USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 605 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 ASN : amide:sc= 0.536 X(o=1,f=1.1) USER MOD Set 1.2: A 44 TYR OH : rot 180:sc= 0.492 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0.357 (180deg=0.337) USER MOD Single : A 22 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.72) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -0.516 K(o=-0.52,f=-1.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -116:sc= -0.887! USER MOD Single : A 36 SER OG : rot 180:sc= -2.29! USER MOD Single : A 37 MET CE :methyl -159:sc= 0 (180deg=-0.427) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 136:sc= 0.359 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.16 USER MOD Single : A 48 THR OG1 : rot -29:sc= 0.606 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0.081) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00395) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 155:sc= -0.259 (180deg=-0.969) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0459 K(o=-0.046,f=-3.8!) USER MOD Single : A 87 GLN : amide:sc= -0.0249 X(o=-0.025,f=0.003) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 -2.121 0.242 -3.897 1.00 0.00 N ATOM 158 CA TYR A 14 -2.769 -0.298 -2.740 1.00 0.00 C ATOM 159 C TYR A 14 -3.462 -1.589 -3.079 1.00 0.00 C ATOM 160 O TYR A 14 -3.902 -1.805 -4.218 1.00 0.00 O ATOM 161 CB TYR A 14 -3.721 0.715 -2.118 1.00 0.00 C ATOM 162 CG TYR A 14 -2.995 1.945 -1.633 1.00 0.00 C ATOM 163 CD1 TYR A 14 -2.991 3.114 -2.376 1.00 0.00 C ATOM 164 CD2 TYR A 14 -2.277 1.918 -0.450 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.287 4.228 -1.948 1.00 0.00 C ATOM 166 CE2 TYR A 14 -1.579 3.021 -0.010 1.00 0.00 C ATOM 167 CZ TYR A 14 -1.583 4.172 -0.761 1.00 0.00 C ATOM 168 OH TYR A 14 -0.870 5.266 -0.333 1.00 0.00 O ATOM 0 HA TYR A 14 -2.009 -0.519 -1.990 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.474 1.003 -2.851 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.249 0.253 -1.284 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.545 3.158 -3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.264 1.014 0.140 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.289 5.133 -2.538 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.032 2.982 0.920 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.434 5.059 0.520 1.00 0.00 H new ATOM 178 N ILE A 15 -3.568 -2.436 -2.106 1.00 0.00 N ATOM 179 CA ILE A 15 -4.093 -3.754 -2.297 1.00 0.00 C ATOM 180 C ILE A 15 -5.436 -3.852 -1.618 1.00 0.00 C ATOM 181 O ILE A 15 -5.777 -3.030 -0.769 1.00 0.00 O ATOM 182 CB ILE A 15 -3.153 -4.820 -1.689 1.00 0.00 C ATOM 183 CG1 ILE A 15 -3.306 -4.844 -0.172 1.00 0.00 C ATOM 184 CG2 ILE A 15 -1.714 -4.537 -2.081 1.00 0.00 C ATOM 185 CD1 ILE A 15 -2.420 -5.850 0.524 1.00 0.00 C ATOM 0 H ILE A 15 -3.290 -2.232 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.185 -3.936 -3.368 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.426 -5.800 -2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.086 -3.851 0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.346 -5.061 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.063 -5.295 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.622 -4.559 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.423 -3.554 -1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.591 -5.802 1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.654 -6.852 0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.375 -5.623 0.312 1.00 0.00 H new ATOM 197 N LYS A 16 -6.195 -4.816 -1.990 1.00 0.00 N ATOM 198 CA LYS A 16 -7.491 -4.985 -1.420 1.00 0.00 C ATOM 199 C LYS A 16 -7.496 -6.197 -0.530 1.00 0.00 C ATOM 200 O LYS A 16 -6.794 -7.153 -0.786 1.00 0.00 O ATOM 201 CB LYS A 16 -8.510 -5.123 -2.518 1.00 0.00 C ATOM 202 CG LYS A 16 -9.938 -4.888 -2.072 1.00 0.00 C ATOM 203 CD LYS A 16 -10.890 -4.785 -3.257 1.00 0.00 C ATOM 204 CE LYS A 16 -10.981 -6.092 -4.022 1.00 0.00 C ATOM 205 NZ LYS A 16 -11.925 -6.003 -5.160 1.00 0.00 N ATOM 0 H LYS A 16 -5.943 -5.510 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.746 -4.113 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.269 -4.418 -3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.434 -6.123 -2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.254 -5.703 -1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.989 -3.972 -1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.881 -4.501 -2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.552 -3.994 -3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.993 -6.366 -4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.300 -6.886 -3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.958 -6.916 -5.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.874 -5.767 -4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.607 -5.263 -5.818 1.00 0.00 H new ATOM 219 N ILE A 17 -8.217 -6.128 0.533 1.00 0.00 N ATOM 220 CA ILE A 17 -8.327 -7.242 1.435 1.00 0.00 C ATOM 221 C ILE A 17 -9.770 -7.519 1.806 1.00 0.00 C ATOM 222 O ILE A 17 -10.532 -6.596 2.115 1.00 0.00 O ATOM 223 CB ILE A 17 -7.471 -7.061 2.707 1.00 0.00 C ATOM 224 CG1 ILE A 17 -5.979 -7.040 2.356 1.00 0.00 C ATOM 225 CG2 ILE A 17 -7.766 -8.160 3.704 1.00 0.00 C ATOM 226 CD1 ILE A 17 -5.080 -6.766 3.539 1.00 0.00 C ATOM 0 H ILE A 17 -8.750 -5.304 0.810 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.936 -8.106 0.898 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.729 -6.104 3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.705 -7.999 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.805 -6.280 1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.154 -8.017 4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.820 -8.128 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.537 -9.128 3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.040 -6.767 3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.326 -5.794 3.966 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.225 -7.540 4.293 1.00 0.00 H new ATOM 238 N LYS A 18 -10.153 -8.782 1.753 1.00 0.00 N ATOM 239 CA LYS A 18 -11.483 -9.170 2.120 1.00 0.00 C ATOM 240 C LYS A 18 -11.496 -9.608 3.573 1.00 0.00 C ATOM 241 O LYS A 18 -11.009 -10.691 3.908 1.00 0.00 O ATOM 242 CB LYS A 18 -11.999 -10.339 1.274 1.00 0.00 C ATOM 243 CG LYS A 18 -11.574 -10.356 -0.193 1.00 0.00 C ATOM 244 CD LYS A 18 -12.447 -11.332 -0.971 1.00 0.00 C ATOM 245 CE LYS A 18 -12.305 -12.749 -0.444 1.00 0.00 C ATOM 246 NZ LYS A 18 -13.274 -13.671 -1.073 1.00 0.00 N ATOM 0 H LYS A 18 -9.552 -9.551 1.457 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.127 -8.307 1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.667 -11.268 1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.088 -10.335 1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.662 -9.356 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.526 -10.646 -0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.490 -11.021 -0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.173 -11.306 -2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.292 -13.105 -0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.451 -12.751 0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.079 -14.644 -0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.239 -13.405 -0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.187 -13.613 -2.108 1.00 0.00 H new ATOM 260 N VAL A 19 -12.023 -8.773 4.423 1.00 0.00 N ATOM 261 CA VAL A 19 -12.186 -9.106 5.809 1.00 0.00 C ATOM 262 C VAL A 19 -13.445 -9.917 5.967 1.00 0.00 C ATOM 263 O VAL A 19 -14.524 -9.428 5.675 1.00 0.00 O ATOM 264 CB VAL A 19 -12.323 -7.828 6.663 1.00 0.00 C ATOM 265 CG1 VAL A 19 -12.667 -8.173 8.097 1.00 0.00 C ATOM 266 CG2 VAL A 19 -11.048 -7.001 6.602 1.00 0.00 C ATOM 0 H VAL A 19 -12.352 -7.840 4.174 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.313 -9.668 6.140 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.138 -7.232 6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.758 -7.256 8.680 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.612 -8.716 8.124 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.879 -8.795 8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.166 -6.105 7.211 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.214 -7.590 6.982 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.849 -6.714 5.569 1.00 0.00 H new ATOM 276 N VAL A 20 -13.318 -11.146 6.419 1.00 0.00 N ATOM 277 CA VAL A 20 -14.478 -11.976 6.605 1.00 0.00 C ATOM 278 C VAL A 20 -14.595 -12.453 8.042 1.00 0.00 C ATOM 279 O VAL A 20 -13.682 -13.074 8.597 1.00 0.00 O ATOM 280 CB VAL A 20 -14.514 -13.175 5.612 1.00 0.00 C ATOM 281 CG1 VAL A 20 -13.268 -14.028 5.718 1.00 0.00 C ATOM 282 CG2 VAL A 20 -15.768 -14.019 5.819 1.00 0.00 C ATOM 0 H VAL A 20 -12.430 -11.585 6.661 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.345 -11.353 6.385 1.00 0.00 H new ATOM 0 HB VAL A 20 -14.543 -12.761 4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.331 -14.854 5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.391 -13.421 5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.183 -14.424 6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -15.768 -14.849 5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -15.781 -14.408 6.837 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -16.652 -13.403 5.655 1.00 0.00 H new ATOM 292 N GLY A 21 -15.716 -12.124 8.644 1.00 0.00 N ATOM 293 CA GLY A 21 -15.973 -12.516 10.001 1.00 0.00 C ATOM 294 C GLY A 21 -16.690 -13.839 10.068 1.00 0.00 C ATOM 295 O GLY A 21 -17.149 -14.353 9.047 1.00 0.00 O ATOM 0 H GLY A 21 -16.464 -11.584 8.209 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -15.031 -12.584 10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.572 -11.751 10.494 1.00 0.00 H new ATOM 299 N GLN A 22 -16.831 -14.372 11.264 1.00 0.00 N ATOM 300 CA GLN A 22 -17.431 -15.684 11.454 1.00 0.00 C ATOM 301 C GLN A 22 -18.910 -15.669 11.182 1.00 0.00 C ATOM 302 O GLN A 22 -19.489 -16.676 10.795 1.00 0.00 O ATOM 303 CB GLN A 22 -17.143 -16.216 12.840 1.00 0.00 C ATOM 304 CG GLN A 22 -15.664 -16.399 13.103 1.00 0.00 C ATOM 305 CD GLN A 22 -15.016 -17.347 12.116 1.00 0.00 C ATOM 306 OE1 GLN A 22 -15.634 -18.305 11.658 1.00 0.00 O ATOM 307 NE2 GLN A 22 -13.784 -17.064 11.757 1.00 0.00 N ATOM 0 H GLN A 22 -16.537 -13.916 12.128 1.00 0.00 H new ATOM 0 HA GLN A 22 -16.974 -16.356 10.728 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -17.557 -15.531 13.580 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.651 -17.171 12.970 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.166 -15.431 13.053 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.522 -16.779 14.115 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.307 -16.259 12.162 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.305 -17.650 11.073 1.00 0.00 H new ATOM 316 N ASP A 23 -19.520 -14.525 11.373 1.00 0.00 N ATOM 317 CA ASP A 23 -20.935 -14.360 11.060 1.00 0.00 C ATOM 318 C ASP A 23 -21.126 -14.148 9.561 1.00 0.00 C ATOM 319 O ASP A 23 -22.136 -13.599 9.125 1.00 0.00 O ATOM 320 CB ASP A 23 -21.559 -13.211 11.857 1.00 0.00 C ATOM 321 CG ASP A 23 -22.150 -13.680 13.173 1.00 0.00 C ATOM 322 OD1 ASP A 23 -23.142 -14.433 13.148 1.00 0.00 O ATOM 323 OD2 ASP A 23 -21.627 -13.303 14.246 1.00 0.00 O ATOM 0 H ASP A 23 -19.067 -13.689 11.743 1.00 0.00 H new ATOM 0 HA ASP A 23 -21.451 -15.275 11.352 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -20.801 -12.452 12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -22.338 -12.738 11.259 1.00 0.00 H new ATOM 328 N SER A 24 -20.122 -14.593 8.788 1.00 0.00 N ATOM 329 CA SER A 24 -20.137 -14.551 7.322 1.00 0.00 C ATOM 330 C SER A 24 -20.060 -13.128 6.801 1.00 0.00 C ATOM 331 O SER A 24 -20.507 -12.844 5.696 1.00 0.00 O ATOM 332 CB SER A 24 -21.400 -15.228 6.780 1.00 0.00 C ATOM 333 OG SER A 24 -21.535 -16.554 7.280 1.00 0.00 O ATOM 0 H SER A 24 -19.267 -14.997 9.172 1.00 0.00 H new ATOM 0 HA SER A 24 -19.256 -15.090 6.973 1.00 0.00 H new ATOM 0 HB2 SER A 24 -22.276 -14.642 7.058 1.00 0.00 H new ATOM 0 HB3 SER A 24 -21.364 -15.250 5.691 1.00 0.00 H new ATOM 0 HG SER A 24 -22.351 -16.959 6.918 1.00 0.00 H new ATOM 339 N ASN A 25 -19.465 -12.244 7.569 1.00 0.00 N ATOM 340 CA ASN A 25 -19.362 -10.858 7.135 1.00 0.00 C ATOM 341 C ASN A 25 -18.055 -10.604 6.433 1.00 0.00 C ATOM 342 O ASN A 25 -17.025 -10.463 7.069 1.00 0.00 O ATOM 343 CB ASN A 25 -19.508 -9.892 8.302 1.00 0.00 C ATOM 344 CG ASN A 25 -19.532 -8.437 7.846 1.00 0.00 C ATOM 345 OD1 ASN A 25 -20.019 -8.120 6.760 1.00 0.00 O ATOM 346 ND2 ASN A 25 -18.992 -7.549 8.658 1.00 0.00 N ATOM 0 H ASN A 25 -19.051 -12.447 8.479 1.00 0.00 H new ATOM 0 HA ASN A 25 -20.181 -10.685 6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -20.427 -10.116 8.844 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -18.683 -10.039 8.999 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -18.969 -6.564 8.394 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -18.598 -7.847 9.550 1.00 0.00 H new ATOM 353 N GLU A 26 -18.104 -10.550 5.130 1.00 0.00 N ATOM 354 CA GLU A 26 -16.927 -10.264 4.340 1.00 0.00 C ATOM 355 C GLU A 26 -17.064 -8.917 3.651 1.00 0.00 C ATOM 356 O GLU A 26 -18.060 -8.645 2.973 1.00 0.00 O ATOM 357 CB GLU A 26 -16.635 -11.380 3.328 1.00 0.00 C ATOM 358 CG GLU A 26 -15.414 -11.121 2.466 1.00 0.00 C ATOM 359 CD GLU A 26 -15.127 -12.252 1.509 1.00 0.00 C ATOM 360 OE1 GLU A 26 -15.431 -12.111 0.306 1.00 0.00 O ATOM 361 OE2 GLU A 26 -14.593 -13.287 1.946 1.00 0.00 O ATOM 0 H GLU A 26 -18.952 -10.701 4.584 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.074 -10.218 5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.496 -12.318 3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.504 -11.508 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.562 -10.201 1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.547 -10.965 3.108 1.00 0.00 H new ATOM 368 N VAL A 27 -16.069 -8.085 3.839 1.00 0.00 N ATOM 369 CA VAL A 27 -16.064 -6.744 3.302 1.00 0.00 C ATOM 370 C VAL A 27 -14.706 -6.409 2.704 1.00 0.00 C ATOM 371 O VAL A 27 -13.668 -6.864 3.193 1.00 0.00 O ATOM 372 CB VAL A 27 -16.448 -5.721 4.402 1.00 0.00 C ATOM 373 CG1 VAL A 27 -15.528 -5.855 5.595 1.00 0.00 C ATOM 374 CG2 VAL A 27 -16.428 -4.298 3.870 1.00 0.00 C ATOM 0 H VAL A 27 -15.233 -8.320 4.373 1.00 0.00 H new ATOM 0 HA VAL A 27 -16.806 -6.688 2.506 1.00 0.00 H new ATOM 0 HB VAL A 27 -17.467 -5.942 4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.812 -5.129 6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.608 -6.862 6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.500 -5.671 5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.702 -3.607 4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.427 -4.058 3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -17.140 -4.206 3.050 1.00 0.00 H new ATOM 384 N HIS A 28 -14.717 -5.639 1.633 1.00 0.00 N ATOM 385 CA HIS A 28 -13.494 -5.278 0.953 1.00 0.00 C ATOM 386 C HIS A 28 -12.928 -3.968 1.464 1.00 0.00 C ATOM 387 O HIS A 28 -13.557 -2.917 1.361 1.00 0.00 O ATOM 388 CB HIS A 28 -13.712 -5.184 -0.562 1.00 0.00 C ATOM 389 CG HIS A 28 -13.937 -6.500 -1.246 1.00 0.00 C ATOM 390 ND1 HIS A 28 -14.361 -6.604 -2.552 1.00 0.00 N ATOM 391 CD2 HIS A 28 -13.767 -7.766 -0.814 1.00 0.00 C ATOM 392 CE1 HIS A 28 -14.440 -7.877 -2.890 1.00 0.00 C ATOM 393 NE2 HIS A 28 -14.084 -8.605 -1.857 1.00 0.00 N ATOM 0 H HIS A 28 -15.564 -5.252 1.216 1.00 0.00 H new ATOM 0 HA HIS A 28 -12.774 -6.069 1.164 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -14.570 -4.540 -0.753 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -12.844 -4.700 -1.011 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -14.580 -5.818 -3.164 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.441 -8.066 0.171 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.746 -8.256 -3.854 1.00 0.00 H new ATOM 401 N PHE A 29 -11.749 -4.052 2.020 1.00 0.00 N ATOM 402 CA PHE A 29 -11.001 -2.888 2.453 1.00 0.00 C ATOM 403 C PHE A 29 -9.811 -2.679 1.548 1.00 0.00 C ATOM 404 O PHE A 29 -9.182 -3.641 1.107 1.00 0.00 O ATOM 405 CB PHE A 29 -10.500 -3.045 3.892 1.00 0.00 C ATOM 406 CG PHE A 29 -11.539 -2.843 4.961 1.00 0.00 C ATOM 407 CD1 PHE A 29 -12.288 -3.898 5.446 1.00 0.00 C ATOM 408 CD2 PHE A 29 -11.749 -1.583 5.495 1.00 0.00 C ATOM 409 CE1 PHE A 29 -13.219 -3.700 6.432 1.00 0.00 C ATOM 410 CE2 PHE A 29 -12.686 -1.382 6.485 1.00 0.00 C ATOM 411 CZ PHE A 29 -13.421 -2.443 6.955 1.00 0.00 C ATOM 0 H PHE A 29 -11.271 -4.937 2.190 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.672 -2.030 2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.076 -4.043 4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.690 -2.334 4.057 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.138 -4.889 5.044 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.171 -0.747 5.131 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.797 -4.535 6.800 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -12.842 -0.393 6.890 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.155 -2.291 7.732 1.00 0.00 H new ATOM 421 N ARG A 30 -9.509 -1.437 1.255 1.00 0.00 N ATOM 422 CA ARG A 30 -8.350 -1.131 0.449 1.00 0.00 C ATOM 423 C ARG A 30 -7.238 -0.640 1.354 1.00 0.00 C ATOM 424 O ARG A 30 -7.358 0.409 1.991 1.00 0.00 O ATOM 425 CB ARG A 30 -8.657 -0.075 -0.611 1.00 0.00 C ATOM 426 CG ARG A 30 -7.488 0.178 -1.551 1.00 0.00 C ATOM 427 CD ARG A 30 -7.276 -0.986 -2.509 1.00 0.00 C ATOM 428 NE ARG A 30 -8.370 -1.125 -3.474 1.00 0.00 N ATOM 429 CZ ARG A 30 -8.411 -2.055 -4.431 1.00 0.00 C ATOM 430 NH1 ARG A 30 -7.382 -2.874 -4.603 1.00 0.00 N ATOM 431 NH2 ARG A 30 -9.470 -2.146 -5.227 1.00 0.00 N ATOM 0 H ARG A 30 -10.046 -0.625 1.560 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.045 -2.039 -0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.522 -0.392 -1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.929 0.858 -0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.669 1.090 -2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.581 0.340 -0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.338 -0.844 -3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.180 -1.909 -1.938 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.149 -0.470 -3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.560 -2.793 -4.004 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.413 -3.585 -5.334 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.254 -1.505 -5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.499 -2.857 -5.958 1.00 0.00 H new ATOM 445 N VAL A 31 -6.166 -1.385 1.397 1.00 0.00 N ATOM 446 CA VAL A 31 -5.047 -1.081 2.273 1.00 0.00 C ATOM 447 C VAL A 31 -3.720 -1.204 1.535 1.00 0.00 C ATOM 448 O VAL A 31 -3.676 -1.595 0.382 1.00 0.00 O ATOM 449 CB VAL A 31 -5.021 -1.995 3.517 1.00 0.00 C ATOM 450 CG1 VAL A 31 -6.281 -1.818 4.358 1.00 0.00 C ATOM 451 CG2 VAL A 31 -4.847 -3.443 3.113 1.00 0.00 C ATOM 0 H VAL A 31 -6.036 -2.222 0.829 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.185 -0.051 2.602 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.167 -1.703 4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.234 -2.475 5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.355 -0.782 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.156 -2.071 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.831 -4.070 4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.676 -3.744 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.908 -3.559 2.571 1.00 0.00 H new ATOM 461 N LYS A 32 -2.659 -0.852 2.201 1.00 0.00 N ATOM 462 CA LYS A 32 -1.327 -0.911 1.636 1.00 0.00 C ATOM 463 C LYS A 32 -0.725 -2.294 1.887 1.00 0.00 C ATOM 464 O LYS A 32 -1.172 -3.005 2.785 1.00 0.00 O ATOM 465 CB LYS A 32 -0.452 0.149 2.308 1.00 0.00 C ATOM 466 CG LYS A 32 0.856 0.438 1.593 1.00 0.00 C ATOM 467 CD LYS A 32 1.762 1.326 2.440 1.00 0.00 C ATOM 468 CE LYS A 32 1.175 2.715 2.650 1.00 0.00 C ATOM 469 NZ LYS A 32 2.060 3.558 3.491 1.00 0.00 N ATOM 0 H LYS A 32 -2.686 -0.511 3.162 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.376 -0.726 0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.021 1.075 2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.231 -0.174 3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.366 -0.499 1.370 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.653 0.925 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.928 0.854 3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.735 1.414 1.957 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.023 3.197 1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.196 2.630 3.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.630 4.497 3.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.185 3.110 4.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.986 3.659 3.028 1.00 0.00 H new ATOM 483 N TYR A 33 0.277 -2.676 1.093 1.00 0.00 N ATOM 484 CA TYR A 33 1.003 -3.929 1.332 1.00 0.00 C ATOM 485 C TYR A 33 1.549 -3.923 2.767 1.00 0.00 C ATOM 486 O TYR A 33 1.510 -4.931 3.466 1.00 0.00 O ATOM 487 CB TYR A 33 2.212 -4.048 0.384 1.00 0.00 C ATOM 488 CG TYR A 33 1.914 -4.107 -1.096 1.00 0.00 C ATOM 489 CD1 TYR A 33 1.874 -2.949 -1.859 1.00 0.00 C ATOM 490 CD2 TYR A 33 1.719 -5.324 -1.739 1.00 0.00 C ATOM 491 CE1 TYR A 33 1.643 -2.996 -3.216 1.00 0.00 C ATOM 492 CE2 TYR A 33 1.482 -5.379 -3.101 1.00 0.00 C ATOM 493 CZ TYR A 33 1.447 -4.210 -3.834 1.00 0.00 C ATOM 494 OH TYR A 33 1.223 -4.256 -5.189 1.00 0.00 O ATOM 0 H TYR A 33 0.603 -2.144 0.287 1.00 0.00 H new ATOM 0 HA TYR A 33 0.316 -4.759 1.165 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.870 -3.198 0.564 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.769 -4.945 0.654 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.027 -1.993 -1.380 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.753 -6.240 -1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.616 -2.083 -3.793 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.325 -6.330 -3.587 1.00 0.00 H new ATOM 0 HH TYR A 33 1.105 -5.188 -5.470 1.00 0.00 H new ATOM 504 N GLY A 34 2.047 -2.763 3.188 1.00 0.00 N ATOM 505 CA GLY A 34 2.595 -2.604 4.520 1.00 0.00 C ATOM 506 C GLY A 34 1.633 -1.900 5.453 1.00 0.00 C ATOM 507 O GLY A 34 2.048 -1.111 6.304 1.00 0.00 O ATOM 0 H GLY A 34 2.079 -1.918 2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.843 -3.584 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.524 -2.037 4.464 1.00 0.00 H new ATOM 511 N THR A 35 0.347 -2.141 5.257 1.00 0.00 N ATOM 512 CA THR A 35 -0.678 -1.548 6.081 1.00 0.00 C ATOM 513 C THR A 35 -0.608 -2.046 7.529 1.00 0.00 C ATOM 514 O THR A 35 -0.341 -3.219 7.790 1.00 0.00 O ATOM 515 CB THR A 35 -2.084 -1.807 5.477 1.00 0.00 C ATOM 516 OG1 THR A 35 -2.629 -0.582 4.955 1.00 0.00 O ATOM 517 CG2 THR A 35 -3.051 -2.429 6.484 1.00 0.00 C ATOM 0 H THR A 35 -0.009 -2.753 4.522 1.00 0.00 H new ATOM 0 HA THR A 35 -0.500 -0.473 6.100 1.00 0.00 H new ATOM 0 HB THR A 35 -1.960 -2.528 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.435 -0.342 5.458 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.019 -2.589 6.008 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.654 -3.384 6.828 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.171 -1.759 7.335 1.00 0.00 H new ATOM 525 N SER A 36 -0.830 -1.135 8.455 1.00 0.00 N ATOM 526 CA SER A 36 -0.823 -1.461 9.857 1.00 0.00 C ATOM 527 C SER A 36 -2.158 -2.069 10.260 1.00 0.00 C ATOM 528 O SER A 36 -3.166 -1.873 9.580 1.00 0.00 O ATOM 529 CB SER A 36 -0.560 -0.202 10.677 1.00 0.00 C ATOM 530 OG SER A 36 -1.649 0.700 10.590 1.00 0.00 O ATOM 0 H SER A 36 -1.019 -0.153 8.253 1.00 0.00 H new ATOM 0 HA SER A 36 -0.033 -2.187 10.048 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.390 -0.472 11.719 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.348 0.284 10.321 1.00 0.00 H new ATOM 0 HG SER A 36 -1.456 1.498 11.125 1.00 0.00 H new ATOM 536 N MET A 37 -2.172 -2.781 11.379 1.00 0.00 N ATOM 537 CA MET A 37 -3.405 -3.377 11.885 1.00 0.00 C ATOM 538 C MET A 37 -4.442 -2.297 12.187 1.00 0.00 C ATOM 539 O MET A 37 -5.636 -2.503 12.008 1.00 0.00 O ATOM 540 CB MET A 37 -3.127 -4.192 13.154 1.00 0.00 C ATOM 541 CG MET A 37 -2.664 -3.351 14.340 1.00 0.00 C ATOM 542 SD MET A 37 -2.382 -4.323 15.830 1.00 0.00 S ATOM 543 CE MET A 37 -1.802 -3.053 16.954 1.00 0.00 C ATOM 0 H MET A 37 -1.348 -2.960 11.953 1.00 0.00 H new ATOM 0 HA MET A 37 -3.799 -4.040 11.115 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.033 -4.730 13.434 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.367 -4.941 12.934 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.743 -2.832 14.072 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.412 -2.586 14.549 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.244 -3.515 17.768 1.00 0.00 H new ATOM 0 HE2 MET A 37 -1.154 -2.360 16.417 1.00 0.00 H new ATOM 0 HE3 MET A 37 -2.655 -2.510 17.361 1.00 0.00 H new ATOM 553 N ALA A 38 -3.962 -1.135 12.602 1.00 0.00 N ATOM 554 CA ALA A 38 -4.816 -0.022 12.976 1.00 0.00 C ATOM 555 C ALA A 38 -5.661 0.445 11.808 1.00 0.00 C ATOM 556 O ALA A 38 -6.818 0.809 11.980 1.00 0.00 O ATOM 557 CB ALA A 38 -3.986 1.123 13.528 1.00 0.00 C ATOM 0 H ALA A 38 -2.965 -0.938 12.689 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.494 -0.369 13.756 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.642 1.949 13.803 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.440 0.785 14.408 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.279 1.459 12.769 1.00 0.00 H new ATOM 563 N LYS A 39 -5.084 0.402 10.620 1.00 0.00 N ATOM 564 CA LYS A 39 -5.752 0.887 9.425 1.00 0.00 C ATOM 565 C LYS A 39 -7.052 0.129 9.180 1.00 0.00 C ATOM 566 O LYS A 39 -8.066 0.725 8.831 1.00 0.00 O ATOM 567 CB LYS A 39 -4.826 0.716 8.217 1.00 0.00 C ATOM 568 CG LYS A 39 -3.556 1.556 8.294 1.00 0.00 C ATOM 569 CD LYS A 39 -3.869 3.037 8.223 1.00 0.00 C ATOM 570 CE LYS A 39 -2.607 3.878 8.246 1.00 0.00 C ATOM 571 NZ LYS A 39 -2.914 5.327 8.188 1.00 0.00 N ATOM 0 H LYS A 39 -4.147 0.033 10.457 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.989 1.941 9.567 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.551 -0.335 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.372 0.981 7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.029 1.338 9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.888 1.284 7.477 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.430 3.247 7.312 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.507 3.315 9.062 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.042 3.662 9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.973 3.606 7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.028 5.871 8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.432 5.537 7.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.498 5.591 9.007 1.00 0.00 H new ATOM 585 N LEU A 40 -7.017 -1.176 9.374 1.00 0.00 N ATOM 586 CA LEU A 40 -8.194 -2.002 9.166 1.00 0.00 C ATOM 587 C LEU A 40 -9.041 -2.130 10.422 1.00 0.00 C ATOM 588 O LEU A 40 -10.250 -1.957 10.379 1.00 0.00 O ATOM 589 CB LEU A 40 -7.840 -3.394 8.618 1.00 0.00 C ATOM 590 CG LEU A 40 -6.767 -4.191 9.375 1.00 0.00 C ATOM 591 CD1 LEU A 40 -7.025 -5.678 9.236 1.00 0.00 C ATOM 592 CD2 LEU A 40 -5.397 -3.864 8.823 1.00 0.00 C ATOM 0 H LEU A 40 -6.188 -1.688 9.675 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.788 -1.484 8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.752 -3.991 8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.510 -3.277 7.586 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.808 -3.918 10.429 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.258 -6.232 9.777 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.005 -5.917 9.649 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.998 -5.955 8.182 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.641 -4.433 9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.359 -4.125 7.765 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.202 -2.798 8.941 1.00 0.00 H new ATOM 604 N LYS A 41 -8.393 -2.431 11.539 1.00 0.00 N ATOM 605 CA LYS A 41 -9.091 -2.699 12.790 1.00 0.00 C ATOM 606 C LYS A 41 -9.864 -1.515 13.266 1.00 0.00 C ATOM 607 O LYS A 41 -11.030 -1.635 13.599 1.00 0.00 O ATOM 608 CB LYS A 41 -8.098 -3.105 13.850 1.00 0.00 C ATOM 609 CG LYS A 41 -7.446 -4.434 13.589 1.00 0.00 C ATOM 610 CD LYS A 41 -6.302 -4.665 14.534 1.00 0.00 C ATOM 611 CE LYS A 41 -6.775 -4.805 15.979 1.00 0.00 C ATOM 612 NZ LYS A 41 -5.646 -5.052 16.910 1.00 0.00 N ATOM 0 H LYS A 41 -7.377 -2.496 11.605 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.798 -3.507 12.603 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.326 -2.340 13.924 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.604 -3.142 14.815 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.181 -5.232 13.699 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.087 -4.471 12.561 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.764 -5.566 14.239 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.598 -3.836 14.461 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.300 -3.898 16.278 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.489 -5.625 16.