 0.436 -9.310 -2.407 1.00 0.00 C ATOM 1052 C ASP A 64 0.486 -8.068 -3.299 1.00 0.00 C ATOM 1053 O ASP A 64 -0.418 -7.255 -3.297 1.00 0.00 O ATOM 1054 CB ASP A 64 -0.993 -9.844 -2.310 1.00 0.00 C ATOM 1055 CG ASP A 64 -0.965 -11.300 -1.845 1.00 0.00 C ATOM 1056 OD1 ASP A 64 -0.106 -12.033 -2.308 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -1.803 -11.660 -1.035 1.00 0.00 O ATOM 0 H ASP A 64 0.029 -8.758 -0.384 1.00 0.00 H new ATOM 0 HA ASP A 64 1.116 -10.041 -2.845 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.571 -9.239 -1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.486 -9.770 -3.279 1.00 0.00 H new ATOM 1062 N PHE A 65 1.538 -7.913 -4.057 1.00 0.00 N ATOM 1063 CA PHE A 65 1.652 -6.722 -4.950 1.00 0.00 C ATOM 1064 C PHE A 65 0.280 -6.354 -5.527 1.00 0.00 C ATOM 1065 O PHE A 65 -0.063 -5.196 -5.640 1.00 0.00 O ATOM 1066 CB PHE A 65 2.600 -7.148 -6.069 1.00 0.00 C ATOM 1067 CG PHE A 65 4.032 -7.015 -5.607 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.432 -5.895 -4.867 1.00 0.00 C ATOM 1069 CD2 PHE A 65 4.962 -8.013 -5.923 1.00 0.00 C ATOM 1070 CE1 PHE A 65 5.761 -5.774 -4.446 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.291 -7.892 -5.500 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.690 -6.772 -4.761 1.00 0.00 C ATOM 0 H PHE A 65 2.325 -8.560 -4.097 1.00 0.00 H new ATOM 0 HA PHE A 65 2.019 -5.846 -4.415 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.396 -8.179 -6.358 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.435 -6.531 -6.952 1.00 0.00 H new ATOM 0 HD1 PHE A 65 3.715 -5.125 -4.622 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.654 -8.877 -6.493 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.070 -4.909 -3.877 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.008 -8.662 -5.744 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.715 -6.678 -4.434 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.505 -7.330 -5.893 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.849 -7.024 -6.464 1.00 0.00 C ATOM 1084 C ASN A 66 -2.764 -6.451 -5.378 1.00 0.00 C ATOM 1085 O ASN A 66 -3.484 -5.498 -5.599 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.384 -8.368 -6.959 1.00 0.00 C ATOM 1087 CG ASN A 66 -2.866 -8.224 -8.404 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -2.403 -8.923 -9.283 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -3.783 -7.339 -8.688 1.00 0.00 N ATOM 0 H ASN A 66 -0.276 -8.322 -5.822 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.800 -6.285 -7.264 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.604 -9.127 -6.899 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.203 -8.702 -6.323 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.111 -7.234 -9.648 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.172 -6.752 -7.950 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.734 -7.019 -4.204 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.594 -6.501 -3.101 1.00 0.00 C ATOM 1098 C VAL A 67 -3.065 -5.147 -2.620 1.00 0.00 C ATOM 1099 O VAL A 67 -3.811 -4.208 -2.424 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.485 -7.548 -1.993 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -4.393 -7.157 -0.828 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -3.916 -8.911 -2.539 1.00 0.00 C ATOM 0 H VAL A 67 -2.151 -7.820 -3.960 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.627 -6.347 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.453 -7.603 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.314 -7.904 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.088 -6.185 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.425 -7.102 -1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.839 -9.660 -1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.948 -8.854 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.269 -9.191 -3.370 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.778 -5.044 -2.432 