USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.822 K(o=0.82,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.092 USER MOD Single : A 29 SER OG : rot 180:sc= 0.144 USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= 0.0305 (180deg=-1.14!) USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= 1.21 (180deg=0.782) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0176 USER MOD Single : A 47 LYS NZ :NH3+ 159:sc= 1.18 (180deg=0.903) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.744 X(o=-0.74,f=-1.1!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -158:sc= 1.23 (180deg=0.366) USER MOD Single : A 84 SER OG : rot 82:sc= 0.206 USER MOD Single : A 85 GLN : amide:sc=-0.00415 X(o=-0.0042,f=-0.2) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 160:sc= 1.05 (180deg=0.484) USER MOD Single : A 93 ASN : amide:sc= 0.341 X(o=0.34,f=-0.043) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 10.605 -3.085 -4.471 1.00 0.00 N ATOM 191 CA ILE A 16 9.794 -1.925 -4.122 1.00 0.00 C ATOM 192 C ILE A 16 8.313 -2.297 -4.122 1.00 0.00 C ATOM 193 O ILE A 16 7.557 -1.888 -3.241 1.00 0.00 O ATOM 194 CB ILE A 16 10.029 -0.752 -5.099 1.00 0.00 C ATOM 195 CG1 ILE A 16 11.526 -0.559 -5.349 1.00 0.00 C ATOM 196 CG2 ILE A 16 9.414 0.527 -4.552 1.00 0.00 C ATOM 197 CD1 ILE A 16 11.885 -0.421 -6.813 1.00 0.00 C ATOM 0 HA ILE A 16 10.093 -1.605 -3.124 1.00 0.00 H new ATOM 0 HB ILE A 16 9.546 -0.990 -6.047 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.863 0.330 -4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 16 12.068 -1.407 -4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.589 1.343 -5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.341 0.387 -4.418 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.871 0.769 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.962 -0.287 -6.912 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.580 -1.320 -7.349 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.372 0.444 -7.234 1.00 0.00 H new ATOM 209 N ASN A 17 7.920 -3.116 -5.093 1.00 0.00 N ATOM 210 CA ASN A 17 6.542 -3.592 -5.194 1.00 0.00 C ATOM 211 C ASN A 17 6.164 -4.431 -3.974 1.00 0.00 C ATOM 212 O ASN A 17 5.003 -4.476 -3.574 1.00 0.00 O ATOM 213 CB ASN A 17 6.351 -4.413 -6.474 1.00 0.00 C ATOM 214 CG ASN A 17 4.952 -4.277 -7.052 1.00 0.00 C ATOM 215 OD1 ASN A 17 3.988 -4.846 -6.532 1.00 0.00 O ATOM 216 ND2 ASN A 17 4.832 -3.526 -8.137 1.00 0.00 N ATOM 0 H ASN A 17 8.539 -3.466 -5.825 1.00 0.00 H new ATOM 0 HA ASN A 17 5.887 -2.721 -5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.080 -4.094 -7.218 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.552 -5.463 -6.261 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.918 -3.402 -8.573 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.653 -3.072 -8.537 1.00 0.00 H new ATOM 223 N ASN A 18 7.162 -5.050 -3.354 1.00 0.00 N ATOM 224 CA ASN A 18 6.945 -5.834 -2.144 1.00 0.00 C ATOM 225 C ASN A 18 6.602 -4.916 -0.974 1.00 0.00 C ATOM 226 O ASN A 18 5.752 -5.241 -0.144 1.00 0.00 O ATOM 227 CB ASN A 18 8.188 -6.675 -1.824 1.00 0.00 C ATOM 228 CG ASN A 18 8.421 -6.863 -0.334 1.00 0.00 C ATOM 229 OD1 ASN A 18 7.673 -7.567 0.340 1.00 0.00 O ATOM 230 ND2 ASN A 18 9.465 -6.236 0.187 1.00 0.00 N ATOM 0 H ASN A 18 8.131 -5.024 -3.670 1.00 0.00 H new ATOM 0 HA ASN A 18 6.106 -6.510 -2.310 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.087 -7.653 -2.295 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.064 -6.198 -2.264 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.672 -6.329 1.182 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.062 -5.660 -0.406 1.00 0.00 H new ATOM 237 N TYR A 19 7.221 -3.741 -0.943 1.00 0.00 N ATOM 238 CA TYR A 19 6.929 -2.760 0.096 1.00 0.00 C ATOM 239 C TYR A 19 5.524 -2.196 -0.083 1.00 0.00 C ATOM 240 O TYR A 19 4.814 -1.951 0.890 1.00 0.00 O ATOM 241 CB TYR A 19 7.963 -1.633 0.088 1.00 0.00 C ATOM 242 CG TYR A 19 8.717 -1.512 1.394 1.00 0.00 C ATOM 243 CD1 TYR A 19 8.191 -0.790 2.460 1.00 0.00 C ATOM 244 CD2 TYR A 19 9.948 -2.131 1.565 1.00 0.00 C ATOM 245 CE1 TYR A 19 8.873 -0.689 3.658 1.00 0.00 C ATOM 246 CE2 TYR A 19 10.634 -2.036 2.759 1.00 0.00 C ATOM 247 CZ TYR A 19 10.092 -1.314 3.802 1.00 0.00 C ATOM 248 OH TYR A 19 10.772 -1.224 4.996 1.00 0.00 O ATOM 0 H TYR A 19 7.924 -3.446 -1.621 1.00 0.00 H new ATOM 0 HA TYR A 19 6.981 -3.262 1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.673 -1.805 -0.721 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.461 -0.689 -0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.235 -0.301 2.350 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.376 -2.696 0.750 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.453 -0.123 4.476 1.00 0.00 H new ATOM 0 HE2 TYR A 19 11.590 -2.524 2.876 1.00 0.00 H new ATOM 0 HH TYR A 19 11.614 -1.722 4.931 1.00 0.00 H new ATOM 258 N ALA A 20 5.077 -2.124 -1.329 1.00 0.00 N ATOM 259 CA ALA A 20 3.703 -1.743 -1.619 1.00 0.00 C ATOM 260 C ALA A 20 2.761 -2.888 -1.262 1.00 0.00 C ATOM 261 O ALA A 20 1.629 -2.673 -0.827 1.00 0.00 O ATOM 262 CB ALA A 20 3.556 -1.362 -3.087 1.00 0.00 C ATOM 0 H ALA A 20 5.644 -2.324 -2.153 1.00 0.00 H new ATOM 0 HA ALA A 20 3.441 -0.874 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.523 -1.080 -3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.212 -0.521 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.828 -2.212 -3.713 1.00 0.00 H new ATOM 268 N GLY A 21 3.253 -4.106 -1.441 1.00 0.00 N ATOM 269 CA GLY A 21 2.475 -5.285 -1.135 1.00 0.00 C ATOM 270 C GLY A 21 2.246 -5.469 0.352 1.00 0.00 C ATOM 271 O GLY A 21 1.209 -5.988 0.758 1.00 0.00 O ATOM 0 H GLY A 21 4.189 -4.297 -1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.512 -5.220 -1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.984 -6.164 -1.531 1.00 0.00 H new ATOM 275 N GLN A 22 3.209 -5.047 1.168 1.00 0.00 N ATOM 276 CA GLN A 22 3.096 -5.178 2.621 1.00 0.00 C ATOM 277 C GLN A 22 1.876 -4.418 3.144 1.00 0.00 C ATOM 278 O GLN A 22 1.240 -4.837 4.113 1.00 0.00 O ATOM 279 CB GLN A 22 4.380 -4.690 3.313 1.00 0.00 C ATOM 280 CG GLN A 22 4.410 -3.198 3.618 1.00 0.00 C ATOM 281 CD GLN A 22 4.296 -2.893 5.101 1.00 0.00 C ATOM 282 OE1 GLN A 22 5.243 -3.086 5.860 1.00 0.00 O ATOM 283 NE2 GLN A 22 3.134 -2.419 5.525 1.00 0.00 N ATOM 0 H GLN A 22 4.075 -4.612 0.850 1.00 0.00 H new ATOM 0 HA GLN A 22 2.962 -6.234 2.856 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.506 -5.240 4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.233 -4.935 2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.338 -2.773 3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.593 -2.708 3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.371 -2.272 4.864 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.002 -2.201 6.513 1.00 0.00 H new ATOM 292 N ILE A 23 1.512 -3.341 2.457 1.00 0.00 N ATOM 293 CA ILE A 23 0.324 -2.579 2.813 1.00 0.00 C ATOM 294 C ILE A 23 -0.928 -3.319 2.349 1.00 0.00 C ATOM 295 O ILE A 23 -1.958 -3.303 3.019 1.00 0.00 O ATOM 296 CB ILE A 23 0.336 -1.166 2.190 1.00 0.00 C ATOM 297 CG1 ILE A 23 1.747 -0.576 2.229 1.00 0.00 C ATOM 298 CG2 ILE A 23 -0.644 -0.250 2.917 1.00 0.00 C ATOM 299 CD1 ILE A 23 2.023 0.401 1.110 1.00 0.00 C ATOM 0 H ILE A 23 2.022 -2.978 1.652 1.00 0.00 H new ATOM 0 HA ILE A 23 0.320 -2.473 3.898 1.00 0.00 H new ATOM 0 HB ILE A 23 0.023 -1.248 1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.896 -0.073 3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.473 -1.387 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.621 0.741 2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.651 -0.661 2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.361 -0.175 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.041 0.779 1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.907 -0.103 0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.320 1.232 1.171 1.00 0.00 H new ATOM 311 N LYS A 24 -0.812 -3.987 1.207 1.00 0.00 N ATOM 312 CA LYS A 24 -1.914 -4.758 0.646 1.00 0.00 C ATOM 313 C LYS A 24 -2.322 -5.894 1.585 1.00 0.00 C ATOM 314 O LYS A 24 -3.510 -6.097 1.843 1.00 0.00 O ATOM 315 CB LYS A 24 -1.527 -5.322 -0.727 1.00 0.00 C ATOM 316 CG LYS A 24 -1.187 -4.255 -1.760 1.00 0.00 C ATOM 317 CD LYS A 24 -1.408 -4.755 -3.180 1.00 0.00 C ATOM 318 CE LYS A 24 -0.958 -3.724 -4.206 1.00 0.00 C ATOM 319 NZ LYS A 24 -1.001 -4.254 -5.596 1.00 0.00 N ATOM 0 H LYS A 24 0.041 -4.010 0.648 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.767 -4.090 0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.670 -5.985 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.350 -5.930 -1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.801 -3.371 -1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.148 -3.950 -1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.859 -5.684 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.464 -4.981 -3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.596 -2.843 -4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.057 -3.402 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.686 -3.517 -6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.373 -5.079 -5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.974 -4.537 -5.830 1.00 0.00 H new ATOM 333 N SER A 25 -1.335 -6.629 2.091 1.00 0.00 N ATOM 334 CA SER A 25 -1.593 -7.742 3.001 1.00 0.00 C ATOM 335 C SER A 25 -2.108 -7.244 4.354 1.00 0.00 C ATOM 336 O SER A 25 -2.941 -7.892 4.988 1.00 0.00 O ATOM 337 CB SER A 25 -0.316 -8.567 3.199 1.00 0.00 C ATOM 338 OG SER A 25 0.592 -8.372 2.125 1.00 0.00 O ATOM 0 H SER A 25 -0.348 -6.474 1.886 1.00 0.00 H new ATOM 0 HA SER A 25 -2.364 -8.371 2.555 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.161 -8.285 4.138 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.571 -9.624 3.276 1.00 0.00 H new ATOM 0 HG SER A 25 1.398 -8.908 2.277 1.00 0.00 H new ATOM 344 N ALA A 26 -1.613 -6.084 4.782 1.00 0.00 N ATOM 345 CA ALA A 26 -2.020 -5.486 6.053 1.00 0.00 C ATOM 346 C ALA A 26 -3.513 -5.176 6.069 1.00 0.00 C ATOM 347 O ALA A 26 -4.149 -5.185 7.124 1.00 0.00 O ATOM 348 CB ALA A 26 -1.224 -4.217 6.314 1.00 0.00 C ATOM 0 H ALA A 26 -0.926 -5.537 4.264 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.816 -6.209 6.843 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.536 -3.781 7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.161 -4.456 6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.403 -3.503 5.510 1.00 0.00 H new ATOM 354 N ILE A 27 -4.044 -4.838 4.904 1.00 0.00 N ATOM 355 CA ILE A 27 -5.442 -4.445 4.771 1.00 0.00 C ATOM 356 C ILE A 27 -6.389 -5.622 5.031 1.00 0.00 C ATOM 357 O ILE A 27 -7.494 -5.438 5.547 1.00 0.00 O ATOM 358 CB ILE A 27 -5.706 -3.850 3.366 1.00 0.00 C ATOM 359 CG1 ILE A 27 -4.949 -2.527 3.219 1.00 0.00 C ATOM 360 CG2 ILE A 27 -7.198 -3.654 3.117 1.00 0.00 C ATOM 361 CD1 ILE A 27 -5.400 -1.683 2.043 1.00 0.00 C ATOM 0 H ILE A 27 -3.523 -4.828 4.027 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.641 -3.683 5.525 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.344 -4.553 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.069 -1.948 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.885 -2.739 3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.349 -3.235 2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.708 -4.615 3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.605 -2.972 3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.815 -0.764 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.254 -2.240 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.456 -1.437 2.155 1.00 0.00 H new ATOM 373 N GLU A 28 -5.958 -6.827 4.673 1.00 0.00 N ATOM 374 CA GLU A 28 -6.784 -8.013 4.865 1.00 0.00 C ATOM 375 C GLU A 28 -7.017 -8.288 6.343 1.00 0.00 C ATOM 376 O GLU A 28 -8.119 -8.652 6.746 1.00 0.00 O ATOM 377 CB GLU A 28 -6.147 -9.233 4.207 1.00 0.00 C ATOM 378 CG GLU A 28 -7.104 -9.998 3.311 1.00 0.00 C ATOM 379 CD GLU A 28 -6.662 -9.982 1.868 1.00 0.00 C ATOM 380 OE1 GLU A 28 -5.537 -10.438 1.582 1.00 0.00 O ATOM 381 OE2 GLU A 28 -7.434 -9.501 1.013 1.00 0.00 O ATOM 0 H GLU A 28 -5.047 -7.008 4.251 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.747 -7.819 4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.287 -8.913 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.772 -9.902 4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.178 -11.029 3.656 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.100 -9.563 3.390 1.00 0.00 H new ATOM 388 N SER A 29 -5.985 -8.102 7.151 1.00 0.00 N ATOM 389 CA SER A 29 -6.086 -8.334 8.585 1.00 0.00 C ATOM 390 C SER A 29 -6.870 -7.223 9.287 1.00 0.00 C ATOM 391 O SER A 29 -6.873 -7.137 10.516 1.00 0.00 O ATOM 392 CB SER A 29 -4.692 -8.456 9.192 1.00 0.00 C ATOM 393 OG SER A 29 -3.693 -8.127 8.240 1.00 0.00 O ATOM 0 H SER A 29 -5.066 -7.790 6.838 1.00 0.00 H new ATOM 0 HA SER A 29 -6.631 -9.266 8.733 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.608 -7.796 10.055 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.536 -9.473 9.552 1.00 0.00 H new ATOM 0 HG SER A 29 -2.808 -8.211 8.652 1.00 0.00 H new ATOM 399 N LYS A 30 -7.569 -6.409 8.508 1.00 0.00 N ATOM 400 CA LYS A 30 -8.409 -5.352 9.053 1.00 0.00 C ATOM 401 C LYS A 30 -9.856 -5.579 8.639 1.00 0.00 C ATOM 402 O LYS A 30 -10.772 -4.950 9.165 1.00 0.00 O ATOM 403 CB LYS A 30 -7.923 -3.979 8.582 1.00 0.00 C ATOM 404 CG LYS A 30 -7.061 -3.262 9.607 1.00 0.00 C ATOM 405 CD LYS A 30 -5.594 -3.620 9.452 1.00 0.00 C ATOM 406 CE LYS A 30 -4.985 -4.053 10.775 1.00 0.00 C ATOM 407 NZ LYS A 30 -4.577 -5.482 10.755 1.00 0.00 N ATOM 0 H LYS A 30 -7.570 -6.462 7.489 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.345 -5.377 10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.354 -4.099 7.660 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.786 -3.357 8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.187 -2.185 9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.396 -3.523 10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.489 -4.422 8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.048 -2.761 9.062 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.118 -3.431 10.997 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.706 -3.892 11.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.856 -5.648 11.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.405 -6.082 10.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.183 -5.718 9.822 1.00 0.00 H new ATOM 421 N PHE A 31 -10.058 -6.543 7.750 1.00 0.00 N ATOM 422 CA PHE A 31 -11.395 -6.926 7.327 1.00 0.00 C ATOM 423 C PHE A 31 -11.615 -8.410 7.598 1.00 0.00 C ATOM 424 O PHE A 31 -12.477 -8.791 8.393 1.00 0.00 O ATOM 425 CB PHE A 31 -11.590 -6.627 5.827 1.00 0.00 C ATOM 426 CG PHE A 31 -12.809 -5.800 5.520 1.00 0.00 C ATOM 427 CD1 PHE A 31 -13.398 -5.009 6.495 1.00 0.00 C ATOM 428 CD2 PHE A 31 -13.364 -5.812 4.249 1.00 0.00 C ATOM 429 CE1 PHE A 31 -14.515 -4.247 6.210 1.00 0.00 C ATOM 430 CE2 PHE A 31 -14.480 -5.050 3.958 1.00 0.00 C ATOM 431 CZ PHE A 31 -15.056 -4.268 4.940 1.00 0.00 C ATOM 0 H PHE A 31 -9.308 -7.075 7.307 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.124 -6.346 7.893 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.708 -6.107 5.453 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.658 -7.570 5.285 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -12.978 -4.988 7.490 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -12.919 -6.424 3.478 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -14.964 -3.636 6.979 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -14.901 -5.066 2.964 1.00 0.00 H new ATOM 0 HZ PHE A 31 -15.929 -3.673 4.715 1.00 0.00 H new ATOM 544 N LYS A 40 -12.141 -6.785 -9.239 1.00 0.00 N ATOM 545 CA LYS A 40 -12.313 -5.394 -8.828 1.00 0.00 C ATOM 546 C LYS A 40 -10.981 -4.653 -8.848 1.00 0.00 C ATOM 547 O LYS A 40 -9.916 -5.267 -8.806 1.00 0.00 O ATOM 548 CB LYS A 40 -12.921 -5.303 -7.418 1.00 0.00 C ATOM 549 CG LYS A 40 -13.853 -6.451 -7.052 1.00 0.00 C ATOM 550 CD LYS A 40 -15.289 -6.159 -7.454 1.00 0.00 C ATOM 551 CE LYS A 40 -16.272 -6.612 -6.386 1.00 0.00 C ATOM 552 NZ LYS A 40 -17.397 -5.656 -6.222 1.00 0.00 N ATOM 0 HA LYS A 40 -12.995 -4.928 -9.540 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.111 -5.264 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.471 -4.366 -7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.516 -7.364 -7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.805 -6.630 -5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.408 -5.090 -7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.514 -6.663 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.666 -7.594 -6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.749 -6.723 -5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.834 -5.791 -5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.039 -4.683 -6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.107 -5.825 -6.963 1.00 0.00 H new ATOM 566 N THR A 41 -11.053 -3.332 -8.843 1.00 0.00 N ATOM 567 CA THR A 41 -9.867 -2.495 -8.785 1.00 0.00 C ATOM 568 C THR A 41 -10.129 -1.290 -7.888 1.00 0.00 C ATOM 569 O THR A 41 -11.211 -0.697 -7.935 1.00 0.00 O ATOM 570 CB THR A 41 -9.455 -2.012 -10.189 1.00 0.00 C ATOM 571 OG1 THR A 41 -10.479 -2.337 -11.144 1.00 0.00 O ATOM 572 CG2 THR A 41 -8.137 -2.642 -10.614 1.00 0.00 C ATOM 0 H THR A 41 -11.930 -2.813 -8.879 1.00 0.00 H new ATOM 0 HA THR A 41 -9.052 -3.091 -8.375 1.00 0.00 H new ATOM 0 HB THR A 41 -9.326 -0.930 -10.152 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.209 -2.025 -12.033 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.867 -2.286 -11.608 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.356 -2.366 -9.905 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.242 -3.727 -10.633 1.00 0.00 H new ATOM 580 N CYS A 