USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 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 8 SER OG : rot 75:sc= 1.16 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot -51:sc= 0.702 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00147 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 30 LYS NZ :NH3+ -127:sc= 0.916 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.456 K(o=0.46,f=-0.34) USER MOD Single : A 36 LYS NZ :NH3+ -112:sc= 0.321 (180deg=-0.893) USER MOD Single : A 37 CYS SG : rot 180:sc=-0.00846 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.268) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -44:sc= 0.102 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= 0.00702 (180deg=-0.121) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.253 USER MOD Single : A 74 ASN : amide:sc= 0.249 X(o=0.25,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc=-0.00172 K(o=-0.0017,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 157 N SER A 8 2.071 -0.255 6.851 1.00 12.23 N ATOM 158 CA SER A 8 1.289 -1.237 6.088 1.00 72.40 C ATOM 159 C SER A 8 1.848 -2.655 6.316 1.00 72.11 C ATOM 160 O SER A 8 3.055 -2.825 6.341 1.00 62.34 O ATOM 161 CB SER A 8 1.286 -0.811 4.599 1.00 23.35 C ATOM 162 OG SER A 8 1.615 -1.871 3.721 1.00 3.31 O ATOM 0 HA SER A 8 0.254 -1.264 6.429 1.00 72.40 H new ATOM 0 HB2 SER A 8 0.301 -0.424 4.339 1.00 23.35 H new ATOM 0 HB3 SER A 8 1.996 0.004 4.458 1.00 23.35 H new ATOM 0 HG SER A 8 0.854 -2.484 3.649 1.00 3.31 H new ATOM 168 N ARG A 9 0.975 -3.674 6.507 1.00 1.43 N ATOM 169 CA ARG A 9 1.478 -5.048 6.878 1.00 51.11 C ATOM 170 C ARG A 9 0.725 -6.154 6.130 1.00 4.32 C ATOM 171 O ARG A 9 -0.392 -5.928 5.684 1.00 12.21 O ATOM 172 CB ARG A 9 1.442 -5.400 8.406 1.00 34.50 C ATOM 173 CG ARG A 9 1.862 -4.275 9.350 1.00 3.13 C ATOM 174 CD ARG A 9 0.693 -3.516 9.971 1.00 15.22 C ATOM 175 NE ARG A 9 -0.089 -4.331 10.906 1.00 52.54 N ATOM 176 CZ ARG A 9 0.203 -4.476 12.212 1.00 30.24 C ATOM 177 NH1 ARG A 9 1.272 -3.880 12.754 1.00 60.31 N ATOM 178 NH2 ARG A 9 -0.603 -5.194 12.990 1.00 1.22 N ATOM 0 H ARG A 9 -0.038 -3.594 6.419 1.00 1.43 H new ATOM 0 HA ARG A 9 2.526 -5.004 6.581 1.00 51.11 H new ATOM 0 HB2 ARG A 9 0.430 -5.710 8.666 1.00 34.50 H new ATOM 0 HB3 ARG A 9 2.092 -6.258 8.579 1.00 34.50 H new ATOM 0 HG2 ARG A 9 2.475 -4.694 10.148 1.00 3.13 H new ATOM 0 HG3 ARG A 9 2.489 -3.571 8.803 1.00 3.13 H new ATOM 0 HD2 ARG A 9 1.074 -2.638 10.494 1.00 15.22 H new ATOM 0 HD3 ARG