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.185 -3.758 -1.968 1.00 0.00 C ATOM 1114 C ILE A 68 -1.337 -2.690 -3.052 1.00 0.00 C ATOM 1115 O ILE A 68 -1.698 -1.561 -2.784 1.00 0.00 O ATOM 1116 CB ILE A 68 0.290 -4.081 -1.726 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.904 -3.019 -0.802 1.00 0.00 C ATOM 1118 CG2 ILE A 68 1.042 -4.115 -3.060 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.831 -2.098 -1.601 1.00 0.00 C ATOM 0 H ILE A 68 -1.109 -5.799 -2.581 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.670 -3.368 -1.073 1.00 0.00 H new ATOM 0 HB ILE A 68 0.372 -5.059 -1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.114 -2.434 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.462 -3.502 -0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.092 -4.346 -2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.608 -4.880 -3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.962 -3.143 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.261 -1.349 -0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.631 -2.687 -2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.262 -1.602 -2.387 1.00 0.00 H new ATOM 1131 N VAL A 69 -1.063 -3.044 -4.274 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.187 -2.059 -5.388 1.00 0.00 C ATOM 1133 C VAL A 69 -2.632 -1.564 -5.501 1.00 0.00 C ATOM 1134 O VAL A 69 -2.883 -0.420 -5.822 1.00 0.00 O ATOM 1135 CB VAL A 69 -0.787 -2.831 -6.644 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -1.238 -2.058 -7.885 1.00 0.00 C ATOM 1137 CG2 VAL A 69 0.733 -3.003 -6.677 1.00 0.00 C ATOM 0 H VAL A 69 -0.757 -3.976 -4.553 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.562 -1.180 -5.232 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.264 -3.811 -6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.952 -2.609 -8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.321 -1.936 -7.864 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.762 -1.077 -7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.017 -3.554 -7.573 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.210 -2.023 -6.687 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.056 -3.555 -5.794 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.584 -2.419 -5.245 1.00 0.00 N ATOM 1148 CA GLU A 70 -5.011 -2.001 -5.344 1.00 0.00 C ATOM 1149 C GLU A 70 -5.344 -0.964 -4.267 1.00 0.00 C ATOM 1150 O GLU A 70 -5.920 0.070 -4.543 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.813 -3.282 -5.121 1.00 0.00 C ATOM 1152 CG GLU A 70 -6.347 -3.792 -6.460 1.00 0.00 C ATOM 1153 CD GLU A 70 -7.228 -2.719 -7.101 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -8.114 -2.227 -6.423 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -7.001 -2.406 -8.259 1.00 0.00 O ATOM 0 H GLU A 70 -3.435 -3.390 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.237 -1.537 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.184 -4.041 -4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.640 -3.091 -4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.518 -4.041 -7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.921 -4.707 -6.310 1.00 0.00 H new ATOM 1162 N ALA A 71 -4.991 -1.235 -3.040 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.295 -0.267 -1.946 1.00 0.00 C ATOM 1164 C ALA A 71 -4.585 1.066 -2.196 1.00 0.00 C ATOM 1165 O ALA A 71 -5.190 2.119 -2.160 1.00 0.00 O ATOM 1166 CB ALA A 71 -4.763 -0.927 -0.675 1.00 0.00 C ATOM 0 H ALA A 71 -4.506 -2.083 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.360 -0.047 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.949 -0.275 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.269 -1.880 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.691 -1.097 -0.775 1.00 0.00 H new ATOM 1172 N LEU A 72 -3.304 1.032 -2.446 1.00 0.00 N ATOM 1173 CA LEU A 72 -2.559 2.301 -2.692 1.00 0.00 C ATOM 1174 C LEU A 72 -2.951 2.896 -4.048 1.00 0.00 C ATOM 1175 O LEU A 72 -2.913 4.094 -4.245 1.00 0.00 O ATOM 