42 -9.151 -0.916 -7.085 1.00 0.00 N ATOM 581 CA CYS A 42 -9.300 0.226 -6.202 1.00 0.00 C ATOM 582 C CYS A 42 -8.034 1.069 -6.190 1.00 0.00 C ATOM 583 O CYS A 42 -7.243 1.027 -5.248 1.00 0.00 O ATOM 584 CB CYS A 42 -9.652 -0.219 -4.784 1.00 0.00 C ATOM 585 SG CYS A 42 -9.891 1.162 -3.621 1.00 0.00 S ATOM 0 H CYS A 42 -8.247 -1.385 -7.026 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.119 0.835 -6.583 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.563 -0.817 -4.816 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.859 -0.866 -4.408 1.00 0.00 H new ATOM 590 N THR A 43 -7.891 1.880 -7.218 1.00 0.00 N ATOM 591 CA THR A 43 -6.785 2.806 -7.320 1.00 0.00 C ATOM 592 C THR A 43 -6.941 3.923 -6.288 1.00 0.00 C ATOM 593 O THR A 43 -7.955 4.628 -6.269 1.00 0.00 O ATOM 594 CB THR A 43 -6.721 3.397 -8.742 1.00 0.00 C ATOM 595 OG1 THR A 43 -5.991 2.514 -9.603 1.00 0.00 O ATOM 596 CG2 THR A 43 -6.080 4.777 -8.746 1.00 0.00 C ATOM 0 H THR A 43 -8.539 1.915 -8.005 1.00 0.00 H new ATOM 0 HA THR A 43 -5.856 2.273 -7.121 1.00 0.00 H new ATOM 0 HB THR A 43 -7.742 3.503 -9.109 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.955 2.893 -10.506 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.052 5.162 -9.765 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.664 5.451 -8.119 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.064 4.708 -8.356 1.00 0.00 H new ATOM 604 N LEU A 44 -5.962 4.060 -5.410 1.00 0.00 N ATOM 605 CA LEU A 44 -6.021 5.064 -4.367 1.00 0.00 C ATOM 606 C LEU A 44 -4.947 6.118 -4.576 1.00 0.00 C ATOM 607 O LEU A 44 -3.756 5.807 -4.624 1.00 0.00 O ATOM 608 CB LEU A 44 -5.863 4.417 -2.989 1.00 0.00 C ATOM 609 CG LEU A 44 -7.040 3.547 -2.547 1.00 0.00 C ATOM 610 CD1 LEU A 44 -6.788 2.966 -1.164 1.00 0.00 C ATOM 611 CD2 LEU A 44 -8.328 4.351 -2.556 1.00 0.00 C ATOM 0 H LEU A 44 -5.118 3.488 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.997 5.548 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.960 3.807 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.714 5.204 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.140 2.723 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.637 2.350 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.886 2.354 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.660 3.777 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.155 3.716 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.235 5.195 -1.872 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.519 4.720 -3.564 1.00 0.00 H new ATOM 623 N ARG A 45 -5.369 7.370 -4.644 1.00 0.00 N ATOM 624 CA ARG A 45 -4.444 8.486 -4.777 1.00 0.00 C ATOM 625 C ARG A 45 -3.872 8.833 -3.409 1.00 0.00 C ATOM 626 O ARG A 45 -4.474 9.594 -2.650 1.00 0.00 O ATOM 627 CB ARG A 45 -5.159 9.701 -5.374 1.00 0.00 C ATOM 628 CG ARG A 45 -4.564 10.179 -6.690 1.00 0.00 C ATOM 629 CD ARG A 45 -4.812 9.182 -7.810 1.00 0.00 C ATOM 630 NE ARG A 45 -5.569 9.769 -8.918 1.00 0.00 N ATOM 631 CZ ARG A 45 -5.636 9.234 -10.136 1.00 0.00 C ATOM 632 NH1 ARG A 45 -5.006 8.095 -10.403 1.00 0.00 N ATOM 633 NH2 ARG A 45 -6.342 9.830 -11.088 1.00 0.00 N ATOM 0 H ARG A 45 -6.352 7.641 -4.609 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.632 8.202 -5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.209 9.453 -5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.128 10.519 -4.654 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.997 11.143 -6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.492 10.334 -6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.857 8.811 -8.182 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.356 8.324 -7.416 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.074 10.638 -8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.468 7.627 -9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.060 7.689 -11.337 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.835 10.700 -10.888 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.392 9.418 -12.020 1.00 0.00 H new ATOM 647 N ILE A 46 -2.780 8.174 -3.053 1.00 0.00 N ATOM 648 CA ILE A 46 -2.206 8.315 -1.724 1.00 0.00 C ATOM 649 C ILE A 46 -0.839 8.984 -1.776 1.00 0.00 C ATOM 650 O ILE A 46 -0.106 8.857 -2.759 1.00 0.00 O ATOM 651 CB ILE A 46 -2.070 6.951 -1.008 1.00 0.00 C ATOM 652 CG1 ILE A 46 -1.839 5.821 -2.018 1.00 0.00 C ATOM 653 CG2 ILE A 46 -3.308 6.669 -0.172 1.00 0.00 C ATOM 654 CD1 ILE A 46 -1.376 4.526 -1.389 1.00 0.00 C ATOM 0 H ILE A 46 -2.273 7.536 -3.666 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.894 8.944 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.203 6.998 -0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.765 5.639 -2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.098 6.145 -2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.199 5.706 0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.428 7.453 0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.186 6.646 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.234 3.775 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.433 4.691 -0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.127 4.177 -0.680 1.00 0.00 H new ATOM 666 N LYS A 47 -0.487 9.648 -0.687 1.00 0.00 N ATOM 667 CA LYS A 47 0.812 10.291 -0.551 1.00 0.00 C ATOM 668 C LYS A 47 1.328 10.091 0.865 1.00 0.00 C ATOM 669 O LYS A 47 0.730 10.586 1.823 1.00 0.00 O ATOM 670 CB LYS A 47 0.714 11.787 -0.855 1.00 0.00 C ATOM 671 CG LYS A 47 1.021 12.144 -2.298 1.00 0.00 C ATOM 672 CD LYS A 47 1.021 13.649 -2.507 1.00 0.00 C ATOM 673 CE LYS A 47 -0.050 14.074 -3.495 1.00 0.00 C ATOM 674 NZ LYS A 47 -0.722 15.332 -3.077 1.00 0.00 N ATOM 0 H LYS A 47 -1.092 9.757 0.127 1.00 0.00 H new ATOM 0 HA LYS A 47 1.501 9.839 -1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.291 12.132 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.402 12.326 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.993 11.736 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.282 11.684 -2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.857 14.150 -1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.999 13.967 -2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.398 14.211 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.791 13.281 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.170 15.777 -3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.447 15.118 -2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.019 15.983 -2.672 1.00 0.00 H new ATOM 688 N LEU A 48 2.394 9.323 1.004 1.00 0.00 N ATOM 689 CA LEU A 48 2.934 9.015 2.309 1.00 0.00 C ATOM 690 C LEU A 48 4.066 9.963 2.666 1.00 0.00 C ATOM 691 O LEU A 48 5.110 9.972 2.018 1.00 0.00 O ATOM 692 CB LEU A 48 3.426 7.571 2.350 1.00 0.00 C ATOM 693 CG LEU A 48 3.288 6.893 3.707 1.00 0.00 C ATOM 694 CD1 LEU A 48 1.890 6.320 3.874 1.00 0.00 C ATOM 695 CD2 LEU A 48 4.342 5.810 3.875 1.00 0.00 C ATOM 0 H LEU A 48 2.901 8.902 0.225 1.00 0.00 H new ATOM 0 HA LEU A 48 2.139 9.140 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.873 6.991 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.474 7.549 2.053 1.00 0.00 H new ATOM 0 HG LEU A 48 3.446 7.640 4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.808 5.839 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.157 7.123 3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.702 5.586 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.226 5.338 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.222 5.061 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.335 6.254 3.802 1.00 0.00 H new ATOM 707 N ALA A 49 3.876 10.711 3.740 1.00 0.00 N ATOM 708 CA ALA A 49 4.908 11.604 4.239 1.00 0.00 C ATOM 709 C ALA A 49 6.085 10.793 4.775 1.00 0.00 C ATOM 710 O ALA A 49 5.925 9.618 5.111 1.00 0.00 O ATOM 711 CB ALA A 49 4.341 12.505 5.329 1.00 0.00 C ATOM 0 H ALA A 49 3.014 10.717 4.285 1.00 0.00 H new ATOM 0 HA ALA A 49 5.260 12.232 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.123 13.170 5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.522 13.098 4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.971 11.893 6.151 1.00 0.00 H new ATOM 717 N PRO A 50 7.283 11.403 4.877 1.00 0.00 N ATOM 718 CA PRO A 50 8.485 10.723 5.388 1.00 0.00 C ATOM 719 C PRO A 50 8.291 10.155 6.794 1.00 0.00 C ATOM 720 O PRO A 50 9.077 9.323 7.252 1.00 0.00 O ATOM 721 CB PRO A 50 9.546 11.828 5.413 1.00 0.00 C ATOM 722 CG PRO A 50 9.062 12.851 4.447 1.00 0.00 C ATOM 723 CD PRO A 50 7.564 12.803 4.507 1.00 0.00 C ATOM 0 HA PRO A 50 8.749 9.867 4.767 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.653 12.249 6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.523 11.443 5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.431 13.842 4.711 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.419 12.636 3.440 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.169 13.501 5.245 1.00 0.00 H new ATOM 0 HD3 PRO A 50 7.115 13.064 3.549 1.00 0.00 H new ATOM 