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.760 -4.461 17.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.636 -6.055 17.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.750 -4.813 16.440 1.00 0.00 H new ATOM 626 N LYS A 42 -9.229 -0.369 13.272 1.00 0.00 N ATOM 627 CA LYS A 42 -9.902 0.844 13.676 1.00 0.00 C ATOM 628 C LYS A 42 -11.052 1.115 12.739 1.00 0.00 C ATOM 629 O LYS A 42 -12.143 1.450 13.163 1.00 0.00 O ATOM 630 CB LYS A 42 -8.946 2.037 13.662 1.00 0.00 C ATOM 631 CG LYS A 42 -9.597 3.343 14.091 1.00 0.00 C ATOM 632 CD LYS A 42 -8.633 4.514 13.999 1.00 0.00 C ATOM 633 CE LYS A 42 -8.282 4.831 12.551 1.00 0.00 C ATOM 634 NZ LYS A 42 -7.458 6.058 12.432 1.00 0.00 N ATOM 0 H LYS A 42 -8.252 -0.249 13.004 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.269 0.709 14.693 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.105 1.826 14.322 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.541 2.156 12.657 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.466 3.538 13.463 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.958 3.249 15.115 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.078 5.392 14.468 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.723 4.283 14.554 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.743 3.989 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.199 4.954 11.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.243 6.236 11.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.982 6.867 12.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.571 5.933 12.960 1.00 0.00 H new ATOM 648 N SER A 43 -10.792 0.935 11.458 1.00 0.00 N ATOM 649 CA SER A 43 -11.763 1.231 10.432 1.00 0.00 C ATOM 650 C SER A 43 -12.985 0.308 10.538 1.00 0.00 C ATOM 651 O SER A 43 -14.129 0.768 10.579 1.00 0.00 O ATOM 652 CB SER A 43 -11.097 1.086 9.055 1.00 0.00 C ATOM 653 OG SER A 43 -11.999 1.389 8.008 1.00 0.00 O ATOM 0 H SER A 43 -9.903 0.580 11.104 1.00 0.00 H new ATOM 0 HA SER A 43 -12.115 2.254 10.564 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.234 1.749 8.996 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.727 0.068 8.934 1.00 0.00 H new ATOM 0 HG SER A 43 -11.545 1.289 7.146 1.00 0.00 H new ATOM 659 N TYR A 44 -12.728 -0.982 10.595 1.00 0.00 N ATOM 660 CA TYR A 44 -13.774 -1.983 10.686 1.00 0.00 C ATOM 661 C TYR A 44 -14.526 -1.895 11.990 1.00 0.00 C ATOM 662 O TYR A 44 -15.753 -1.868 12.007 1.00 0.00 O ATOM 663 CB TYR A 44 -13.173 -3.360 10.534 1.00 0.00 C ATOM 664 CG TYR A 44 -14.179 -4.491 10.556 1.00 0.00 C ATOM 665 CD1 TYR A 44 -14.759 -4.952 9.384 1.00 0.00 C ATOM 666 CD2 TYR A 44 -14.548 -5.090 11.751 1.00 0.00 C ATOM 667 CE1 TYR A 44 -15.682 -5.981 9.403 1.00 0.00 C ATOM 668 CE2 TYR A 44 -15.464 -6.118 11.783 1.00 0.00 C ATOM 669 CZ TYR A 44 -16.031 -6.561 10.611 1.00 0.00 C ATOM 670 OH TYR A 44 -16.950 -7.586 10.645 1.00 0.00 O ATOM 0 H TYR A 44 -11.784 -1.369 10.580 1.00 0.00 H new ATOM 0 HA TYR A 44 -14.485 -1.796 9.882 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -12.621 -3.400 9.595 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -12.451 -3.518 11.335 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -14.486 -4.500 8.442 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -14.108 -4.744 12.675 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -16.127 -6.330 8.483 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -15.736 -6.574 12.724 1.00 0.00 H new ATOM 0 HH TYR A 44 -17.079 -7.879 11.571 1.00 0.00 H new ATOM 680 N ALA A 45 -13.786 -1.837 13.081 1.00 0.00 N ATOM 681 CA ALA A 45 -14.384 -1.786 14.401 1.00 0.00 C ATOM 682 C ALA A 45 -15.261 -0.566 14.517 1.00 0.00 C ATOM 683 O ALA A 45 -16.308 -0.585 15.165 1.00 0.00 O ATOM 684 CB ALA A 45 -13.318 -1.779 15.480 1.00 0.00 C ATOM 0 H ALA A 45 -12.766 -1.824 13.079 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.995 -2.678 14.541 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.793 -1.740 16.460 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.717 -2.685 15.403 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.677 -0.907 15.353 1.00 0.00 H new ATOM 690 N ASP A 46 -14.829 0.489 13.877 1.00 0.00 N ATOM 691 CA ASP A 46 -15.545 1.760 13.908 1.00 0.00 C ATOM 692 C ASP A 46 -16.901 1.645 13.231 1.00 0.00 C ATOM 693 O ASP A 46 -17.916 2.063 13.785 1.00 0.00 O ATOM 694 CB ASP A 46 -14.722 2.851 13.237 1.00 0.00 C ATOM 695 CG ASP A 46 -15.366 4.214 13.318 1.00 0.00 C ATOM 696 OD1 ASP A 46 -15.421 4.786 14.424 1.00 0.00 O ATOM 697 OD2 ASP A 46 -15.797 4.733 12.271 1.00 0.00 O ATOM 0 H ASP A 46 -13.976 0.503 13.319 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.705 2.025 14.953 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.737 2.893 13.702 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.569 2.590 12.190 1.00 0.00 H new ATOM 702 N ARG A 47 -16.922 1.037 12.043 1.00 0.00 N ATOM 703 CA ARG A 47 -18.162 0.906 11.279 1.00 0.00 C ATOM 704 C ARG A 47 -19.142 -0.046 11.959 1.00 0.00 C ATOM 705 O ARG A 47 -20.349 0.067 11.780 1.00 0.00 O ATOM 706 CB ARG A 47 -17.893 0.433 9.836 1.00 0.00 C ATOM 707 CG ARG A 47 -17.483 -1.026 9.713 1.00 0.00 C ATOM 708 CD ARG A 47 -17.501 -1.488 8.263 1.00 0.00 C ATOM 709 NE ARG A 47 -18.867 -1.532 7.721 1.00 0.00 N ATOM 710 CZ ARG A 47 -19.178 -1.852 6.456 1.00 0.00 C ATOM 711 NH1 ARG A 47 -18.222 -2.068 5.562 1.00 0.00 N ATOM 712 NH2 ARG A 47 -20.448 -1.926 6.085 1.00 0.00 N ATOM 0 H ARG A 47 -16.101 0.631 11.593 1.00 0.00 H new ATOM 0 HA ARG A 47 -18.611 1.899 11.241 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.792 0.595 9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.109 1.055 9.404 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -16.484 -1.161 10.127 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.158 -1.646 10.302 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -16.892 -0.815 7.659 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -17.049 -2.477 8.191 1.00 0.00 H new ATOM 0 HE ARG A 47 -19.634 -1.302 8.353 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.242 -1.991 5.835 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -18.467 -2.311 4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.189 -1.740 6.761 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -20.685 -2.169 5.123 1.00 0.00 H new ATOM 726 N THR A 48 -18.616 -0.980 12.740 1.00 0.00 N ATOM 727 CA THR A 48 -19.457 -1.963 13.405 1.00 0.00 C ATOM 728 C THR A 48 -19.780 -1.558 14.853 1.00 0.00 C ATOM 729 O THR A 48 -20.538 -2.250 15.549 1.00 0.00 O ATOM 730 CB THR A 48 -18.831 -3.387 13.355 1.00 0.00 C ATOM 731 OG1 THR A 48 -19.710 -4.341 13.966 1.00 0.00 O ATOM 732 CG2 THR A 48 -17.480 -3.422 14.049 1.00 0.00 C ATOM 0 H THR A 48 -17.618 -1.077 12.927 1.00 0.00 H new ATOM 0 HA THR A 48 -20.397 -1.992 12.853 1.00 0.00 H new ATOM 0 HB THR A 48 -18.687 -3.647 12.306 1.00 0.00 H new ATOM 0 HG1 THR A 48 -20.243 -3.898 14.659 1.00 0.00 H new ATOM 0 HG21 THR A 48 -17.070 -4.431 13.996 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.800 -2.727 13.556 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.600 -3.133 15.093 1.00 0.00 H new ATOM 740 N GLY A 49 -19.203 -0.441 15.302 1.00 0.00 N ATOM 741 CA GLY A 49 -19.468 0.048 16.649 1.00 0.00 C ATOM 742 C GLY A 49 -18.887 -0.850 17.722 1.00 0.00 C ATOM 743 O GLY A 49 -19.480 -1.022 18.784 1.00 0.00 O ATOM 0 H GLY A 49 -18.558 0.133 14.758 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -19.053 1.050 16.756 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.545 0.132 16.795 1.00 0.00 H new ATOM 747 N VAL A 50 -17.737 -1.420 17.437 1.00 0.00 N ATOM 748 CA VAL A 50 -17.081 -2.345 18.344 1.00 0.00 C ATOM 749 C VAL A 50 -15.720 -1.826 18.774 1.00 0.00 C ATOM 750 O VAL A 50 -15.038 -1.151 18.004 1.00 0.00 O ATOM 751 CB VAL A 50 -16.914 -3.742 17.703 1.00 0.00 C ATOM 752 CG1 VAL A 50 -16.103 -4.661 18.608 1.00 0.00 C ATOM 753 CG2 VAL A 50 -18.273 -4.353 17.407 1.00 0.00 C ATOM 0 H VAL A 50 -17.227 -1.257 16.569 1.00 0.00 H new ATOM 0 HA VAL A 50 -17.722 -2.432 19.221 1.00 0.00 H new ATOM 0 HB VAL A 50 -16.372 -3.625 16.765 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -15.999 -5.638 18.136 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -15.115 -4.231 18.772 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -16.614 -4.773 19.564 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -18.139 -5.336 16.956 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -18.837 -4.453 18.334 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -18.819 -3.709 16.718 1.00 0.00 H new ATOM 763 N ALA A 51 -15.361 -2.104 20.030 1.00 0.00 N ATOM 764 CA ALA A 51 -14.054 -1.750 20.564 1.00 0.00 C ATOM 765 C ALA A 51 -12.955 -2.252 19.629 1.00 0.00 C ATOM 766 O ALA A 51 -12.941 -3.429 19.251 1.00 0.00 O ATOM 767 CB ALA A 51 -13.887 -2.374 21.950 1.00 0.00 C ATOM 0 H ALA A 51 -15.968 -2.578 20.698 1.00 0.00 H new ATOM 0 HA ALA A 51 -13.977 -0.666 20.644 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.909 -2.110 22.352 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -14.666 -1.999 22.614 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.967 -3.458 21.873 1.00 0.00 H new ATOM 773 N VAL A 52 -12.038 -1.362 19.272 1.00 0.00 N ATOM 774 CA VAL A 52 -10.958 -1.683 18.341 1.00 0.00 C ATOM 775 C VAL A 52 -10.074 -2.794 18.892 1.00 0.00 C ATOM 776 O VAL A 52 -9.716 -3.728 18.179 1.00 0.00 O ATOM 777 CB VAL A 52 -10.089 -0.433 18.035 1.00 0.00 C ATOM 778 CG1 VAL A 52 -8.855 -0.803 17.218 1.00 0.00 C ATOM 779 CG2 VAL A 52 -10.911 0.621 17.308 1.00 0.00 C ATOM 0 H VAL A 52 -12.019 -0.402 19.616 1.00 0.00 H new ATOM 0 HA VAL A 52 -11.421 -2.024 17.415 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.750 -0.020 18.985 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.267 0.093 17.020 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.250 -1.518 17.776 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.165 -1.250 16.273 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.287 1.490 17.101 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -11.282 0.209 16.370 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.754 0.919 17.932 1.00 0.00 H new ATOM 789 N ASN A 53 -9.745 -2.692 20.164 1.00 0.00 N ATOM 790 CA ASN A 53 -8.893 -3.677 20.824 1.00 0.00 C ATOM 791 C ASN A 53 -9.584 -5.037 20.898 1.00 0.00 C ATOM 792 O ASN A 53 -8.938 -6.084 20.830 1.00 0.00 O ATOM 793 CB ASN A 53 -8.506 -3.200 22.226 1.00 0.00 C ATOM 794 CG ASN A 53 -7.449 -4.080 22.871 1.00 0.00 C ATOM 795 OD1 ASN A 53 -6.614 -4.676 22.188 1.00 0.00 O ATOM 796 ND2 ASN A 53 -7.463 -4.151 24.189 1.00 0.00 N ATOM 0 H ASN A 53 -10.055 -1.933 20.771 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.986 -3.788 20.230 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.136 -2.176 22.168 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.394 -3.182 22.858 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.766 -4.714 24.677 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.171 -3.643 24.720 1.00 0.00 H new ATOM 803 N SER A 54 -10.899 -5.010 21.022 1.00 0.00 N ATOM 804 CA SER A 54 -11.685 -6.223 21.141 1.00 0.00 C ATOM 805 C SER A 54 -11.992 -6.834 19.773 1.00 0.00 C ATOM 806 O SER A 54 -12.570 -7.924 19.683 1.00 0.00 O ATOM 807 CB SER A 54 -12.968 -5.936 21.890 1.00 0.00 C ATOM 808 OG SER A 54 -12.690 -5.444 23.192 1.00 0.00 O ATOM 0 H SER A 54 -11.449 -4.151 21.043 1.00 0.00 H new ATOM 0 HA SER A 54 -11.097 -6.951 21.700 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.561 -5.206 21.339 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.566 -6.845 21.959 1.00 0.00 H new ATOM 0 HG SER A 54 -13.532 -5.263 23.660 1.00 0.00 H new ATOM 814 N LEU A 55 -11.624 -6.127 18.724 1.00 0.00 N ATOM 815 CA LEU A 55 -11.791 -6.624 17.377 1.00 0.00 C ATOM 816 C LEU A 55 -10.463 -7.242 16.952 1.00 0.00 C ATOM 817 O LEU A 55 -9.435 -6.567 16.943 1.00 0.00 O ATOM 818 CB LEU A 55 -12.151 -5.465 16.426 1.00 0.00 C ATOM 819 CG LEU A 55 -13.081 -5.794 15.237 1.00 0.00 C ATOM 820 CD1 LEU A 55 -12.774 -7.152 14.629 1.00 0.00 C ATOM 821 CD2 LEU A 55 -14.534 -5.712 15.654 1.00 0.00 C ATOM 0 H LEU A 55 -11.204 -5.199 18.782 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.594 -7.360 17.338 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.621 -4.677 17.015 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.224 -5.054 16.027 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.895 -5.045 14.467 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.453 -7.340 13.797 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.745 -7.165 14.268 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.903 -7.927 15.385 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.171 -5.947 14.801 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.723 -6.425 16.456 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.755 -4.704 16.005 1.00 0.00 H new ATOM 833 N ARG A 56 -10.471 -8.514 16.608 1.00 0.00 N ATOM 834 CA ARG A 56 -9.230 -9.183 16.264 1.00 0.00 C ATOM 835 C ARG A 56 -9.262 -9.670 14.847 1.00 0.00 C ATOM 836 O ARG A 56 -10.180 -10.385 14.442 1.00 0.00 O ATOM 837 CB ARG A 56 -8.922 -10.373 17.196 1.00 0.00 C ATOM 838 CG ARG A 56 -8.848 -10.045 18.684 1.00 0.00 C ATOM 839 CD ARG A 56 -10.216 -10.109 19.335 1.00 0.00 C ATOM 840 NE ARG A 56 -10.839 -11.428 19.152 1.00 0.00 N ATOM 841 CZ ARG A 56 -12.061 -11.752 19.575 1.00 0.00 C ATOM 842 NH1 ARG A 56 -12.771 -10.894 20.294 1.00 0.00 N ATOM 843 NH2 ARG A 56 -12.562 -12.949 19.300 1.00 0.00 N ATOM 0 H ARG A 56 -11.306 -9.098 16.559 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.440 -8.442 16.386 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.688 -11.134 17.048 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.972 -10.813 16.892 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.175 -10.745 19.179 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.426 -9.049 18.818 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.124 -9.894 20.400 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.859 -9.339 18.909 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.299 -12.145 18.668 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.383 -9.980 20.527 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.705 -11.148 20.615 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.012 -13.621 18.765 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.497 -13.197 19.624 1.00 0.00 H new ATOM 857 N PHE A 57 -8.263 -9.287 14.096 1.00 0.00 N ATOM 858 CA PHE A 57 -8.126 -9.732 12.739 1.00 0.00 C ATOM 859 C PHE A 57 -7.007 -10.722 12.676 1.00 0.00 C ATOM 860 O PHE A 57 -5.915 -10.475 13.201 1.00 0.00 O ATOM 861 CB PHE A 57 -7.851 -8.563 11.830 1.00 0.00 C ATOM 862 CG PHE A 57 -9.017 -7.648 11.675 1.00 0.00 C ATOM 863 CD1 PHE A 57 -9.446 -6.875 12.729 1.00 0.00 C ATOM 864 CD2 PHE A 57 -9.661 -7.537 10.471 1.00 0.00 C ATOM 865 CE1 PHE A 57 -10.498 -6.009 12.581 1.00 0.00 C ATOM 866 CE2 PHE A 57 -10.717 -6.678 10.316 1.00 0.00 C ATOM 867 CZ PHE A 57 -11.134 -5.913 11.371 1.00 0.00 C ATOM 0 H PHE A 57 -7.523 -8.658 14.410 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.051 -10.202 12.406 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.005 -7.998 12.222 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.558 -8.936 10.849 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.948 -6.951 13.684 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.332 -8.134 9.633 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.824 -5.405 13.415 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.219 -6.605 9.363 1.00 0.00 H new ATOM 0 HZ PHE A 57 -11.965 -5.233 11.250 1.00 0.00 H new ATOM 877 N LEU A 58 -7.260 -11.831 12.058 1.00 0.00 N ATOM 878 CA LEU A 58 -6.308 -12.881 12.036 1.00 0.00 C ATOM 879 C LEU A 58 -5.894 -13.259 10.668 1.00 0.00 C ATOM 880 O LEU A 58 -6.617 -13.071 9.684 1.00 0.00 O ATOM 881 CB LEU A 58 -6.836 -14.114 12.734 1.00 0.00 C ATOM 882 CG LEU A 58 -6.857 -14.082 14.253 1.00 0.00 C ATOM 883 CD1 LEU A 58 -5.579 -13.560 14.804 1.00 0.00 C ATOM 884 CD2 LEU A 58 -8.037 -13.300 14.786 1.00 0.00 C ATOM 0 H LEU A 58 -8.128 -12.028 11.559 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.437 -12.492 12.563 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.852 -14.295 12.383 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.234 -14.967 12.420 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.971 -15.112 14.590 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.629 -13.551 15.893 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.757 -14.200 14.484 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.413 -12.546 14.440 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.013 -13.303 15.876 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.986 -12.273 14.425 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.963 -13.760 14.442 1.00 0.00 H new ATOM 896 N PHE A 59 -4.732 -13.799 10.621 1.00 0.00 N ATOM 897 CA PHE A 59 -4.188 -14.340 9.423 1.00 0.00 C ATOM 898 C PHE A 59 -3.853 -15.778 9.672 1.00 0.00 C ATOM 899 O PHE A 59 -2.899 -16.085 10.379 1.00 0.00 O ATOM 900 CB PHE A 59 -2.959 -13.568 8.960 1.00 0.00 C ATOM 901 CG PHE A 59 -2.302 -14.202 7.772 1.00 0.00 C ATOM 902 CD1 PHE A 59 -2.968 -14.291 6.569 1.00 0.00 C ATOM 903 CD2 PHE A 59 -1.022 -14.716 7.865 1.00 0.00 C ATOM 904 CE1 PHE A 59 -2.375 -14.882 5.476 1.00 0.00 C ATOM 905 CE2 PHE A 59 -0.420 -15.309 6.776 1.00 0.00 C ATOM 906 CZ PHE A 59 -1.098 -15.395 5.579 1.00 0.00 C ATOM 0 H PHE A 59 -4.116 -13.881 11.430 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.924 -14.257 8.623 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.247 -12.547 8.711 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.242 -13.506 9.779 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.968 -13.892 6.482 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.488 -14.652 8.801 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.909 -14.944 4.539 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.581 -15.705 6.860 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.631 -15.862 4.724 1.00 0.00 H