1176 CB LEU A 72 -1.083 1.901 -2.684 1.00 0.00 C ATOM 1177 CG LEU A 72 -0.739 1.191 -3.992 1.00 0.00 C ATOM 1178 CD1 LEU A 72 -0.408 2.231 -5.065 1.00 0.00 C ATOM 1179 CD2 LEU A 72 0.472 0.283 -3.773 1.00 0.00 C ATOM 0 H LEU A 72 -2.742 0.182 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.779 3.060 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.457 2.785 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.878 1.246 -1.838 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.590 0.592 -4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.162 1.725 -5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.269 2.881 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.444 2.829 -4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.719 -0.225 -4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.323 0.883 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.238 -0.457 -3.008 1.00 0.00 H new ATOM 1191 N SER A 73 -3.329 2.069 -4.985 1.00 0.00 N ATOM 1192 CA SER A 73 -3.723 2.592 -6.326 1.00 0.00 C ATOM 1193 C SER A 73 -4.878 3.586 -6.187 1.00 0.00 C ATOM 1194 O SER A 73 -5.191 4.321 -7.103 1.00 0.00 O ATOM 1195 CB SER A 73 -4.167 1.365 -7.119 1.00 0.00 C ATOM 1196 OG SER A 73 -5.105 1.763 -8.112 1.00 0.00 O ATOM 0 H SER A 73 -3.382 1.056 -4.881 1.00 0.00 H new ATOM 0 HA SER A 73 -2.906 3.120 -6.818 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.305 0.888 -7.586 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.616 0.629 -6.452 1.00 0.00 H new ATOM 0 HG SER A 73 -5.392 0.978 -8.625 1.00 0.00 H new ATOM 1301 N MET A 80 1.941 11.853 -1.298 1.00 0.00 N ATOM 1302 CA MET A 80 2.954 11.303 -2.245 1.00 0.00 C ATOM 1303 C MET A 80 2.383 11.266 -3.665 1.00 0.00 C ATOM 1304 O MET A 80 1.414 11.931 -3.972 1.00 0.00 O ATOM 1305 CB MET A 80 3.239 9.886 -1.745 1.00 0.00 C ATOM 1306 CG MET A 80 4.479 9.902 -0.849 1.00 0.00 C ATOM 1307 SD MET A 80 5.587 8.553 -1.329 1.00 0.00 S ATOM 1308 CE MET A 80 4.418 7.197 -1.070 1.00 0.00 C ATOM 0 HA MET A 80 3.858 11.911 -2.281 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.381 9.505 -1.191 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.396 9.215 -2.590 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.993 10.859 -0.939 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.188 9.793 0.196 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.965 6.288 -0.819 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.742 7.450 -0.253 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.842 7.034 -1.981 1.00 0.00 H new ATOM 1318 N GLU A 81 2.978 10.495 -4.533 1.00 0.00 N ATOM 1319 CA GLU A 81 2.469 10.417 -5.933 1.00 0.00 C ATOM 1320 C GLU A 81 2.759 9.035 -6.525 1.00 0.00 C ATOM 1321 O GLU A 81 3.897 8.654 -6.709 1.00 0.00 O ATOM 1322 CB GLU A 81 3.236 11.499 -6.694 1.00 0.00 C ATOM 1323 CG GLU A 81 2.246 12.403 -7.432 1.00 0.00 C ATOM 1324 CD GLU A 81 2.051 11.887 -8.859 1.00 0.00 C ATOM 1325 OE1 GLU A 81 1.236 10.996 -9.039 1.00 0.00 O ATOM 1326 OE2 GLU A 81 2.718 12.391 -9.747 1.00 0.00 O ATOM 0 H GLU A 81 3.794 9.916 -4.334 1.00 0.00 H new ATOM 0 HA GLU A 81 1.391 10.566 -5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.837 12.089 -6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.925 11.041 -7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.291 12.420 -6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.618 13.428 -7.452 1.00 0.00 H new ATOM 1333 N ILE A 82 1.736 8.283 -6.826 1.00 0.00 N ATOM 1334 CA ILE A 82 1.952 6.928 -7.410 1.00 0.00 C ATOM 1335 C ILE A 82 2.015 7.018 -8.937 1.00 0.00 C ATOM 1336 O ILE A 82 1.267 7.749 -9.556 1.00 0.00 O ATOM 1337 CB ILE A 82 0.737 6.110 -6.969 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.616 6.157 -5.444 1.00 0.00 C ATOM 1339 CG2 ILE A 82 0.907 4.659 -7.422 1.00 0.00 C ATOM 1340 CD1 ILE A 82 1.850 5.508 -4.813 1.00 0.00 C ATOM 0 H ILE A 82 0.760 8.548 -6.693 1.00 0.00 H new ATOM 0 HA ILE A 82 2.888 6.477 -7.079 