731 N ASP A 51 7.245 10.616 7.470 1.00 0.00 N ATOM 732 CA ASP A 51 6.937 10.172 8.825 1.00 0.00 C ATOM 733 C ASP A 51 6.082 8.909 8.814 1.00 0.00 C ATOM 734 O ASP A 51 5.752 8.364 9.865 1.00 0.00 O ATOM 735 CB ASP A 51 6.211 11.276 9.593 1.00 0.00 C ATOM 736 CG ASP A 51 6.912 11.639 10.884 1.00 0.00 C ATOM 737 OD1 ASP A 51 6.886 10.829 11.832 1.00 0.00 O ATOM 738 OD2 ASP A 51 7.498 12.738 10.954 1.00 0.00 O ATOM 0 H ASP A 51 6.590 11.304 7.098 1.00 0.00 H new ATOM 0 HA ASP A 51 7.881 9.945 9.321 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.134 12.162 8.963 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.194 10.952 9.814 1.00 0.00 H new ATOM 743 N GLY A 52 5.743 8.433 7.624 1.00 0.00 N ATOM 744 CA GLY A 52 4.953 7.222 7.513 1.00 0.00 C ATOM 745 C GLY A 52 3.482 7.466 7.775 1.00 0.00 C ATOM 746 O GLY A 52 2.867 6.780 8.590 1.00 0.00 O ATOM 0 H GLY A 52 6.000 8.862 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.077 6.801 6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.327 6.481 8.220 1.00 0.00 H new ATOM 750 N MET A 53 2.913 8.428 7.064 1.00 0.00 N ATOM 751 CA MET A 53 1.497 8.747 7.195 1.00 0.00 C ATOM 752 C MET A 53 0.948 9.250 5.869 1.00 0.00 C ATOM 753 O MET A 53 1.632 9.975 5.144 1.00 0.00 O ATOM 754 CB MET A 53 1.265 9.791 8.297 1.00 0.00 C ATOM 755 CG MET A 53 2.019 11.093 8.087 1.00 0.00 C ATOM 756 SD MET A 53 0.955 12.542 8.223 1.00 0.00 S ATOM 757 CE MET A 53 1.910 13.550 9.353 1.00 0.00 C ATOM 0 H MET A 53 3.412 9.005 6.387 1.00 0.00 H new ATOM 0 HA MET A 53 0.968 7.836 7.476 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.198 10.007 8.359 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.560 9.364 9.255 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.821 11.166 8.821 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.488 11.082 7.103 1.00 0.00 H new ATOM 0 HE1 MET A 53 1.384 14.486 9.539 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.043 13.015 10.293 1.00 0.00 H new ATOM 0 HE3 MET A 53 2.885 13.763 8.915 1.00 0.00 H new ATOM 767 N LEU A 54 -0.268 8.842 5.543 1.00 0.00 N ATOM 768 CA LEU A 54 -0.888 9.235 4.286 1.00 0.00 C ATOM 769 C LEU A 54 -1.592 10.575 4.431 1.00 0.00 C ATOM 770 O LEU A 54 -2.664 10.667 5.031 1.00 0.00 O ATOM 771 CB LEU A 54 -1.886 8.180 3.793 1.00 0.00 C ATOM 772 CG LEU A 54 -1.977 6.900 4.627 1.00 0.00 C ATOM 773 CD1 LEU A 54 -3.333 6.804 5.310 1.00 0.00 C ATOM 774 CD2 LEU A 54 -1.740 5.678 3.752 1.00 0.00 C ATOM 0 H LEU A 54 -0.845 8.240 6.130 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.091 9.324 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.876 8.635 3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.620 7.906 2.772 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.204 6.934 5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.380 5.888 5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.472 7.664 5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.120 6.792 4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.808 4.776 4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.493 5.642 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.749 5.739 3.303 1.00 0.00 H new ATOM 786 N LEU A 55 -1.003 11.601 3.837 1.00 0.00 N ATOM 787 CA LEU A 55 -1.594 12.934 3.849 1.00 0.00 C ATOM 788 C LEU A 55 -2.739 13.001 2.853 1.00 0.00 C ATOM 789 O LEU A 55 -3.770 13.626 3.106 1.00 0.00 O ATOM 790 CB LEU A 55 -0.554 14.000 3.495 1.00 0.00 C ATOM 791 CG LEU A 55 0.891 13.666 3.874 1.00 0.00 C ATOM 792 CD1 LEU A 55 1.789 13.711 2.648 1.00 0.00 C ATOM 793 CD2 LEU A 55 1.398 14.623 4.943 1.00 0.00 C ATOM 0 H LEU A 55 -0.115 11.538 3.339 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.966 13.129 4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.596 14.181 2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.833 14.932 3.986 1.00 0.00 H new ATOM 0 HG LEU A 55 0.914 12.655 4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.812 13.471 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.440 12.985 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.760 14.710 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.427 14.370 5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.359 15.645 4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.772 14.541 5.831 1.00 0.00 H new ATOM 805 N ASP A 56 -2.557 12.329 1.729 1.00 0.00 N ATOM 806 CA ASP A 56 -3.576 12.278 0.694 1.00 0.00 C ATOM 807 C ASP A 56 -4.124 10.867 0.578 1.00 0.00 C ATOM 808 O ASP A 56 -3.362 9.900 0.636 1.00 0.00 O ATOM 809 CB ASP A 56 -2.994 12.711 -0.653 1.00 0.00 C ATOM 810 CG ASP A 56 -3.489 14.069 -1.100 1.00 0.00 C ATOM 811 OD1 ASP A 56 -4.718 14.253 -1.229 1.00 0.00 O ATOM 812 OD2 ASP A 56 -2.648 14.960 -1.335 1.00 0.00 O ATOM 0 H ASP A 56 -1.708 11.808 1.509 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.381 12.961 0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.906 12.731 -0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.251 11.969 -1.409 1.00 0.00 H new ATOM 817 N ILE A 57 -5.430 10.756 0.385 1.00 0.00 N ATOM 818 CA ILE A 57 -6.074 9.462 0.214 1.00 0.00 C ATOM 819 C ILE A 57 -7.419 9.633 -0.492 1.00 0.00 C ATOM 820 O ILE A 57 -8.373 10.183 0.067 1.00 0.00 O ATOM 821 CB ILE A 57 -6.255 8.726 1.570 1.00 0.00 C ATOM 822 CG1 ILE A 57 -7.134 7.485 1.401 1.00 0.00 C ATOM 823 CG2 ILE A 57 -6.834 9.653 2.632 1.00 0.00 C ATOM 824 CD1 ILE A 57 -6.500 6.222 1.943 1.00 0.00 C ATOM 0 H ILE A 57 -6.068 11.551 0.343 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.424 8.844 -0.406 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.269 8.407 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.085 7.651 1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.355 7.347 0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.948 9.107 3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.162 10.497 2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.807 10.019 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.177 5.381 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.562 6.033 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.304 6.342 3.009 1.00 0.00 H new ATOM 836 N LYS A 58 -7.462 9.244 -1.759 1.00 0.00 N ATOM 837 CA LYS A 58 -8.652 9.442 -2.574 1.00 0.00 C ATOM 838 C LYS A 58 -8.909 8.239 -3.476 1.00 0.00 C ATOM 839 O LYS A 58 -8.027 7.810 -4.220 1.00 0.00 O ATOM 840 CB LYS A 58 -8.503 10.703 -3.423 1.00 0.00 C ATOM 841 CG LYS A 58 -9.830 11.270 -3.900 1.00 0.00 C ATOM 842 CD LYS A 58 -10.249 12.472 -3.073 1.00 0.00 C ATOM 843 CE LYS A 58 -10.514 13.681 -3.951 1.00 0.00 C ATOM 844 NZ LYS A 58 -11.840 13.601 -4.617 1.00 0.00 N ATOM 0 H LYS A 58 -6.688 8.790 -2.244 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.504 9.555 -1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.979 11.463 -2.843 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.880 10.478 -4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.748 11.558 -4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.599 10.500 -3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.147 12.229 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.468 12.709 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.465 14.587 -3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.732 13.760 -4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.983 14.445 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.878 12.750 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.588 13.552 -3.896 1.00 0.00 H new ATOM 858 N PRO A 59 -10.125 7.683 -3.425 1.00 0.00 N ATOM 859 CA PRO A 59 -10.501 6.530 -4.241 1.00 0.00 C ATOM 860 C PRO A 59 -10.780 6.911 -5.696 1.00 0.00 C ATOM 861 O PRO A 59 -11.765 7.584 -5.996 1.00 0.00 O ATOM 862 CB PRO A 59 -11.774 6.023 -3.563 1.00 0.00 C ATOM 863 CG PRO A 59 -12.375 7.227 -2.921 1.00 0.00 C ATOM 864 CD PRO A 59 -11.230 8.137 -2.559 1.00 0.00 C ATOM 0 HA PRO A 59 -9.705 5.788 -4.294 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.457 5.580 -4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.548 5.253 -2.825 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.066 7.725 -3.601 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.945 6.950 -2.034 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.478 9.182 -2.743 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.971 8.052 -1.504 1.00 0.00 H new ATOM 872 N GLU A 60 -9.908 6.478 -6.595 1.00 0.00 N ATOM 873 CA GLU A 60 -10.055 6.769 -8.014 1.00 0.00 C ATOM 874 C GLU A 60 -10.067 5.477 -8.809 1.00 0.00 C ATOM 875 O GLU A 60 -9.742 5.444 -9.996 1.00 0.00 O ATOM 876 CB GLU A 60 -8.924 7.676 -8.478 1.00 0.00 C ATOM 877 CG GLU A 60 -9.155 9.118 -8.090 1.00 0.00 C ATOM 878 CD GLU A 60 -9.898 9.897 -9.158 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.787 9.540 -10.354 1.00 0.00 O ATOM 880 OE2 GLU A 60 -10.601 10.865 -8.813 1.00 0.00 O ATOM 0 H GLU A 60 -9.086 5.920 -6.365 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.001 7.285 -8.179 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.984 7.331 -8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.824 7.604 -9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.721 9.154 -7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.195 9.597 -7.898 1.00 0.00 H new ATOM 887 N GLY A 61 -10.392 4.409 -8.105 1.00 0.00 N ATOM 888 CA GLY A 61 -10.399 3.081 -8.692 1.00 0.00 C ATOM 889 C GLY A 61 -11.646 2.790 -9.509 1.00 0.00 C ATOM 890 O GLY A 61 -12.234 3.694 -10.106 1.00 0.00 O ATOM 0 H GLY A 61 -10.656 4.435 -7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.522 2.969 -9.329 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.313 2.340 -7.897 1.00 0.00 H new ATOM 894 N GLY A 62 -12.017 1.514 -9.585 1.00 0.00 N ATOM 895 CA GLY A 62 -13.155 1.117 -10.395 1.00 0.00 C ATOM 896 C GLY A 62 -14.295 0.536 -9.580 1.00 0.00 C ATOM 897 O GLY A 62 -15.412 0.401 -10.076 1.00 0.00 O ATOM 0 H GLY A 62 -11.549 0.748 -9.100 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.518 1.983 -10.950 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.830 0.381 -11.130 1.00 0.00 H new ATOM 901 N ASP A 63 -14.030 0.216 -8.320 1.00 0.00 N ATOM 902 CA ASP A 63 -15.067 -0.314 -7.442 1.00 0.00 C ATOM 903 C ASP A 63 -15.302 0.626 -6.268 1.00 0.00 C ATOM 904 O ASP A 63 -14.409 0.842 -5.446 1.00 0.00 O ATOM 905 CB ASP A 63 -14.702 -1.707 -6.927 1.00 0.00 C ATOM 906 CG ASP A 63 -15.887 -2.398 -6.280 1.00 0.00 C ATOM 907 OD1 ASP A 63 -16.235 -2.047 -5.139 1.00 0.00 O ATOM 908 OD2 ASP A 63 -16.480 -3.294 -6.919 1.00 0.00 O ATOM 0 H ASP A 63 -13.113 0.313 -7.885 1.00 0.00 H new ATOM 0 HA ASP A 63 -15.984 -0.395 -8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -14.334 -2.315 -7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.890 -1.626 -6.205 1.00 0.00 H new ATOM 913 N PRO A 64 -16.483 1.258 -6.217 1.00 0.00 N ATOM 914 CA PRO A 64 -16.806 2.250 -5.188 1.00 0.00 C ATOM 915 C PRO A 64 -16.956 1.636 -3.797 1.00 0.00 C ATOM 916 O PRO A 64 -16.719 2.304 -2.792 1.00 0.00 O ATOM 917 CB PRO A 64 -18.139 2.839 -5.659 1.00 0.00 C ATOM 918 CG PRO A 64 -18.728 1.798 -6.547 1.00 0.00 C ATOM 919 CD PRO A 64 -17.564 1.117 -7.207 1.00 0.00 C ATOM 0 HA PRO A 64 -16.011 2.988 -5.082 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.795 3.055 -4.816 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.989 3.776 -6.195 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -19.324 1.087 -5.974 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -19.391 2.245 -7.288 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -17.779 0.070 -7.421 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.306 1.590 -8.155 1.00 0.00 H new ATOM 927 N ALA A 65 -17.338 0.366 -3.743 1.00 0.00 N ATOM 928 CA ALA A 65 -17.509 -0.325 -2.472 1.00 0.00 C ATOM 929 C ALA A 65 -16.162 -0.732 -1.891 1.00 0.00 C ATOM 930 O ALA A 65 -15.849 -0.413 -0.741 1.00 0.00 O ATOM 931 CB ALA A 65 -18.403 -1.543 -2.642 1.00 0.00 C ATOM 0 H ALA A 65 -17.535 -0.206 -4.564 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.988 0.362 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.519 -2.046 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.381 -1.229 -3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.951 -2.229 -3.359 1.00 0.00 H new ATOM 937 N LEU A 66 -15.359 -1.408 -2.709 1.00 0.00 N ATOM 938 CA LEU A 66 -14.024 -1.838 -2.308 1.00 0.00 C ATOM 939 C LEU A 66 -13.192 -0.642 -1.866 1.00 0.00 C ATOM 940 O LEU A 66 -12.478 -0.704 -0.869 1.00 0.00 O ATOM 941 CB LEU A 66 -13.323 -2.556 -3.471 1.00 0.00 C ATOM 942 CG LEU A 66 -12.204 -3.527 -3.071 1.00 0.00 C ATOM 943 CD1 LEU A 66 -12.766 -4.688 -2.262 1.00 0.00 C ATOM 944 CD2 LEU A 66 -11.472 -4.044 -4.307 1.00 0.00 C ATOM 0 H LEU A 66 -15.614 -1.671 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.123 -2.529 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.072 -3.107 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -12.905 -1.804 -4.140 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.490 -2.987 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.957 -5.366 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.241 -4.306 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.502 -5.225 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.683 -4.731 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.176 -4.566 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.034 -3.205 -4.848 1.00 0.00 H new ATOM 956 N CYS A 67 -13.272 0.435 -2.636 1.00 0.00 N ATOM 957 CA CYS A 67 -12.498 1.634 -2.356 1.00 0.00 C ATOM 958 C CYS A 67 -12.990 2.349 -1.103 1.00 0.00 C ATOM 959 O CYS A 67 -12.189 2.861 -0.326 1.00 0.00 O ATOM 960 CB CYS A 67 -12.545 2.580 -3.554 1.00 0.00 C ATOM 961 SG CYS A 67 -11.089 2.451 -4.635 1.00 0.00 S ATOM 0 H CYS A 67 -13.867 0.501 -3.462 1.00 0.00 H new ATOM 0 HA CYS A 67 -11.468 1.327 -2.176 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.441 2.370 -4.138 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -12.631 3.605 -3.194 1.00 0.00 H new ATOM 966 N GLN A 68 -14.304 2.386 -0.909 1.00 0.00 N ATOM 967 CA GLN A 68 -14.884 3.052 0.256 1.00 0.00 C ATOM 968 C GLN A 68 -14.425 2.385 1.548 1.00 0.00 C ATOM 969 O GLN A 68 -14.109 3.058 2.534 1.00 0.00 O ATOM 970 CB GLN A 68 -16.412 3.036 0.177 1.00 0.00 C ATOM 971 CG GLN A 68 -17.040 4.417 0.073 1.00 0.00 C ATOM 972 CD GLN A 68 -16.184 5.405 -0.701 1.00 0.00 C ATOM 973 OE1 GLN A 68 -15.419 6.168 -0.117 1.00 0.00 O ATOM 974 NE2 GLN A 68 -16.315 5.405 -2.019 1.00 0.00 N ATOM 0 H GLN A 68 -14.987 1.965 -1.539 1.00 0.00 H new ATOM 0 HA GLN A 68 -14.540 4.086 0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -16.715 2.444 -0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -16.806 2.534 1.061 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -18.013 4.331 -0.411 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.216 4.806 1.076 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.961 4.756 -2.467 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.770 6.054 -2.586 1.00 0.00 H new ATOM 983 N ALA A 69 -14.377 1.059 1.530 1.00 0.00 N ATOM 984 CA ALA A 69 -13.945 0.293 2.690 1.00 0.00 C ATOM 985 C ALA A 69 -12.426 0.324 2.832 1.00 0.00 C ATOM 986 O ALA A 69 -11.897 0.311 3.947 1.00 0.00 O ATOM 987 CB ALA A 69 -14.440 -1.142 2.590 1.00 0.00 C ATOM 0 H ALA A 69 -14.633 0.491 0.722 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.377 0.752 3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.109 -1.703 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.529 -1.149 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -14.037 -1.604 1.689 1.00 0.00 H new ATOM 993 N ALA A 70 -11.730 0.339 1.698 1.00 0.00 N ATOM 994 CA ALA A 70 -10.271 0.336 1.684 1.00 0.00 C ATOM 995 C ALA A 70 -9.695 1.532 2.433 1.00 0.00 C ATOM 996 O ALA A 70 -8.676 1.408 3.110 1.00 0.00 O ATOM 997 CB ALA A 70 -9.753 0.316 0.254 1.00 0.00 C ATOM 0 H ALA A 70 -12.157 0.353 0.772 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.942 -0.568 2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.663 0.314 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.114 -0.580 -0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.110 1.200 -0.275 1.00 0.00 H new ATOM 1003 N LEU A 71 -10.344 2.686 2.301 1.00 0.00 N ATOM 1004 CA LEU A 71 -9.886 3.910 2.958 1.00 0.00 C ATOM 1005 C LEU A 71 -9.741 3.707 4.464 1.00 0.00 C ATOM 1006 O LEU A 71 -8.768 4.156 5.069 1.00 0.00 O ATOM 1007 CB LEU A 71 -10.856 5.066 2.694 1.00 0.00 C ATOM 1008 CG LEU A 71 -11.297 5.245 1.239 1.00 0.00 C ATOM 1009 CD1 LEU A 71 -12.389 6.300 1.142 1.00 0.00 C ATOM 1010 CD2 LEU A 71 -10.112 5.623 0.365 1.00 0.00 C ATOM 0 H LEU A 71 -11.191 2.801 1.744 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.910 4.157 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.744 4.918 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.388 5.992 3.029 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.699 4.297 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.692 6.416 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.248 5.991 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.011 7.251 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.445 5.746 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.681 6.559 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.360 4.836 0.412 1.00 0.00 H new ATOM 1022 N ALA A 72 -10.727 3.053 5.065 1.00 0.00 N ATOM 1023 CA ALA A 72 -10.728 2.823 6.503 1.00 0.00 C ATOM 1024 C ALA A 72 -9.751 1.716 6.887 1.00 0.00 C ATOM 1025 O ALA A 72 -9.042 1.821 7.891 1.00 0.00 O ATOM 1026 CB ALA A 72 -12.131 2.478 6.982 1.00 0.00 C ATOM 0 H ALA A 72 -11.538 2.672 4.577 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.403 3.742 6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.117 2.309 8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.807 3.302 6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.476 1.576 6.477 1.00 0.00 H