new ATOM 916 N ASP A 60 -4.664 -16.654 9.121 1.00 0.00 N ATOM 917 CA ASP A 60 -4.523 -18.093 9.325 1.00 0.00 C ATOM 918 C ASP A 60 -4.502 -18.457 10.811 1.00 0.00 C ATOM 919 O ASP A 60 -3.926 -19.466 11.215 1.00 0.00 O ATOM 920 CB ASP A 60 -3.291 -18.645 8.596 1.00 0.00 C ATOM 921 CG ASP A 60 -3.464 -18.645 7.087 1.00 0.00 C ATOM 922 OD1 ASP A 60 -4.629 -18.635 6.617 1.00 0.00 O ATOM 923 OD2 ASP A 60 -2.448 -18.670 6.364 1.00 0.00 O ATOM 0 H ASP A 60 -5.444 -16.396 8.516 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.403 -18.567 8.890 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.418 -18.047 8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.096 -19.662 8.937 1.00 0.00 H new ATOM 928 N GLY A 61 -5.166 -17.632 11.612 1.00 0.00 N ATOM 929 CA GLY A 61 -5.276 -17.880 13.035 1.00 0.00 C ATOM 930 C GLY A 61 -4.249 -17.131 13.848 1.00 0.00 C ATOM 931 O GLY A 61 -4.315 -17.115 15.076 1.00 0.00 O ATOM 0 H GLY A 61 -5.636 -16.784 11.294 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.273 -17.597 13.371 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.169 -18.949 13.221 1.00 0.00 H new ATOM 935 N ARG A 62 -3.305 -16.493 13.185 1.00 0.00 N ATOM 936 CA ARG A 62 -2.301 -15.745 13.893 1.00 0.00 C ATOM 937 C ARG A 62 -2.588 -14.256 13.787 1.00 0.00 C ATOM 938 O ARG A 62 -3.122 -13.792 12.782 1.00 0.00 O ATOM 939 CB ARG A 62 -0.883 -16.144 13.437 1.00 0.00 C ATOM 940 CG ARG A 62 -0.433 -15.667 12.059 1.00 0.00 C ATOM 941 CD ARG A 62 -0.002 -14.218 12.077 1.00 0.00 C ATOM 942 NE ARG A 62 0.833 -13.885 10.938 1.00 0.00 N ATOM 943 CZ ARG A 62 1.324 -12.679 10.714 1.00 0.00 C ATOM 944 NH1 ARG A 62 0.973 -11.666 11.490 1.00 0.00 N ATOM 945 NH2 ARG A 62 2.159 -12.475 9.709 1.00 0.00 N ATOM 0 H ARG A 62 -3.217 -16.480 12.169 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.341 -15.993 14.954 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.173 -15.767 14.173 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.816 -17.232 13.457 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.393 -16.287 11.712 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.248 -15.795 11.347 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.884 -13.577 12.080 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.543 -14.013 12.998 1.00 0.00 H new ATOM 0 HE ARG A 62 1.054 -14.625 10.272 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.323 -11.816 12.262 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.352 -10.735 11.316 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.427 -13.250 9.103 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.535 -11.542 9.540 1.00 0.00 H new ATOM 959 N ARG A 63 -2.245 -13.520 14.827 1.00 0.00 N ATOM 960 CA ARG A 63 -2.625 -12.113 14.943 1.00 0.00 C ATOM 961 C ARG A 63 -1.935 -11.220 13.922 1.00 0.00 C ATOM 962 O ARG A 63 -0.780 -11.440 13.563 1.00 0.00 O ATOM 963 CB ARG A 63 -2.351 -11.576 16.362 1.00 0.00 C ATOM 964 CG ARG A 63 -3.207 -12.192 17.476 1.00 0.00 C ATOM 965 CD ARG A 63 -2.872 -13.660 17.707 1.00 0.00 C ATOM 966 NE ARG A 63 -1.441 -13.861 17.953 1.00 0.00 N ATOM 967 CZ ARG A 63 -0.815 -15.038 17.874 1.00 0.00 C ATOM 968 NH1 ARG A 63 -1.496 -16.144 17.585 1.00 0.00 N ATOM 969 NH2 ARG A 63 0.489 -15.108 18.096 1.00 0.00 N ATOM 0 H ARG A 63 -1.699 -13.871 15.614 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.695 -12.080 14.739 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.301 -11.744 16.599 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.508 -10.497 16.361 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.054 -11.635 18.401 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.262 -12.097 17.217 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.443 -14.033 18.557 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.177 -14.243 16.838 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.884 -13.044 18.202 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.502 -16.096 17.422 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.012 -17.040 17.526 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.013 -14.264 18.327 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.969 -16.006 18.036 1.00 0.00 H new ATOM 983 N ILE A 64 -2.671 -10.228 13.451 1.00 0.00 N ATOM 984 CA ILE A 64 -2.139 -9.219 12.552 1.00 0.00 C ATOM 985 C ILE A 64 -1.885 -7.941 13.346 1.00 0.00 C ATOM 986 O ILE A 64 -2.807 -7.391 13.958 1.00 0.00 O ATOM 987 CB ILE A 64 -3.141 -8.908 11.412 1.00 0.00 C ATOM 988 CG1 ILE A 64 -3.445 -10.178 10.618 1.00 0.00 C ATOM 989 CG2 ILE A 64 -2.594 -7.817 10.488 1.00 0.00 C ATOM 990 CD1 ILE A 64 -4.575 -10.017 9.629 1.00 0.00 C ATOM 0 H ILE A 64 -3.656 -10.100 13.682 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.215 -9.594 12.112 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.066 -8.541 11.857 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.546 -10.486 10.083 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.693 -10.980 11.313 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.315 -7.616 9.696 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.422 -6.906 11.062 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.654 -8.151 10.047 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.734 -10.958 9.102 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.486 -9.739 10.159 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.321 -9.237 8.911 1.00 0.00 H new ATOM 1002 N ASN A 65 -0.649 -7.481 13.347 1.00 0.00 N ATOM 1003 CA ASN A 65 -0.277 -6.294 14.099 1.00 0.00 C ATOM 1004 C ASN A 65 0.303 -5.231 13.185 1.00 0.00 C ATOM 1005 O ASN A 65 0.537 -5.473 12.008 1.00 0.00 O ATOM 1006 CB ASN A 65 0.713 -6.631 15.223 1.00 0.00 C ATOM 1007 CG ASN A 65 0.088 -7.461 16.332 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -0.599 -6.930 17.212 1.00 0.00 O ATOM 1009 ND2 ASN A 65 0.328 -8.758 16.311 1.00 0.00 N ATOM 0 H ASN A 65 0.119 -7.912 12.833 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.185 -5.899 14.555 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.560 -7.173 14.804 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.104 -5.705 15.645 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.058 -9.360 17.038 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.900 -9.159 15.568 1.00 0.00 H new ATOM 1016 N ASP A 66 0.534 -4.045 13.736 1.00 0.00 N ATOM 1017 CA ASP A 66 1.073 -2.920 12.961 1.00 0.00 C ATOM 1018 C ASP A 66 2.527 -3.164 12.587 1.00 0.00 C ATOM 1019 O ASP A 66 3.087 -2.475 11.743 1.00 0.00 O ATOM 1020 CB ASP A 66 0.962 -1.613 13.758 1.00 0.00 C ATOM 1021 CG ASP A 66 1.764 -1.639 15.050 1.00 0.00 C ATOM 1022 OD1 ASP A 66 1.377 -2.378 15.985 1.00 0.00 O ATOM 1023 OD2 ASP A 66 2.783 -0.920 15.139 1.00 0.00 O ATOM 0 H ASP A 66 0.358 -3.832 14.718 1.00 0.00 H new ATOM 0 HA ASP A 66 0.484 -2.835 12.048 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.307 -0.785 13.139 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.086 -1.423 13.990 1.00 0.00 H new ATOM 1028 N ASP A 67 3.122 -4.154 13.220 1.00 0.00 N ATOM 1029 CA ASP A 67 4.513 -4.509 12.978 1.00 0.00 C ATOM 1030 C ASP A 67 4.645 -5.397 11.739 1.00 0.00 C ATOM 1031 O ASP A 67 5.740 -5.581 11.203 1.00 0.00 O ATOM 1032 CB ASP A 67 5.087 -5.224 14.202 1.00 0.00 C ATOM 1033 CG ASP A 67 6.550 -5.564 14.047 1.00 0.00 C ATOM 1034 OD1 ASP A 67 7.384 -4.633 14.054 1.00 0.00 O ATOM 1035 OD2 ASP A 67 6.878 -6.762 13.923 1.00 0.00 O ATOM 0 H ASP A 67 2.659 -4.737 13.917 1.00 0.00 H new ATOM 0 HA ASP A 67 5.076 -3.593 12.799 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.956 -4.592 15.081 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.523 -6.139 14.381 1.00 0.00 H new ATOM 1040 N ASP A 68 3.524 -5.935 11.293 1.00 0.00 N ATOM 1041 CA ASP A 68 3.497 -6.852 10.163 1.00 0.00 C ATOM 1042 C ASP A 68 3.908 -6.221 8.852 1.00 0.00 C ATOM 1043 O ASP A 68 3.781 -5.007 8.642 1.00 0.00 O ATOM 1044 CB ASP A 68 2.142 -7.522 10.022 1.00 0.00 C ATOM 1045 CG ASP A 68 2.001 -8.701 10.939 1.00 0.00 C ATOM 1046 OD1 ASP A 68 2.554 -9.768 10.616 1.00 0.00 O ATOM 1047 OD2 ASP A 68 1.347 -8.580 11.988 1.00 0.00 O ATOM 0 H ASP A 68 2.608 -5.750 11.701 1.00 0.00 H new ATOM 0 HA ASP A 68 4.248 -7.608 10.392 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.356 -6.799 10.238 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.003 -7.846 8.991 1.00 0.00 H new ATOM 1052 N THR A 69 4.409 -7.070 7.979 1.00 0.00 N ATOM 1053 CA THR A 69 4.866 -6.690 6.673 1.00 0.00 C ATOM 1054 C THR A 69 4.173 -7.555 5.616 1.00 0.00 C ATOM 1055 O THR A 69 3.679 -8.649 5.925 1.00 0.00 O ATOM 1056 CB THR A 69 6.395 -6.883 6.568 1.00 0.00 C ATOM 1057 OG1 THR A 69 6.726 -8.251 6.852 1.00 0.00 O ATOM 1058 CG2 THR A 69 7.126 -5.970 7.540 1.00 0.00 C ATOM 0 H THR A 69 4.509 -8.067 8.170 1.00 0.00 H new ATOM 0 HA THR A 69 4.625 -5.640 6.506 1.00 0.00 H new ATOM 0 HB THR A 69 6.707 -6.628 5.555 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.696 -8.374 6.784 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.201 -6.125 7.447 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.888 -4.931 7.312 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.814 -6.199 8.559 1.00 0.00 H new ATOM 1066 N PRO A 70 4.131 -7.099 4.357 1.00 0.00 N ATOM 1067 CA PRO A 70 3.483 -7.844 3.268 1.00 0.00 C ATOM 1068 C PRO A 70 4.162 -9.181 2.984 1.00 0.00 C ATOM 1069 O PRO A 70 3.564 -10.071 2.393 1.00 0.00 O ATOM 1070 CB PRO A 70 3.624 -6.912 2.061 1.00 0.00 C ATOM 1071 CG PRO A 70 4.766 -6.019 2.404 1.00 0.00 C ATOM 