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.164 6.528 -7.418 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.523 7.190 -5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.286 5.635 -5.124 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.041 4.076 -7.108 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.993 4.625 -8.508 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.808 4.241 -6.973 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.764 5.542 -3.727 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.922 4.471 -5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.744 6.049 -5.123 1.00 0.00 H new ATOM 1352 N SER A 83 2.902 6.284 -9.549 1.00 0.00 N ATOM 1353 CA SER A 83 3.011 6.334 -11.036 1.00 0.00 C ATOM 1354 C SER A 83 1.791 5.672 -11.680 1.00 0.00 C ATOM 1355 O SER A 83 0.834 5.329 -11.013 1.00 0.00 O ATOM 1356 CB SER A 83 4.282 5.556 -11.367 1.00 0.00 C ATOM 1357 OG SER A 83 5.216 6.426 -11.990 1.00 0.00 O ATOM 0 H SER A 83 3.556 5.652 -9.086 1.00 0.00 H new ATOM 0 HA SER A 83 3.051 7.356 -11.412 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.711 5.134 -10.458 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.049 4.721 -12.027 1.00 0.00 H new ATOM 0 HG SER A 83 5.750 6.878 -11.304 1.00 0.00 H new ATOM 1363 N GLU A 84 1.814 5.496 -12.973 1.00 0.00 N ATOM 1364 CA GLU A 84 0.653 4.862 -13.661 1.00 0.00 C ATOM 1365 C GLU A 84 0.741 3.335 -13.581 1.00 0.00 C ATOM 1366 O GLU A 84 -0.213 2.637 -13.865 1.00 0.00 O ATOM 1367 CB GLU A 84 0.755 5.326 -15.115 1.00 0.00 C ATOM 1368 CG GLU A 84 -0.041 6.619 -15.298 1.00 0.00 C ATOM 1369 CD GLU A 84 -1.018 6.457 -16.464 1.00 0.00 C ATOM 1370 OE1 GLU A 84 -1.542 5.367 -16.624 1.00 0.00 O ATOM 1371 OE2 GLU A 84 -1.227 7.426 -17.175 1.00 0.00 O ATOM 0 H GLU A 84 2.586 5.764 -13.583 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.295 5.144 -13.202 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.799 5.489 -15.383 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.371 4.554 -15.782 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.585 6.856 -14.384 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.636 7.451 -15.490 1.00 0.00 H new ATOM 1378 N ASP A 85 1.874 2.805 -13.203 1.00 0.00 N ATOM 1379 CA ASP A 85 1.999 1.320 -13.120 1.00 0.00 C ATOM 1380 C ASP A 85 1.299 0.796 -11.862 1.00 0.00 C ATOM 1381 O ASP A 85 1.065 -0.388 -11.719 1.00 0.00 O ATOM 1382 CB ASP A 85 3.503 1.052 -13.047 1.00 0.00 C ATOM 1383 CG ASP A 85 4.215 1.836 -14.153 1.00 0.00 C ATOM 1384 OD1 ASP A 85 4.210 3.054 -14.084 1.00 0.00 O ATOM 1385 OD2 ASP A 85 4.752 1.204 -15.048 1.00 0.00 O ATOM 0 H ASP A 85 2.711 3.330 -12.950 1.00 0.00 H new ATOM 0 HA ASP A 85 1.536 0.820 -13.971 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.889 1.347 -12.071 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.699 -0.014 -13.158 1.00 0.00 H new ATOM 1390 N LYS A 86 0.960 1.668 -10.952 1.00 0.00 N ATOM 1391 CA LYS A 86 0.269 1.218 -9.707 1.00 0.00 C ATOM 1392 C LYS A 86 1.150 0.238 -8.922 1.00 0.00 C ATOM 1393 O LYS A 86 0.706 -0.386 -7.980 1.00 0.00 O ATOM 1394 CB LYS A 86 -1.002 0.522 -10.192 1.00 0.00 C ATOM 1395 CG LYS A 86 -1.688 1.385 -11.252 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.152 0.963 -11.382 1.00 0.00 C ATOM 1397 CE LYS A 86 -3.234 -0.386 -12.102 1.00 0.00 C ATOM 1398 NZ LYS A 86 -4.343 -0.231 -13.084 1.00 0.00 N ATOM 0 H LYS A 86 1.131 2.672 -11.015 1.00 0.00 H new ATOM 0 HA LYS A 86 0.054 2.050 -9.036 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.757 -0.456 -10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.678 0.352 -9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.625 2.438 -10.976 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.180 1.275 -12.210 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.609 0.889 -10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.711 1.717 -11.936 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.295 -0.625 -12.601 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.437 -1.196 -11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.461 -1.116 -13.