new ATOM 1032 N ALA A 73 -9.755 0.638 6.112 1.00 0.00 N ATOM 1033 CA ALA A 73 -8.912 -0.517 6.400 1.00 0.00 C ATOM 1034 C ALA A 73 -7.429 -0.178 6.261 1.00 0.00 C ATOM 1035 O ALA A 73 -6.607 -0.628 7.060 1.00 0.00 O ATOM 1036 CB ALA A 73 -9.281 -1.680 5.493 1.00 0.00 C ATOM 0 H ALA A 73 -10.334 0.539 5.278 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.088 -0.808 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.643 -2.535 5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.324 -1.952 5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.141 -1.388 4.452 1.00 0.00 H new ATOM 1042 N ALA A 74 -7.094 0.611 5.246 1.00 0.00 N ATOM 1043 CA ALA A 74 -5.709 1.002 5.000 1.00 0.00 C ATOM 1044 C ALA A 74 -5.185 1.904 6.112 1.00 0.00 C ATOM 1045 O ALA A 74 -4.018 1.823 6.491 1.00 0.00 O ATOM 1046 CB ALA A 74 -5.581 1.698 3.654 1.00 0.00 C ATOM 0 H ALA A 74 -7.764 0.994 4.578 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.105 0.095 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.542 1.982 3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.903 1.021 2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.207 2.590 3.645 1.00 0.00 H new ATOM 1052 N LYS A 75 -6.055 2.750 6.647 1.00 0.00 N ATOM 1053 CA LYS A 75 -5.676 3.650 7.729 1.00 0.00 C ATOM 1054 C LYS A 75 -5.462 2.881 9.029 1.00 0.00 C ATOM 1055 O LYS A 75 -4.737 3.329 9.920 1.00 0.00 O ATOM 1056 CB LYS A 75 -6.744 4.726 7.926 1.00 0.00 C ATOM 1057 CG LYS A 75 -6.680 5.833 6.889 1.00 0.00 C ATOM 1058 CD LYS A 75 -6.941 7.194 7.509 1.00 0.00 C ATOM 1059 CE LYS A 75 -7.390 8.199 6.461 1.00 0.00 C ATOM 1060 NZ LYS A 75 -7.657 9.535 7.053 1.00 0.00 N ATOM 0 H LYS A 75 -7.027 2.832 6.350 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.736 4.130 7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.729 4.261 7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.633 5.161 8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.699 5.831 6.414 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.414 5.642 6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.705 7.104 8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.035 7.554 7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.622 8.289 5.692 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.292 7.833 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.961 10.191 6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.407 9.454 7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.790 9.896 7.500 1.00 0.00 H new ATOM 1074 N LEU A 76 -6.081 1.713 9.122 1.00 0.00 N ATOM 1075 CA LEU A 76 -5.951 0.864 10.297 1.00 0.00 C ATOM 1076 C LEU A 76 -4.809 -0.134 10.118 1.00 0.00 C ATOM 1077 O LEU A 76 -4.502 -0.911 11.023 1.00 0.00 O ATOM 1078 CB LEU A 76 -7.263 0.121 10.551 1.00 0.00 C ATOM 1079 CG LEU A 76 -8.309 0.904 11.346 1.00 0.00 C ATOM 1080 CD1 LEU A 76 -9.710 0.458 10.964 1.00 0.00 C ATOM 1081 CD2 LEU A 76 -8.083 0.735 12.839 1.00 0.00 C ATOM 0 H LEU A 76 -6.682 1.330 8.392 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.725 1.495 11.157 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.695 -0.160 9.591 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.042 -0.804 11.084 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.206 1.961 11.102 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.442 1.025 11.539 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.870 0.633 9.900 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.825 -0.605 11.178 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.837 1.300 13.387 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.158 -0.320 13.101 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.092 1.104 13.101 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.196 -0.118 8.940 1.00 0.00 N ATOM 1094 CA ALA A 77 -3.104 -1.028 8.627 1.00 0.00 C ATOM 1095 C ALA A 77 -1.795 -0.530 9.226 1.00 0.00 C ATOM 1096 O ALA A 77 -1.714 0.602 9.697 1.00 0.00 O ATOM 1097 CB ALA A 77 -2.973 -1.197 7.121 1.00 0.00 C ATOM 0 H ALA A 77 -4.440 0.520 8.182 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.329 -1.999 9.068 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.152 -1.880 6.902 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.901 -1.603 6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.772 -0.229 6.662 1.00 0.00 H new ATOM 1103 N LYS A 78 -0.779 -1.379 9.220 1.00 0.00 N ATOM 1104 CA LYS A 78 0.514 -1.016 9.778 1.00 0.00 C ATOM 1105 C LYS A 78 1.491 -0.627 8.677 1.00 0.00 C ATOM 1106 O LYS A 78 1.995 -1.482 7.948 1.00 0.00 O ATOM 1107 CB LYS A 78 1.083 -2.173 10.599 1.00 0.00 C ATOM 1108 CG LYS A 78 1.539 -1.759 11.987 1.00 0.00 C ATOM 1109 CD LYS A 78 0.441 -1.958 13.020 1.00 0.00 C ATOM 1110 CE LYS A 78 0.693 -1.124 14.267 1.00 0.00 C ATOM 1111 NZ LYS A 78 -0.553 -0.879 15.040 1.00 0.00 N ATOM 0 H LYS A 78 -0.825 -2.323 8.836 1.00 0.00 H new ATOM 0 HA LYS A 78 0.371 -0.155 10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.325 -2.951 10.690 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.926 -2.610 10.063 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.416 -2.341 12.271 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.841 -0.712 11.974 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.521 -1.686 12.587 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.382 -3.012 13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.418 -1.633 14.902 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.134 -0.169 13.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.333 -0.307 15.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.237 -0.370 14.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.962 -1.788 15.337 1.00 0.00 H new ATOM 1125 N ILE A 79 1.764 0.664 8.573 1.00 0.00 N ATOM 1126 CA ILE A 79 2.698 1.175 7.579 1.00 0.00 C ATOM 1127 C ILE A 79 3.864 1.880 8.268 1.00 0.00 C ATOM 1128 O ILE A 79 3.664 2.834 9.023 1.00 0.00 O ATOM 1129 CB ILE A 79 2.013 2.151 6.595 1.00 0.00 C ATOM 1130 CG1 ILE A 79 0.615 1.650 6.224 1.00 0.00 C ATOM 1131 CG2 ILE A 79 2.862 2.322 5.343 1.00 0.00 C ATOM 1132 CD1 ILE A 79 -0.507 2.513 6.760 1.00 0.00 C ATOM 0 H ILE A 79 1.350 1.382 9.168 1.00 0.00 H new ATOM 0 HA ILE A 79 3.066 0.323 7.008 1.00 0.00 H new ATOM 0 HB ILE A 79 1.913 3.119 7.085 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.534 1.599 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.491 0.635 6.601 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.367 3.012 4.659 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.839 2.721 5.617 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.989 1.356 4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.466 2.094 6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.454 2.544 7.848 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.410 3.523 6.363 1.00 0.00 H new ATOM 1144 N PRO A 80 5.086 1.359 8.098 1.00 0.00 N ATOM 1145 CA PRO A 80 6.270 1.878 8.784 1.00 0.00 C ATOM 1146 C PRO A 80 6.827 3.145 8.140 1.00 0.00 C ATOM 1147 O PRO A 80 6.406 3.544 7.053 1.00 0.00 O ATOM 1148 CB PRO A 80 7.274 0.732 8.658 1.00 0.00 C ATOM 1149 CG PRO A 80 6.886 0.026 7.406 1.00 0.00 C ATOM 1150 CD PRO A 80 5.392 0.160 7.295 1.00 0.00 C ATOM 0 HA PRO A 80 6.046 2.167 9.811 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.296 1.106 8.601 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.225 0.066 9.520 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.382 0.467 6.541 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.181 -1.023 7.443 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.077 0.282 6.259 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.881 -0.722 7.682 1.00 0.00 H new ATOM 1158 N LYS A 81 7.802 3.744 8.810 1.00 0.00 N ATOM 1159 CA LYS A 81 8.467 4.938 8.311 1.00 0.00 C ATOM 1160 C LYS A 81 9.413 4.576 7.169 1.00 0.00 C ATOM 1161 O LYS A 81 10.271 3.706 7.325 1.00 0.00 O ATOM 1162 CB LYS A 81 9.245 5.608 9.445 1.00 0.00 C ATOM 1163 CG LYS A 81 8.893 7.072 9.657 1.00 0.00 C ATOM 1164 CD LYS A 81 9.337 7.564 11.027 1.00 0.00 C ATOM 1165 CE LYS A 81 8.161 7.696 11.983 1.00 0.00 C ATOM 1166 NZ LYS A 81 8.326 8.839 12.918 1.00 0.00 N ATOM 0 H LYS A 81 8.152 3.417 9.710 1.00 0.00 H new ATOM 0 HA LYS A 81 7.715 5.632 7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.059 5.063 10.370 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.312 5.528 9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.366 7.676 8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.816 7.206 9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.069 6.872 11.443 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.833 8.529 10.924 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.242 7.826 11.411 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.053 6.774 12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.735 8.687 13.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.323 8.913 13.