1072 CD PRO A 70 4.689 -5.818 3.884 1.00 0.00 C ATOM 0 HA PRO A 70 2.452 -8.096 3.514 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.821 -7.474 1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.711 -6.341 1.893 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.716 -6.471 2.119 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.693 -5.069 1.875 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.669 -5.619 4.317 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.048 -4.976 4.145 1.00 0.00 H new ATOM 1080 N LYS A 71 5.404 -9.320 3.421 1.00 0.00 N ATOM 1081 CA LYS A 71 6.159 -10.516 3.182 1.00 0.00 C ATOM 1082 C LYS A 71 5.780 -11.620 4.182 1.00 0.00 C ATOM 1083 O LYS A 71 5.896 -12.805 3.884 1.00 0.00 O ATOM 1084 CB LYS A 71 7.675 -10.183 3.195 1.00 0.00 C ATOM 1085 CG LYS A 71 8.567 -11.271 3.753 1.00 0.00 C ATOM 1086 CD LYS A 71 8.700 -11.131 5.258 1.00 0.00 C ATOM 1087 CE LYS A 71 8.872 -12.472 5.914 1.00 0.00 C ATOM 1088 NZ LYS A 71 10.123 -13.152 5.489 1.00 0.00 N ATOM 0 H LYS A 71 5.905 -8.604 3.948 1.00 0.00 H new ATOM 0 HA LYS A 71 5.916 -10.910 2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.991 -9.963 2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.827 -9.275 3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.153 -12.249 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.552 -11.216 3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.554 -10.496 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.815 -10.637 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.880 -12.346 6.997 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.018 -13.104 5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.215 -14.057 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.092 -13.328 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.940 -12.548 5.712 1.00 0.00 H new ATOM 1102 N THR A 72 5.318 -11.222 5.361 1.00 0.00 N ATOM 1103 CA THR A 72 4.940 -12.184 6.379 1.00 0.00 C ATOM 1104 C THR A 72 3.444 -12.464 6.308 1.00 0.00 C ATOM 1105 O THR A 72 3.003 -13.591 6.520 1.00 0.00 O ATOM 1106 CB THR A 72 5.355 -11.736 7.813 1.00 0.00 C ATOM 1107 OG1 THR A 72 5.073 -12.774 8.756 1.00 0.00 O ATOM 1108 CG2 THR A 72 4.633 -10.473 8.233 1.00 0.00 C ATOM 0 H THR A 72 5.198 -10.246 5.631 1.00 0.00 H new ATOM 0 HA THR A 72 5.486 -13.104 6.173 1.00 0.00 H new ATOM 0 HB THR A 72 6.426 -11.532 7.794 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.339 -12.482 9.653 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.948 -10.191 9.238 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.874 -9.668 7.538 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.557 -10.649 8.226 1.00 0.00 H new ATOM 1116 N LEU A 73 2.662 -11.428 6.008 1.00 0.00 N ATOM 1117 CA LEU A 73 1.232 -11.596 5.828 1.00 0.00 C ATOM 1118 C LEU A 73 0.963 -12.250 4.485 1.00 0.00 C ATOM 1119 O LEU A 73 -0.081 -12.859 4.279 1.00 0.00 O ATOM 1120 CB LEU A 73 0.508 -10.251 5.904 1.00 0.00 C ATOM 1121 CG LEU A 73 0.579 -9.518 7.243 1.00 0.00 C ATOM 1122 CD1 LEU A 73 -0.056 -8.141 7.123 1.00 0.00 C ATOM 1123 CD2 LEU A 73 -0.114 -10.325 8.329 1.00 0.00 C ATOM 0 H LEU A 73 2.997 -10.472 5.886 1.00 0.00 H new ATOM 0 HA LEU A 73 0.855 -12.232 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.919 -9.598 5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.541 -10.413 5.658 1.00 0.00 H new ATOM 0 HG LEU A 73 1.627 -9.398 7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.001 -7.629 8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.476 -7.560 6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.100 -8.246 6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.054 -9.788 9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.160 -10.472 8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.375 -11.294 8.430 1.00 0.00 H new ATOM 1135 N GLU A 74 1.933 -12.102 3.566 1.00 0.00 N ATOM 1136 CA GLU A 74 1.863 -12.684 2.231 1.00 0.00 C ATOM 1137 C GLU A 74 0.555 -12.304 1.511 1.00 0.00 C ATOM 1138 O GLU A 74 0.068 -13.033 0.646 1.00 0.00 O ATOM 1139 CB GLU A 74 2.014 -14.189 2.354 1.00 0.00 C ATOM 1140 CG GLU A 74 3.375 -14.632 2.874 1.00 0.00 C ATOM 1141 CD GLU A 74 3.486 -16.135 3.028 1.00 0.00 C ATOM 1142 OE1 GLU A 74 3.827 -16.603 4.141 1.00 0.00 O ATOM 1143 OE2 GLU A 74 3.232 -16.861 2.042 1.00 0.00 O ATOM 0 H GLU A 74 2.787 -11.572 3.737 1.00 0.00 H new ATOM 0 HA GLU A 74 2.673 -12.285 1.620 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.240 -14.569 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.844 -14.642 1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.150 -14.283 2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.562 -14.158 3.838 1.00 0.00 H new ATOM 1150 N MET A 75 0.025 -11.139 1.859 1.00 0.00 N ATOM 1151 CA MET A 75 -1.226 -10.653 1.305 1.00 0.00 C ATOM 1152 C MET A 75 -1.024 -9.919 -0.008 1.00 0.00 C ATOM 1153 O MET A 75 0.066 -9.416 -0.298 1.00 0.00 O ATOM 1154 CB MET A 75 -1.932 -9.761 2.316 1.00 0.00 C ATOM 1155 CG MET A 75 -2.294 -10.498 3.582 1.00 0.00 C ATOM 1156 SD MET A 75 -3.095 -9.457 4.810 1.00 0.00 S ATOM 1157 CE MET A 75 -3.367 -10.651 6.114 1.00 0.00 C ATOM 0 H MET A 75 0.453 -10.506 2.534 1.00 0.00 H new ATOM 0 HA MET A 75 -1.852 -11.520 1.092 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.289 -8.916 2.562 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.837 -9.352 1.866 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.955 -11.329 3.334 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.390 -10.928 4.014 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.431 -10.135 7.072 1.00 0.00 H new ATOM 0 HE2 MET A 75 -4.298 -11.187 5.928 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.539 -11.359 6.138 1.00 0.00 H new ATOM 1167 N GLU A 76 -2.084 -9.863 -0.792 1.00 0.00 N ATOM 1168 CA GLU A 76 -2.072 -9.244 -2.093 1.00 0.00 C ATOM 1169 C GLU A 76 -3.472 -8.751 -2.424 1.00 0.00 C ATOM 1170 O GLU A 76 -4.356 -8.796 -1.572 1.00 0.00 O ATOM 1171 CB GLU A 76 -1.552 -10.214 -3.156 1.00 0.00 C ATOM 1172 CG GLU A 76 -2.333 -11.507 -3.271 1.00 0.00 C ATOM 1173 CD GLU A 76 -1.689 -12.467 -4.238 1.00 0.00 C ATOM 1174 OE1 GLU A 76 -1.698 -12.186 -5.455 1.00 0.00 O ATOM 1175 OE2 GLU A 76 -1.160 -13.504 -3.784 1.00 0.00 O ATOM 0 H GLU A 76 -2.990 -10.254 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.393 -8.392 -2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.563 -9.712 -4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.512 -10.452 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.407 -11.975 -2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.350 -11.289 -3.598 1.00 0.00 H new ATOM 1182 N ASP A 77 -3.668 -8.273 -3.638 1.00 0.00 N ATOM 1183 CA ASP A 77 -4.949 -7.700 -4.039 1.00 0.00 C ATOM 1184 C ASP A 77 -6.113 -8.687 -3.875 1.00 0.00 C ATOM 1185 O ASP A 77 -6.123 -9.781 -4.450 1.00 0.00 O ATOM 1186 CB ASP A 77 -4.890 -7.192 -5.474 1.00 0.00 C ATOM 1187 CG ASP A 77 -6.108 -6.377 -5.849 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -6.264 -5.262 -5.311 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -6.903 -6.827 -6.695 1.00 0.00 O ATOM 0 H ASP A 77 -2.957 -8.268 -4.369 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.138 -6.861 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.995 -6.584 -5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.801 -8.040 -6.153 1.00 0.00 H new ATOM 1194 N ASP A 78 -7.068 -8.262 -3.058 1.00 0.00 N ATOM 1195 CA ASP A 78 -8.308 -8.988 -2.745 1.00 0.00 C ATOM 1196 C ASP A 78 -8.012 -10.274 -1.984 1.00 0.00 C ATOM 1197 O ASP A 78 -8.702 -11.283 -2.134 1.00 0.00 O ATOM 1198 CB ASP A 78 -9.138 -9.253 -4.006 1.00 0.00 C ATOM 1199 CG ASP A 78 -10.561 -9.717 -3.711 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -11.327 -8.950 -3.092 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -10.927 -10.838 -4.137 1.00 0.00 O ATOM 0 H ASP A 78 -7.005 -7.367 -2.572 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.910 -8.353 -2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.178 -8.342 -4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.636 -10.009 -4.610 1.00 0.00 H new ATOM 1206 N ASP A 79 -6.979 -10.229 -1.148 1.00 0.00 N ATOM 1207 CA ASP A 79 -6.633 -11.378 -0.322 1.00 0.00 C ATOM 1208 C ASP A 79 -7.622 -11.495 0.816 1.00 0.00 C ATOM 1209 O ASP A 79 -8.487 -10.644 0.976 1.00 0.00 O ATOM 1210 CB ASP A 79 -5.214 -11.284 0.215 1.00 0.00 C ATOM 1211 CG ASP A 79 -4.671 -12.631 0.657 1.00 0.00 C ATOM 1212 OD1 ASP A 79 -5.282 -13.673 0.308 1.00 0.00 O ATOM 1213 OD2 ASP A 79 -3.634 -12.660 1.333 1.00 0.00 O ATOM 0 H ASP A 79 -6.373 -9.418 -1.026 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.681 -12.271 -0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.564 -10.868 -0.555 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.192 -10.593 1.057 1.00 0.00 H new ATOM 1218 N VAL A 80 -7.497 -12.518 1.608 1.00 0.00 N ATOM 1219 CA VAL A 80 -8.462 -12.767 2.641 1.00 0.00 C ATOM 1220 C VAL A 80 -7.895 -12.569 4.042 1.00 0.00 C ATOM 1221 O VAL A 80 -6.736 -12.878 4.324 1.00 0.00 O ATOM 1222 CB VAL A 80 -9.029 -14.193 2.514 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -9.742 -14.350 1.189 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -7.919 -15.219 2.636 1.00 0.00 C ATOM 0 H VAL A 80 -6.736 -13.195 1.560 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.257 -12.034 2.503 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.742 -14.358 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.140 -15.362 1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.560 -13.632 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.040 -14.169 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.338 -16.221 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.186 -15.058 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.434 -15.116 3.607 1.00 0.00 H new ATOM 1234 N ILE A 81 -8.741 -12.044 4.896 1.00 0.00 N ATOM 1235 CA ILE A 81 -8.455 -11.841 6.298 1.00 0.00 C ATOM 1236 C ILE A 81 -9.565 -12.443 7.130 1.00 0.00 C ATOM 1237 O ILE A 81 -10.745 -12.251 6.831 1.00 0.00 O ATOM 1238 CB ILE A 81 -8.260 -10.332 6.641 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -6.799 -9.916 6.443 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -8.766 -9.975 8.025 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -6.502 -8.484 6.857 1.00 0.00 C ATOM 0 H ILE A 81 -9.676 -11.737 4.627 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.515 -12.341 6.531 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.873 -9.762 5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.160 -10.589 7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.535 -10.042 5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.604 -8.913 8.209 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.831 -10.197 8.091 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.227 -10.559 8.771 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.448 -8.267 6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.113 -7.801 6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.732 -8.356 7.915 1.00 0.00 H new ATOM 1253 N GLU A 82 -9.198 -13.176 8.161 1.00 0.00 N ATOM 1254 CA GLU A 82 -10.180 -13.844 8.980 1.00 0.00 C ATOM 1255 C GLU A 82 -10.408 -13.086 10.262 1.00 0.00 C ATOM 1256 O GLU A 82 -9.476 -12.598 10.880 1.00 0.00 O ATOM 1257 CB GLU A 82 -9.736 -15.264 9.279 1.00 0.00 C ATOM 1258 CG GLU A 82 -9.520 -16.103 8.029 1.00 0.00 C ATOM 1259 CD GLU A 82 -9.083 -17.514 8.337 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -9.917 -18.305 8.823 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -7.909 -17.845 8.079 1.00 0.00 O ATOM 0 H GLU A 82 -8.230 -13.322 8.448 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.121 -13.879 8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.810 -15.234 9.853 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.485 -15.747 9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.445 -16.132 7.453 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.768 -15.624 7.401 1.00 0.00 H new ATOM 1268 N VAL A 83 -11.642 -12.986 10.649 1.00 0.00 N ATOM 1269 CA VAL A 83 -12.007 -12.289 11.859 1.00 0.00 C ATOM 1270 C VAL A 83 -12.778 -13.192 12.778 1.00 0.00 C ATOM 1271 O VAL A 83 -13.683 -13.912 12.347 1.00 0.00 O ATOM 1272 CB VAL A 83 -12.847 -11.018 11.571 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -13.320 -10.364 12.863 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -12.038 -10.033 10.778 1.00 0.00 C ATOM 0 H VAL A 83 -12.431 -13.383 10.139 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.077 -11.982 12.337 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.723 -11.320 10.996 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.906 -9.476 12.628 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.936 -11.068 13.423 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.456 -10.080 13.464 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.638 -9.144 10.581 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -11.149 -9.753 11.344 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.739 -10.485 9.832 1.00 0.00 H new ATOM 1284 N TYR A 84 -12.407 -13.180 14.028 1.00 0.00 N ATOM 1285 CA TYR A 84 -13.129 -13.922 15.021 1.00 0.00 C ATOM 1286 C TYR A 84 -14.040 -12.967 15.743 1.00 0.00 C ATOM 1287 O TYR A 84 -13.731 -11.777 15.838 1.00 0.00 O ATOM 1288 CB TYR A 84 -12.186 -14.658 15.966 1.00 0.00 C ATOM 1289 CG TYR A 84 -11.446 -15.801 15.290 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -10.070 -15.797 15.183 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -12.140 -16.869 14.731 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -9.393 -16.818 14.541 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -11.475 -17.899 14.092 1.00 0.00 C ATOM 1294 CZ TYR A 84 -10.102 -17.868 13.998 1.00 0.00 C ATOM 1295 OH TYR A 84 -9.434 -18.887 13.353 1.00 0.00 O ATOM 0 H TYR A 84 -11.604 -12.661 14.384 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.729 -14.699 14.548 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.461 -13.952 16.371 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.756 -15.049 16.809 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.510 -14.979 15.610 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.218 -16.894 14.797 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.316 -16.793 14.466 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -12.030 -18.723 13.669 1.00 0.00 H new ATOM 0 HH TYR A 84 -10.081 -19.549 13.029 1.00 0.00 H new ATOM 1305 N GLN A 85 -15.141 -13.460 16.267 1.00 0.00 N ATOM 1306 CA GLN A 85 -16.168 -12.571 16.769 1.00 0.00 C ATOM 1307 C GLN A 85 -15.729 -11.816 18.011 1.00 0.00 C ATOM 1308 O GLN A 85 -15.265 -12.395 19.000 1.00 0.00 O ATOM 1309 CB GLN A 85 -17.481 -13.312 16.984 1.00 0.00 C ATOM 1310 CG GLN A 85 -17.989 -14.006 15.721 1.00 0.00 C ATOM 1311 CD GLN A 85 -17.996 -13.084 14.502 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -17.032 -13.037 13.740 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -19.076 -12.369 14.301 1.00 0.00 N ATOM 0 H GLN A 85 -15.347 -14.455 16.356 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.339 -11.816 16.002 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -17.348 -14.054 17.771 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -18.236 -12.608 17.334 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -17.363 -14.873 15.511 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -18.999 -14.377 15.897 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -19.858 -12.432 14.953 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -19.135 -11.750 13.493 1.00 0.00 H new ATOM 1322 N GLU A 86 -15.922 -10.515 17.930 1.00 0.00 N ATOM 1323 CA GLU A 86 -15.464 -9.542 18.901 1.00 0.00 C ATOM 1324 C GLU A 86 -16.105 -9.703 20.272 1.00 0.00 C ATOM 1325 O GLU A 86 -17.156 -10.325 20.423 1.00 0.00 O ATOM 1326 CB GLU A 86 -15.710 -8.134 18.376 1.00 0.00 C ATOM 1327 CG GLU A 86 -17.164 -7.847 17.995 1.00 0.00 C ATOM 1328 CD GLU A 86 -17.536 -8.322 16.600 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -17.567 -7.493 15.682 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -17.828 -9.524 16.436 1.00 0.00 O ATOM 0 H GLU A 86 -16.424 -10.089 17.151 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.397 -9.717 19.037 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.398 -7.417 19.135 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.079 -7.969 17.503 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.822 -8.327 18.720 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.343 -6.774 18.064 1.00 0.00 H new ATOM 1337 N GLN A 87 -15.445 -9.118 21.269 1.00 0.00 N ATOM 1338 CA GLN A 87 -15.884 -9.196 22.655 1.00 0.00 C ATOM 1339 C GLN A 87 -17.222 -8.494 22.855 1.00 0.00 C ATOM 1340 O GLN A 87 -18.141 -9.045 23.451 1.00 0.00 O ATOM 1341 CB GLN A 87 -14.825 -8.556 23.553 1.00 0.00 C ATOM 1342 CG GLN A 87 -15.143 -8.596 25.031 1.00 0.00 C ATOM 1343 CD GLN A 87 -15.255 -10.008 25.564 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -16.339 -10.594 25.591 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -14.141 -10.565 25.981 1.00 0.00 N ATOM 0 H GLN A 87 -14.591 -8.577 21.136 1.00 0.00 H new ATOM 0 HA GLN A 87 -16.015 -10.246 22.918 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.873 -9.061 23.386 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.692 -7.517 23.252 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.366 -8.065 25.581 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.079 -8.068 25.212 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.265 -10.045 25.941 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.152 -11.518 26.345 1.00 0.00 H new ATOM 1354 N LEU A 88 -17.316 -7.277 22.347 1.00 0.00 N ATOM 1355 CA LEU A 88 -18.527 -6.481 22.480 1.00 0.00 C ATOM 1356 C LEU A 88 -19.660 -7.075 21.654 1.00 0.00 C ATOM 1357 O LEU A 88 -20.814 -7.097 22.079 1.00 0.00 O ATOM 1358 CB LEU A 88 -18.267 -5.032 22.060 1.00 0.00 C ATOM 1359 CG LEU A 88 -19.449 -4.074 22.222 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -19.855 -3.969 23.683 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -19.110 -2.704 21.663 1.00 0.00 C ATOM 0 H LEU A 88 -16.564 -6.815 21.835 1.00 0.00 H new ATOM 0 HA LEU A 88 -18.825 -6.492 23.528 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.429 -4.649 22.643 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -17.958 -5.026 21.015 1.00 0.00 H new ATOM 0 HG LEU A 88 -20.292 -4.474 21.658 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -20.697 -3.283 23.778 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -20.145 -4.953 24.052 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -19.015 -3.595 24.268 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -19.964 -2.038 21.788 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -18.251 -2.296 22.196 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -18.871 -2.792 20.603 1.00 0.00 H new