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.225 -0.011 -12.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.118 0.542 -13.742 1.00 0.00 H new ATOM 1412 N THR A 87 2.392 0.095 -9.299 1.00 0.00 N ATOM 1413 CA THR A 87 3.287 -0.848 -8.566 1.00 0.00 C ATOM 1414 C THR A 87 4.505 -0.102 -8.014 1.00 0.00 C ATOM 1415 O THR A 87 5.587 -0.647 -7.912 1.00 0.00 O ATOM 1416 CB THR A 87 3.718 -1.880 -9.611 1.00 0.00 C ATOM 1417 OG1 THR A 87 4.042 -1.215 -10.824 1.00 0.00 O ATOM 1418 CG2 THR A 87 2.577 -2.868 -9.857 1.00 0.00 C ATOM 0 H THR A 87 2.825 0.588 -10.080 1.00 0.00 H new ATOM 0 HA THR A 87 2.788 -1.313 -7.716 1.00 0.00 H new ATOM 0 HB THR A 87 4.591 -2.422 -9.248 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.320 -1.874 -11.494 1.00 0.00 H new ATOM 0 HG21 THR A 87 2.886 -3.602 -10.601 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.330 -3.377 -8.926 1.00 0.00 H new ATOM 0 HG23 THR A 87 1.701 -2.330 -10.220 1.00 0.00 H new ATOM 1426 N LYS A 88 4.337 1.142 -7.663 1.00 0.00 N ATOM 1427 CA LYS A 88 5.480 1.932 -7.123 1.00 0.00 C ATOM 1428 C LYS A 88 4.957 3.160 -6.367 1.00 0.00 C ATOM 1429 O LYS A 88 3.858 3.621 -6.602 1.00 0.00 O ATOM 1430 CB LYS A 88 6.304 2.341 -8.343 1.00 0.00 C ATOM 1431 CG LYS A 88 5.547 3.395 -9.152 1.00 0.00 C ATOM 1432 CD LYS A 88 5.582 3.017 -10.635 1.00 0.00 C ATOM 1433 CE LYS A 88 6.700 3.794 -11.335 1.00 0.00 C ATOM 1434 NZ LYS A 88 6.668 3.326 -12.748 1.00 0.00 N ATOM 0 H LYS A 88 3.454 1.648 -7.727 1.00 0.00 H new ATOM 0 HA LYS A 88 6.082 1.362 -6.416 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.268 2.737 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.507 1.469 -8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.515 3.463 -8.807 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.998 4.376 -9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.747 1.945 -10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.622 3.241 -11.101 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.533 4.869 -11.271 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.668 3.594 -10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.450 3.763 -13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.769 2.291 -12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.763 3.596 -13.183 1.00 0.00 H new ATOM 1448 N ILE A 89 5.738 3.698 -5.471 1.00 0.00 N ATOM 1449 CA ILE A 89 5.291 4.901 -4.709 1.00 0.00 C ATOM 1450 C ILE A 89 6.386 5.970 -4.741 1.00 0.00 C ATOM 1451 O ILE A 89 7.561 5.663 -4.767 1.00 0.00 O ATOM 1452 CB ILE A 89 5.059 4.406 -3.283 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.408 4.144 -2.607 1.00 0.00 C ATOM 1454 CG2 ILE A 89 4.250 3.109 -3.318 1.00 0.00 C ATOM 1455 CD1 ILE A 89 6.177 3.576 -1.206 1.00 0.00 C ATOM 0 H ILE A 89 6.669 3.356 -5.232 1.00 0.00 H new ATOM 0 HA ILE A 89 4.391 5.351 -5.128 1.00 0.00 H new ATOM 0 HB ILE A 89 4.511 5.163 -2.722 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.995 3.444 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 89 6.981 5.069 -2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.085 2.756 -2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.289 3.292 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.799 2.353 -3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 89 7.138 3.390 -0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.607 4.291 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.621 2.641 -1.279 1.00 0.00 H new ATOM 1467 N ARG A 90 6.016 7.220 -4.747 1.00 0.00 N ATOM 1468 CA ARG A 90 7.046 8.298 -4.786 1.00 0.00 C ATOM 1469 C ARG A 90 6.573 9.524 -3.999 1.00 0.00 C ATOM 1470 O ARG A 90 5.392 9.733 -3.807 1.00 0.00 O ATOM 1471 CB ARG A 90 7.196 8.635 -6.272 1.00 0.00 C ATOM 1472 CG ARG A 90 7.894 9.987 -6.432 1.00 0.00 C ATOM 1473 CD ARG A 90 6.848 11.071 -6.707 1.00 0.00 C ATOM 1474 NE ARG A 90 6.927 