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.035 9.719 12.446 1.00 0.00 H new ATOM 1180 N PRO A 82 9.241 5.213 5.995 1.00 0.00 N ATOM 1181 CA PRO A 82 10.053 4.934 4.799 1.00 0.00 C ATOM 1182 C PRO A 82 11.554 5.039 5.069 1.00 0.00 C ATOM 1183 O PRO A 82 12.051 6.094 5.466 1.00 0.00 O ATOM 1184 CB PRO A 82 9.608 6.016 3.810 1.00 0.00 C ATOM 1185 CG PRO A 82 8.224 6.363 4.233 1.00 0.00 C ATOM 1186 CD PRO A 82 8.208 6.230 5.730 1.00 0.00 C ATOM 0 HA PRO A 82 9.905 3.917 4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.265 6.885 3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.629 5.648 2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.964 7.377 3.928 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.496 5.695 3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.441 7.176 6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.231 5.914 6.095 1.00 0.00 H new ATOM 1194 N PRO A 83 12.273 3.913 4.958 1.00 0.00 N ATOM 1195 CA PRO A 83 13.690 3.832 5.286 1.00 0.00 C ATOM 1196 C PRO A 83 14.595 4.087 4.081 1.00 0.00 C ATOM 1197 O PRO A 83 15.206 5.152 3.965 1.00 0.00 O ATOM 1198 CB PRO A 83 13.852 2.387 5.785 1.00 0.00 C ATOM 1199 CG PRO A 83 12.560 1.679 5.478 1.00 0.00 C ATOM 1200 CD PRO A 83 11.743 2.598 4.610 1.00 0.00 C ATOM 0 HA PRO A 83 13.981 4.590 6.014 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.690 1.897 5.289 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.060 2.367 6.855 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.751 0.736 4.966 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.024 1.441 6.397 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.871 2.376 3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.677 2.520 4.826 1.00 0.00 H new ATOM 1208 N SER A 84 14.695 3.095 3.202 1.00 0.00 N ATOM 1209 CA SER A 84 15.538 3.184 2.022 1.00 0.00 C ATOM 1210 C SER A 84 15.131 4.372 1.153 1.00 0.00 C ATOM 1211 O SER A 84 13.939 4.628 0.960 1.00 0.00 O ATOM 1212 CB SER A 84 15.423 1.881 1.239 1.00 0.00 C ATOM 1213 OG SER A 84 14.635 0.941 1.958 1.00 0.00 O ATOM 0 H SER A 84 14.194 2.211 3.290 1.00 0.00 H new ATOM 0 HA SER A 84 16.573 3.339 2.326 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.974 2.073 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.416 1.470 1.057 1.00 0.00 H new ATOM 0 HG SER A 84 13.685 1.126 1.806 1.00 0.00 H new ATOM 1219 N GLN A 85 16.122 5.132 0.697 1.00 0.00 N ATOM 1220 CA GLN A 85 15.871 6.345 -0.078 1.00 0.00 C ATOM 1221 C GLN A 85 15.076 6.044 -1.346 1.00 0.00 C ATOM 1222 O GLN A 85 14.219 6.829 -1.739 1.00 0.00 O ATOM 1223 CB GLN A 85 17.186 7.053 -0.429 1.00 0.00 C ATOM 1224 CG GLN A 85 18.250 6.137 -1.013 1.00 0.00 C ATOM 1225 CD GLN A 85 18.679 6.555 -2.407 1.00 0.00 C ATOM 1226 OE1 GLN A 85 17.849 6.818 -3.276 1.00 0.00 O ATOM 1227 NE2 GLN A 85 19.982 6.620 -2.629 1.00 0.00 N ATOM 0 H GLN A 85 17.110 4.929 0.851 1.00 0.00 H new ATOM 0 HA GLN A 85 15.273 7.011 0.544 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.977 7.850 -1.142 1.00 0.00 H new ATOM 0 HB3 GLN A 85 17.583 7.525 0.470 1.00 0.00 H new ATOM 0 HG2 GLN A 85 19.120 6.131 -0.356 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.868 5.117 -1.045 1.00 0.00 H new ATOM 0 HE21 GLN A 85 20.639 6.394 -1.882 1.00 0.00 H new ATOM 0 HE22 GLN A 85 20.330 6.896 -3.547 1.00 0.00 H new ATOM 1236 N ALA A 86 15.344 4.900 -1.968 1.00 0.00 N ATOM 1237 CA ALA A 86 14.629 4.506 -3.176 1.00 0.00 C ATOM 1238 C ALA A 86 13.144 4.315 -2.889 1.00 0.00 C ATOM 1239 O ALA A 86 12.290 4.834 -3.605 1.00 0.00 O ATOM 1240 CB ALA A 86 15.223 3.234 -3.757 1.00 0.00 C ATOM 0 H ALA A 86 16.049 4.232 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 86 14.736 5.306 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.676 2.956 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.271 3.402 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.149 2.430 -3.025 1.00 0.00 H new ATOM 1246 N VAL A 87 12.847 3.593 -1.816 1.00 0.00 N ATOM 1247 CA VAL A 87 11.468 3.360 -1.412 1.00 0.00 C ATOM 1248 C VAL A 87 10.815 4.667 -0.964 1.00 0.00 C ATOM 1249 O VAL A 87 9.681 4.965 -1.333 1.00 0.00 O ATOM 1250 CB VAL A 87 11.384 2.322 -0.269 1.00 0.00 C ATOM 1251 CG1 VAL A 87 9.942 2.103 0.163 1.00 0.00 C ATOM 1252 CG2 VAL A 87 12.019 1.004 -0.693 1.00 0.00 C ATOM 0 H VAL A 87 13.543 3.159 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 87 10.934 2.966 -2.277 1.00 0.00 H new ATOM 0 HB VAL A 87 11.938 2.715 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.911 1.369 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.520 3.045 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.360 1.739 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.950 0.287 0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 87 11.495 0.612 -1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 87 13.067 1.169 -0.943 1.00 0.00 H new ATOM 1262 N TYR A 88 11.552 5.446 -0.184 1.00 0.00 N ATOM 1263 CA TYR A 88 11.070 6.729 0.314 1.00 0.00 C ATOM 1264 C TYR A 88 10.753 7.685 -0.840 1.00 0.00 C ATOM 1265 O TYR A 88 9.748 8.398 -0.806 1.00 0.00 O ATOM 1266 CB TYR A 88 12.118 7.335 1.261 1.00 0.00 C ATOM 1267 CG TYR A 88 12.082 8.846 1.361 1.00 0.00 C ATOM 1268 CD1 TYR A 88 11.088 9.491 2.085 1.00 0.00 C ATOM 1269 CD2 TYR A 88 13.049 9.623 0.737 1.00 0.00 C ATOM 1270 CE1 TYR A 88 11.058 10.867 2.183 1.00 0.00 C ATOM 1271 CE2 TYR A 88 13.024 10.999 0.831 1.00 0.00 C ATOM 1272 CZ TYR A 88 12.030 11.616 1.554 1.00 0.00 C ATOM 1273 OH TYR A 88 12.009 12.987 1.648 1.00 0.00 O ATOM 0 H TYR A 88 12.496 5.209 0.121 1.00 0.00 H new ATOM 0 HA TYR A 88 10.143 6.570 0.865 1.00 0.00 H new ATOM 0 HB2 TYR A 88 11.974 6.915 2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.110 7.030 0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.326 8.906 2.579 1.00 0.00 H new ATOM 0 HD2 TYR A 88 13.832 9.143 0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.278 11.354 2.749 1.00 0.00 H new ATOM 0 HE2 TYR A 88 13.782 11.590 0.339 1.00 0.00 H new ATOM 0 HH TYR A 88 12.765 13.361 1.148 1.00 0.00 H new ATOM 1283 N GLU A 89 11.617 7.700 -1.851 1.00 0.00 N ATOM 1284 CA GLU A 89 11.444 8.575 -3.006 1.00 0.00 C ATOM 1285 C GLU A 89 10.166 8.238 -3.768 1.00 0.00 C ATOM 1286 O GLU A 89 9.591 9.089 -4.448 1.00 0.00 O ATOM 1287 CB GLU A 89 12.647 8.463 -3.945 1.00 0.00 C ATOM 1288 CG GLU A 89 13.782 9.418 -3.607 1.00 0.00 C ATOM 1289 CD GLU A 89 13.443 10.868 -3.896 1.00 0.00 C ATOM 1290 OE1 GLU A 89 12.337 11.142 -4.403 1.00 0.00 O ATOM 1291 OE2 GLU A 89 14.280 11.747 -3.614 1.00 0.00 O ATOM 0 H GLU A 89 12.449 7.112 -1.893 1.00 0.00 H new ATOM 0 HA GLU A 89 11.367 9.598 -2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.024 7.441 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 89 12.317 8.653 -4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 89 14.035 9.313 -2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.668 9.137 -4.177 1.00 0.00 H new ATOM 1298 N VAL A 90 9.716 7.002 -3.636 1.00 0.00 N ATOM 1299 CA VAL A 90 8.497 6.564 -4.290 1.00 0.00 C ATOM 1300 C VAL A 90 7.296 6.744 -3.365 1.00 0.00 C ATOM 1301 O VAL A 90 6.228 7.165 -3.799 1.00 0.00 O ATOM 1302 CB VAL A 90 8.594 5.086 -4.733 1.00 0.00 C ATOM 1303 CG1 VAL A 90 7.300 4.624 -5.390 1.00 0.00 C ATOM 1304 CG2 VAL A 90 9.769 4.888 -5.680 1.00 0.00 C ATOM 0 H VAL A 90 10.179 6.283 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 90 8.363 7.182 -5.178 1.00 0.00 H new ATOM 0 HB VAL A 90 8.757 4.479 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.397 3.581 -5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.477 4.722 -4.682 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.098 5.238 -6.268 1.00 0.00 H new ATOM 0 HG21 VAL A 90 9.821 3.842 -5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.634 5.513 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.694 5.167 -5.175 1.00 0.00 H new ATOM 1314 N PHE A 91 7.461 6.344 -2.110 1.00 0.00 N ATOM 1315 CA PHE A 91 6.387 6.353 -1.133 1.00 0.00 C ATOM 1316 C PHE A 91 5.813 7.745 -0.901 1.00 0.00 C ATOM 1317 O PHE A 91 4.631 7.890 -0.586 1.00 0.00 O ATOM 1318 CB PHE A 91 6.912 5.776 0.178 1.00 0.00 C ATOM 1319 CG PHE A 91 6.362 4.419 0.518 1.00 0.00 C ATOM 1320 CD1 PHE A 91 5.570 3.727 -0.385 1.00 0.00 C ATOM 1321 CD2 PHE A 91 6.644 3.833 1.743 1.00 0.00 C ATOM 1322 CE1 PHE A 91 5.070 2.477 -0.072 1.00 0.00 C ATOM 1323 CE2 PHE A 91 6.146 2.584 2.061 1.00 0.00 C ATOM 1324 CZ PHE A 91 5.358 1.906 1.153 1.00 0.00 C ATOM 0 H PHE A 91 8.349 6.003 -1.743 1.00 0.00 H new ATOM 0 HA PHE A 91 5.572 5.743 -1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.999 5.712 0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.673 6.466 0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.341 4.169 -1.343 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.260 4.359 2.457 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.455 1.947 -0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.373 2.139 3.019 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.967 