A 9 0.039 -3.155 9.177 1.00 15.22 H new ATOM 0 HE ARG A 9 -0.907 -4.820 10.543 1.00 52.54 H new ATOM 0 HH11 ARG A 9 1.883 -3.303 12.175 1.00 60.31 H new ATOM 0 HH12 ARG A 9 1.476 -4.002 13.746 1.00 60.31 H new ATOM 0 HH21 ARG A 9 -1.436 -5.631 12.596 1.00 1.22 H new ATOM 0 HH22 ARG A 9 -0.387 -5.308 13.980 1.00 1.22 H new ATOM 192 N ILE A 10 1.317 -7.366 6.019 1.00 1.32 N ATOM 193 CA ILE A 10 0.690 -8.467 5.275 1.00 40.23 C ATOM 194 C ILE A 10 0.805 -9.733 6.126 1.00 72.32 C ATOM 195 O ILE A 10 1.891 -9.995 6.727 1.00 24.02 O ATOM 196 CB ILE A 10 1.305 -8.731 3.835 1.00 70.23 C ATOM 197 CG1 ILE A 10 1.289 -7.498 2.898 1.00 44.03 C ATOM 198 CG2 ILE A 10 0.620 -9.902 3.106 1.00 12.44 C ATOM 199 CD1 ILE A 10 2.488 -6.587 3.032 1.00 72.03 C ATOM 0 H ILE A 10 2.220 -7.598 6.433 1.00 1.32 H new ATOM 0 HA ILE A 10 -0.346 -8.182 5.093 1.00 40.23 H new ATOM 0 HB ILE A 10 2.345 -8.980 4.047 1.00 70.23 H new ATOM 0 HG12 ILE A 10 1.226 -7.844 1.866 1.00 44.03 H new ATOM 0 HG13 ILE A 10 0.387 -6.920 3.096 1.00 44.03 H new ATOM 0 HG21 ILE A 10 1.079 -10.039 2.127 1.00 12.44 H new ATOM 0 HG22 ILE A 10 0.736 -10.814 3.692 1.00 12.44 H new ATOM 0 HG23 ILE A 10 -0.441 -9.683 2.982 1.00 12.44 H new ATOM 0 HD11 ILE A 10 2.390 -5.752 2.338 1.00 72.03 H new ATOM 0 HD12 ILE A 10 2.544 -6.206 4.052 1.00 72.03 H new ATOM 0 HD13 ILE A 10 3.396 -7.145 2.803 1.00 72.03 H new ATOM 211 N TYR A 11 -0.344 -10.451 6.210 1.00 21.43 N ATOM 212 CA TYR A 11 -0.481 -11.703 6.979 1.00 24.31 C ATOM 213 C TYR A 11 -0.604 -12.925 6.001 1.00 71.34 C ATOM 214 O TYR A 11 -1.608 -13.014 5.263 1.00 75.24 O ATOM 215 CB TYR A 11 -1.760 -11.561 7.844 1.00 42.53 C ATOM 216 CG TYR A 11 -1.936 -12.575 8.956 1.00 34.24 C ATOM 217 CD1 TYR A 11 -1.378 -12.349 10.211 1.00 54.35 C ATOM 218 CD2 TYR A 11 -2.700 -13.725 8.776 1.00 44.50 C ATOM 219 CE1 TYR A 11 -1.565 -13.245 11.248 1.00 62.12 C ATOM 220 CE2 TYR A 11 -2.897 -14.619 9.813 1.00 13.51 C ATOM 221 CZ TYR A 11 -2.328 -14.376 11.042 1.00 52.33 C ATOM 222 OH TYR A 11 -2.530 -15.265 12.075 1.00 42.22 O ATOM 0 H TYR A 11 -1.205 -10.170 5.740 1.00 21.43 H new ATOM 0 HA TYR A 11 0.391 -11.877 7.610 1.00 24.31 H new ATOM 0 HB2 TYR A 11 -1.765 -10.565 8.286 1.00 42.53 H new ATOM 0 HB3 TYR A 11 -2.627 -11.622 7.186 1.00 42.53 H new ATOM 0 HD1 TYR A 11 -0.789 -11.459 10.378 1.00 54.35 H new ATOM 0 HD2 TYR A 11 -3.146 -13.922 7.812 1.00 44.50 H new ATOM 0 HE1 TYR A 11 -1.117 -13.060 12.213 1.00 62.12 H new ATOM 0 HE2 TYR A 11 -3.495 -15.505 9.659 