11.317 -8.173 1.00 0.00 N ATOM 1475 CZ ARG A 90 6.243 12.293 -8.709 1.00 0.00 C ATOM 1476 NH1 ARG A 90 5.491 13.053 -7.962 1.00 0.00 N ATOM 1477 NH2 ARG A 90 6.312 12.507 -9.995 1.00 0.00 N ATOM 0 H ARG A 90 5.048 7.542 -4.727 1.00 0.00 H new ATOM 0 HA ARG A 90 7.989 7.987 -4.336 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.772 7.857 -6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.216 8.663 -6.748 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.455 10.228 -5.529 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.612 9.943 -7.251 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.851 10.741 -6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.062 11.978 -6.142 1.00 0.00 H new ATOM 0 HE ARG A 90 7.515 10.724 -8.759 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.436 12.886 -6.957 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.958 13.814 -8.383 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.899 11.913 -10.580 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.779 13.268 -10.415 1.00 0.00 H new ATOM 1491 N ARG A 91 7.490 10.341 -3.555 1.00 0.00 N ATOM 1492 CA ARG A 91 7.102 11.562 -2.795 1.00 0.00 C ATOM 1493 C ARG A 91 7.085 12.763 -3.744 1.00 0.00 C ATOM 1494 O ARG A 91 7.972 12.932 -4.554 1.00 0.00 O ATOM 1495 CB ARG A 91 8.186 11.729 -1.726 1.00 0.00 C ATOM 1496 CG ARG A 91 8.310 13.205 -1.340 1.00 0.00 C ATOM 1497 CD ARG A 91 8.506 13.326 0.173 1.00 0.00 C ATOM 1498 NE ARG A 91 7.789 14.574 0.554 1.00 0.00 N ATOM 1499 CZ ARG A 91 6.484 14.602 0.572 1.00 0.00 C ATOM 1500 NH1 ARG A 91 5.803 13.536 0.250 1.00 0.00 N ATOM 1501 NH2 ARG A 91 5.860 15.696 0.913 1.00 0.00 N ATOM 0 H ARG A 91 8.493 10.214 -3.687 1.00 0.00 H new ATOM 0 HA ARG A 91 6.111 11.485 -2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.938 11.133 -0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.140 11.360 -2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.152 13.659 -1.863 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.415 13.747 -1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.097 12.461 0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.563 13.384 0.431 1.00 0.00 H new ATOM 0 HE ARG A 91 8.319 15.410 0.802 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.291 12.680 -0.016 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.783 13.559 0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.392 16.529 1.165 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.840 15.718 0.927 1.00 0.00 H new ATOM 1515 N SER A 92 6.084 13.593 -3.658 1.00 0.00 N ATOM 1516 CA SER A 92 6.021 14.770 -4.566 1.00 0.00 C ATOM 1517 C SER A 92 7.181 15.722 -4.277 1.00 0.00 C ATOM 1518 O SER A 92 7.199 16.389 -3.262 1.00 0.00 O ATOM 1519 CB SER A 92 4.684 15.441 -4.251 1.00 0.00 C ATOM 1520 OG SER A 92 4.114 15.939 -5.455 1.00 0.00 O ATOM 0 H SER A 92 5.309 13.507 -3.000 1.00 0.00 H new ATOM 0 HA SER A 92 6.097 14.487 -5.616 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.007 14.727 -3.783 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.831 16.255 -3.541 1.00 0.00 H new ATOM 0 HG SER A 92 3.256 16.369 -5.257 1.00 0.00 H new ATOM 1526 N PRO A 93 8.112 15.757 -5.191 1.00 0.00 N ATOM 1527 CA PRO A 93 9.290 16.645 -5.039 1.00 0.00 C ATOM 1528 C PRO A 93 8.830 18.098 -5.093 1.00 0.00 C ATOM 1529 O PRO A 93 9.483 18.994 -4.594 1.00 0.00 O ATOM 1530 CB PRO A 93 10.164 16.306 -6.246 1.00 0.00 C ATOM 1531 CG PRO A 93 9.240 15.665 -7.231 1.00 0.00 C ATOM 1532 CD PRO A 93 8.155 14.990 -6.437 1.00 0.00 C ATOM 0 HA PRO A 93 9.822 16.511 -4.097 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.624 17.202 -6.663 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.974 15.631 -5.969 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.818 16.410 -7.906 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.774 14.942 -7.848 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.199 15.020 -6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.386 