0.930 1.400 1.00 0.00 H new ATOM 1334 N LYS A 92 6.648 8.763 -1.052 1.00 0.00 N ATOM 1335 CA LYS A 92 6.217 10.143 -0.845 1.00 0.00 C ATOM 1336 C LYS A 92 5.192 10.577 -1.896 1.00 0.00 C ATOM 1337 O LYS A 92 4.555 11.623 -1.760 1.00 0.00 O ATOM 1338 CB LYS A 92 7.419 11.091 -0.851 1.00 0.00 C ATOM 1339 CG LYS A 92 8.281 10.990 -2.096 1.00 0.00 C ATOM 1340 CD LYS A 92 9.037 12.282 -2.352 1.00 0.00 C ATOM 1341 CE LYS A 92 10.456 12.223 -1.809 1.00 0.00 C ATOM 1342 NZ LYS A 92 11.392 13.050 -2.617 1.00 0.00 N ATOM 0 H LYS A 92 7.628 8.662 -1.317 1.00 0.00 H new ATOM 0 HA LYS A 92 5.735 10.192 0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.061 12.116 -0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.036 10.884 0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.989 10.168 -1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.654 10.757 -2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.066 12.480 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.505 13.113 -1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.464 12.570 -0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.799 11.189 -1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.240 13.264 -2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.667 12.527 -3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.924 13.938 -2.889 1.00 0.00 H new ATOM 1356 N ASN A 93 4.984 9.734 -2.902 1.00 0.00 N ATOM 1357 CA ASN A 93 3.980 9.993 -3.924 1.00 0.00 C ATOM 1358 C ASN A 93 3.691 8.721 -4.708 1.00 0.00 C ATOM 1359 O ASN A 93 3.908 8.661 -5.921 1.00 0.00 O ATOM 1360 CB ASN A 93 4.437 11.104 -4.876 1.00 0.00 C ATOM 1361 CG ASN A 93 3.264 11.845 -5.493 1.00 0.00 C ATOM 1362 OD1 ASN A 93 2.982 12.990 -5.139 1.00 0.00 O ATOM 1363 ND2 ASN A 93 2.571 11.201 -6.420 1.00 0.00 N ATOM 0 H ASN A 93 5.500 8.863 -3.030 1.00 0.00 H new ATOM 0 HA ASN A 93 3.068 10.323 -3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 93 5.066 11.810 -4.334 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.050 10.673 -5.668 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.773 11.653 -6.867 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.835 10.253 -6.687 1.00 0.00 H new ATOM 1370 N ALA A 94 3.233 7.696 -4.006 1.00 0.00 N ATOM 1371 CA ALA A 94 2.948 6.416 -4.630 1.00 0.00 C ATOM 1372 C ALA A 94 1.467 6.084 -4.550 1.00 0.00 C ATOM 1373 O ALA A 94 1.033 5.377 -3.642 1.00 0.00 O ATOM 1374 CB ALA A 94 3.767 5.309 -3.981 1.00 0.00 C ATOM 0 H ALA A 94 3.051 7.727 -3.003 1.00 0.00 H new ATOM 0 HA ALA A 94 3.226 6.490 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.539 4.358 -4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.829 5.528 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.520 5.247 -2.921 1.00 0.00 H new ATOM 1380 N PRO A 95 0.682 6.509 -5.548 1.00 0.00 N ATOM 1381 CA PRO A 95 -0.725 6.160 -5.624 1.00 0.00 C ATOM 1382 C PRO A 95 -0.890 4.724 -6.094 1.00 0.00 C ATOM 1383 O PRO A 95 -0.648 4.407 -7.262 1.00 0.00 O ATOM 1384 CB PRO A 95 -1.300 7.135 -6.661 1.00 0.00 C ATOM 1385 CG PRO A 95 -0.153 7.979 -7.133 1.00 0.00 C ATOM 1386 CD PRO A 95 1.109 7.270 -6.724 1.00 0.00 C ATOM 0 HA PRO A 95 -1.228 6.232 -4.660 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.752 6.595 -7.493 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.082 7.754 -6.220 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.189 8.110 -8.215 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.198 8.974 -6.690 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.482 6.619 -7.514 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.908 7.971 -6.485 1.00 0.00 H new ATOM 1394 N LEU A 96 -1.190 3.842 -5.160 1.00 0.00 N ATOM 1395 CA LEU A 96 -1.257 2.427 -5.454 1.00 0.00 C ATOM 1396 C LEU A 96 -2.695 1.966 -5.576 1.00 0.00 C ATOM 1397 O LEU A 96 -3.589 2.502 -4.922 1.00 0.00 O ATOM 1398 CB LEU A 96 -0.544 1.622 -4.366 1.00 0.00 C ATOM 1399 CG LEU A 96 0.885 2.072 -4.054 1.00 0.00 C ATOM 1400 CD1 LEU A 96 1.276 1.658 -2.643 1.00 0.00 C ATOM 1401 CD2 LEU A 96 1.856 1.495 -5.073 1.00 0.00 C ATOM 0 H LEU A 96 -1.391 4.083 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.757 2.258 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.133 1.677 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.521 0.575 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 96 0.929 3.159 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.295 1.986 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.595 2.118 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.218 0.573 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.868 1.824 -4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.812 0.406 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.585 1.841 -6.070 1.00 0.00 H new ATOM 1413 N ASP A 97 -2.892 0.912 -6.345 1.00 0.00 N ATOM 1414 CA ASP A 97 -4.197 0.300 -6.470 1.00 0.00 C ATOM 1415 C ASP A 97 -4.304 -0.846 -5.477 1.00 0.00 C ATOM 1416 O ASP A 97 -3.406 -1.692 -5.397 1.00 0.00 O ATOM 1417 CB ASP A 97 -4.420 -0.217 -7.897 1.00 0.00 C ATOM 1418 CG ASP A 97 -5.478 -1.307 -7.970 1.00 0.00 C ATOM 1419 OD1 ASP A 97 -6.666 -0.971 -8.149 1.00 0.00 O ATOM 1420 OD2 ASP A 97 -5.120 -2.498 -7.849 1.00 0.00 O ATOM 0 H ASP A 97 -2.160 0.462 -6.894 1.00 0.00 H new ATOM 0 HA ASP A 97 -4.963 1.046 -6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.716 0.614 -8.537 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -3.479 -0.603 -8.290 1.00 0.00 H new ATOM 1425 N PHE A 98 -5.397 -0.897 -4.740 1.00 0.00 N ATOM 1426 CA PHE A 98 -5.603 -1.975 -3.796 1.00 0.00 C ATOM 1427 C PHE A 98 -6.779 -2.831 -4.231 1.00 0.00 C ATOM 1428 O PHE A 98 -7.936 -2.519 -3.957 1.00 0.00 O ATOM 1429 CB PHE A 98 -5.830 -1.418 -2.390 1.00 0.00 C ATOM 1430 CG PHE A 98 -4.589 -0.829 -1.781 1.00 0.00 C ATOM 1431 CD1 PHE A 98 -3.657 -1.641 -1.157 1.00 0.00 C ATOM 1432 CD2 PHE A 98 -4.355 0.533 -1.838 1.00 0.00 C ATOM 1433 CE1 PHE A 98 -2.512 -1.103 -0.601 1.00 0.00 C ATOM 1434 CE2 PHE A 98 -3.213 1.078 -1.283 1.00 0.00 C ATOM 1435 CZ PHE A 98 -2.290 0.260 -0.663 1.00 0.00 C ATOM 0 H PHE A 98 -6.150 -0.210 -4.777 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.709 -2.599 -3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -6.606 -0.653 -2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -6.201 -2.215 -1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.827 -2.706 -1.104 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -5.073 1.178 -2.322 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.791 -1.747 -0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.043 2.143 -1.334 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.397 0.684 -0.228 1.00 0.00 H new ATOM 1445 N LYS A 99 -6.460 -3.939 -4.866 1.00 0.00 N ATOM 1446 CA LYS A 99 -7.458 -4.892 -5.309 1.00 0.00 C ATOM 1447 C LYS A 99 -7.304 -6.170 -4.496 1.00 0.00 C ATOM 1448 O LYS A 99 -6.355 -6.267 -3.717 1.00 0.00 O ATOM 1449 CB LYS A 99 -7.280 -5.159 -6.811 1.00 0.00 C ATOM 1450 CG LYS A 99 -5.998 -5.899 -7.163 1.00 0.00 C ATOM 1451 CD LYS A 99 -6.286 -7.313 -7.644 1.00 0.00 C ATOM 1452 CE LYS A 99 -5.078 -7.930 -8.326 1.00 0.00 C ATOM 1453 NZ LYS A 99 -5.332 -9.337 -8.732 1.00 0.00 N ATOM 0 H LYS A 99 -5.501 -4.205 -5.090 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.462 -4.497 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.131 -5.738 -7.169 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -7.295 -4.207 -7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.462 -5.352 -7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.346 -5.936 -6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.582 -7.932 -6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.127 -7.298 -8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.816 -7.340 -9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.223 -7.895 -7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -4.484 -9.723 -9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.558 -9.906 -7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.132 -9.368 -9.396 1.00 0.00 H new ATOM 1467 N PRO A 100 -8.215 -7.162 -4.654 1.00 0.00 N ATOM 1468 CA PRO A 100 -8.145 -8.439 -3.929 1.00 0.00 C ATOM 1469 C PRO A 100 -6.716 -8.941 -3.750 1.00 0.00 C ATOM 1470 O PRO A 100 -5.956 -9.055 -4.715 1.00 0.00 O ATOM 1471 CB PRO A 100 -8.925 -9.368 -4.840 1.00 0.00 C ATOM 1472 CG PRO A 100 -9.988 -8.501 -5.415 1.00 0.00 C ATOM 1473 CD PRO A 100 -9.391 -7.131 -5.555 1.00 0.00 C ATOM 0 HA PRO A 100 -8.535 -8.363 -2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -8.289 -9.790 -5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.349 -10.206 -4.287 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.318 -8.881 -6.382 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -10.863 -8.478 -4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.100 -6.925 -6.585 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -10.098 -6.355 -5.262 1.00 0.00 H new