1.00 13.51 H new ATOM 0 HH TYR A 11 -3.090 -16.006 11.764 1.00 42.22 H new ATOM 232 N VAL A 12 0.377 -13.883 5.955 1.00 32.41 N ATOM 233 CA VAL A 12 0.217 -15.011 4.999 1.00 12.44 C ATOM 234 C VAL A 12 0.278 -16.360 5.791 1.00 12.41 C ATOM 235 O VAL A 12 1.346 -16.788 6.240 1.00 22.43 O ATOM 236 CB VAL A 12 1.279 -14.891 3.777 1.00 32.44 C ATOM 237 CG1 VAL A 12 2.693 -14.657 4.275 1.00 24.33 C ATOM 238 CG2 VAL A 12 1.308 -16.104 2.832 1.00 10.50 C ATOM 0 H VAL A 12 1.223 -13.896 6.525 1.00 32.41 H new ATOM 0 HA VAL A 12 -0.760 -14.975 4.516 1.00 12.44 H new ATOM 0 HB VAL A 12 0.919 -14.032 3.211 1.00 32.44 H new ATOM 0 HG11 VAL A 12 3.371 -14.583 3.425 1.00 24.33 H new ATOM 0 HG12 VAL A 12 2.728 -13.731 4.849 1.00 24.33 H new ATOM 0 HG13 VAL A 12 2.997 -15.489 4.910 1.00 24.33 H new ATOM 0 HG21 VAL A 12 2.045 -15.936 2.047 1.00 10.50 H new ATOM 0 HG22 VAL A 12 1.575 -16.998 3.396 1.00 10.50 H new ATOM 0 HG23 VAL A 12 0.324 -16.239 2.383 1.00 10.50 H new ATOM 248 N GLY A 13 -0.895 -17.024 5.999 1.00 54.23 N ATOM 249 CA GLY A 13 -0.929 -18.231 6.848 1.00 3.42 C ATOM 250 C GLY A 13 -1.604 -19.439 6.212 1.00 63.02 C ATOM 251 O GLY A 13 -2.241 -19.307 5.165 1.00 35.44 O ATOM 0 H GLY A 13 -1.794 -16.750 5.603 1.00 54.23 H new ATOM 0 HA2 GLY A 13 0.093 -18.501 7.113 1.00 3.42 H new ATOM 0 HA3 GLY A 13 -1.446 -17.990 7.777 1.00 3.42 H new ATOM 255 N ASN A 14 -1.471 -20.639 6.862 1.00 42.31 N ATOM 256 CA ASN A 14 -1.996 -21.940 6.332 1.00 13.03 C ATOM 257 C ASN A 14 -1.609 -22.224 4.847 1.00 50.44 C ATOM 258 O ASN A 14 -2.246 -23.009 4.187 1.00 41.34 O ATOM 259 CB ASN A 14 -3.532 -21.982 6.487 1.00 11.50 C ATOM 260 CG ASN A 14 -4.007 -21.724 7.910 1.00 33.23 C ATOM 261 OD1 ASN A 14 -4.337 -20.594 8.274 1.00 54.44 O ATOM 262 ND2 ASN A 14 -4.032 -22.764 8.728 1.00 33.32 N ATOM 0 H ASN A 14 -1.000 -20.730 7.762 1.00 42.31 H new ATOM 0 HA ASN A 14 -1.524 -22.724 6.925 1.00 13.03 H new ATOM 0 HB2 ASN A 14 -3.976 -21.240 5.824 1.00 11.50 H new ATOM 0 HB3 ASN A 14 -3.895 -22.957 6.163 1.00 11.50 H new ATOM 0 HD21 ASN A 14 -4.332 -22.645 9.696 1.00 33.32 H new ATOM 0 HD22 ASN A 14 -3.752 -23.685 8.391 1.00 33.32 H new ATOM 269 N LEU A 15 -0.513 -21.629 4.381 1.00 43.31 N ATOM 270 CA LEU A 15 -0.081 -21.624 2.989 1.00 62.15 C ATOM 271 C LEU A 15 0.742 -22.892 2.637 1.00 3.05 C ATOM 272 O LEU A 15 1.399 -23.460 3.521 1.00 55.40 O ATOM 273 CB LEU A 15 0.769 -20.345 2.764 1.00 41.34 C ATOM 274 CG LEU A 15 2.170 -20.323 3.413 1.00 71.05 C ATOM 275 CD1 LEU A 