13.941 -6.254 1.00 0.00 H new ATOM 1540 N SER A 94 7.698 18.331 -5.695 1.00 0.00 N ATOM 1541 CA SER A 94 7.168 19.716 -5.792 1.00 0.00 C ATOM 1542 C SER A 94 6.306 20.031 -4.569 1.00 0.00 C ATOM 1543 O SER A 94 5.742 21.101 -4.456 1.00 0.00 O ATOM 1544 CB SER A 94 6.317 19.724 -7.057 1.00 0.00 C ATOM 1545 OG SER A 94 7.133 19.395 -8.174 1.00 0.00 O ATOM 0 H SER A 94 7.114 17.615 -6.127 1.00 0.00 H new ATOM 0 HA SER A 94 7.961 20.463 -5.829 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.501 19.007 -6.965 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.865 20.706 -7.199 1.00 0.00 H new ATOM 0 HG SER A 94 6.589 19.398 -8.989 1.00 0.00 H new ATOM 1551 N LYS A 95 6.216 19.118 -3.638 1.00 0.00 N ATOM 1552 CA LYS A 95 5.410 19.383 -2.412 1.00 0.00 C ATOM 1553 C LYS A 95 6.325 19.318 -1.184 1.00 0.00 C ATOM 1554 O LYS A 95 7.009 18.337 -0.977 1.00 0.00 O ATOM 1555 CB LYS A 95 4.367 18.266 -2.369 1.00 0.00 C ATOM 1556 CG LYS A 95 3.148 18.737 -1.574 1.00 0.00 C ATOM 1557 CD LYS A 95 3.194 18.143 -0.166 1.00 0.00 C ATOM 1558 CE LYS A 95 1.863 17.452 0.140 1.00 0.00 C ATOM 1559 NZ LYS A 95 0.924 18.558 0.477 1.00 0.00 N ATOM 0 H LYS A 95 6.665 18.203 -3.674 1.00 0.00 H new ATOM 0 HA LYS A 95 4.939 20.366 -2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.070 17.992 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.792 17.374 -1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.135 19.826 -1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.232 18.431 -2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.013 17.428 -0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.385 18.928 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.508 16.881 -0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.963 16.752 0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.686 18.515 1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.374 19.472 0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.056 18.461 -0.088 1.00 0.00 H new ATOM 1573 N PRO A 96 6.316 20.370 -0.412 1.00 0.00 N ATOM 1574 CA PRO A 96 7.167 20.424 0.799 1.00 0.00 C ATOM 1575 C PRO A 96 6.717 19.393 1.831 1.00 0.00 C ATOM 1576 O PRO A 96 5.548 19.083 1.953 1.00 0.00 O ATOM 1577 CB PRO A 96 6.972 21.831 1.340 1.00 0.00 C ATOM 1578 CG PRO A 96 5.704 22.327 0.717 1.00 0.00 C ATOM 1579 CD PRO A 96 5.524 21.590 -0.587 1.00 0.00 C ATOM 0 HA PRO A 96 8.210 20.200 0.575 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.899 21.827 2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.814 22.472 1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 96 4.856 22.149 1.379 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.755 23.402 0.546 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.475 21.362 -0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.879 22.180 -1.432 1.00 0.00 H new ATOM 1587 N LEU A 97 7.641 18.886 2.591 1.00 0.00 N ATOM 1588 CA LEU A 97 7.293 17.901 3.644 1.00 0.00 C ATOM 1589 C LEU A 97 7.780 18.432 4.984 1.00 0.00 C ATOM 1590 O LEU A 97 8.955 18.668 5.180 1.00 0.00 O ATOM 1591 CB LEU A 97 7.979 16.586 3.264 1.00 0.00 C ATOM 1592 CG LEU A 97 9.318 16.442 3.991 1.00 0.00 C ATOM 1593 CD1 LEU A 97 9.067 16.067 5.455 1.00 0.00 C ATOM 1594 CD2 LEU A 97 10.142 15.338 3.323 1.00 0.00 C ATOM 0 H LEU A 97 8.633 19.115 2.527 1.00 0.00 H new ATOM 0 HA LEU A 97 6.219 17.736 3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.331 15.746 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.140 16.552 2.186 1.00 0.00 H new ATOM 0 HG LEU A 97 9.860 17.386 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.021 15.964 5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.476 16.847 5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.526 15.122 5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.096 15.233 3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.597 14.396 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.320 15.598 2.280 1.00 0.00 H new