15 3.058 -19.377 2.664 1.00 34.02 C ATOM 276 CD2 LEU A 15 2.140 -19.900 4.879 1.00 5.12 C ATOM 0 H LEU A 15 0.124 -21.116 4.991 1.00 43.31 H new ATOM 0 HA LEU A 15 -0.955 -21.628 2.337 1.00 62.15 H new ATOM 0 HB2 LEU A 15 0.889 -20.200 1.690 1.00 41.34 H new ATOM 0 HB3 LEU A 15 0.206 -19.491 3.140 1.00 41.34 H new ATOM 0 HG LEU A 15 2.551 -21.343 3.367 1.00 71.05 H new ATOM 0 HD11 LEU A 15 4.046 -19.364 3.124 1.00 34.02 H new ATOM 0 HD12 LEU A 15 3.145 -19.703 1.628 1.00 34.02 H new ATOM 0 HD13 LEU A 15 2.630 -18.375 2.694 1.00 34.02 H new ATOM 0 HD21 LEU A 15 3.154 -19.904 5.280 1.00 5.12 H new ATOM 0 HD22 LEU A 15 1.722 -18.897 4.960 1.00 5.12 H new ATOM 0 HD23 LEU A 15 1.523 -20.597 5.446 1.00 5.12 H new ATOM 288 N PRO A 16 0.700 -23.373 1.358 1.00 74.34 N ATOM 289 CA PRO A 16 1.564 -24.486 0.913 1.00 34.40 C ATOM 290 C PRO A 16 3.042 -24.040 0.776 1.00 25.31 C ATOM 291 O PRO A 16 3.264 -22.885 0.410 1.00 34.34 O ATOM 292 CB PRO A 16 0.954 -24.900 -0.444 1.00 63.35 C ATOM 293 CG PRO A 16 0.188 -23.720 -0.932 1.00 41.13 C ATOM 294 CD PRO A 16 -0.225 -22.931 0.279 1.00 45.22 C ATOM 0 HA PRO A 16 1.592 -25.312 1.624 1.00 34.40 H new ATOM 0 HB2 PRO A 16 1.734 -25.178 -1.153 1.00 63.35 H new ATOM 0 HB3 PRO A 16 0.303 -25.767 -0.330 1.00 63.35 H new ATOM 0 HG2 PRO A 16 0.800 -23.112 -1.598 1.00 41.13 H new ATOM 0 HG3 PRO A 16 -0.685 -24.036 -1.502 1.00 41.13 H new ATOM 0 HD2 PRO A 16 -0.140 -21.859 0.100 1.00 45.22 H new ATOM 0 HD3 PRO A 16 -1.264 -23.128 0.544 1.00 45.22 H new ATOM 302 N SER A 17 4.027 -24.928 1.179 1.00 10.33 N ATOM 303 CA SER A 17 5.508 -24.731 1.082 1.00 14.35 C ATOM 304 C SER A 17 6.043 -23.898 2.257 1.00 43.33 C ATOM 305 O SER A 17 7.143 -24.179 2.757 1.00 25.43 O ATOM 306 CB SER A 17 6.018 -24.172 -0.284 1.00 34.25 C ATOM 307 OG SER A 17 5.970 -22.752 -0.367 1.00 2.14 O ATOM 0 H SER A 17 3.789 -25.829 1.594 1.00 10.33 H new ATOM 0 HA SER A 17 5.920 -25.738 1.141 1.00 14.35 H new ATOM 0 HB2 SER A 17 7.044 -24.503 -0.443 1.00 34.25 H new ATOM 0 HB3 SER A 17 5.417 -24.596 -1.089 1.00 34.25 H new ATOM 0 HG SER A 17 5.075 -22.440 -0.119 1.00 2.14 H new ATOM 313 N HIS A 18 5.220 -22.926 2.724 1.00 53.52 N ATOM 314 CA HIS A 18 5.522 -22.010 3.846 1.00 1.32 C ATOM 315 C HIS A 18 6.716 -21.112 3.488 1.00 22.15 C ATOM 316 O HIS A 18 7.860 -21.453 3.795 1.00 5.34 O ATOM 317 CB HIS A 18 5.791 -22.738 5.189 1.00 3.24 C ATOM 318 CG HIS A 18 4.831 -23.847 5.553 1.00 74.31 C ATOM 319 ND1 HIS A 18 3.495 -23.640 5.806 1.00 52.15 N ATOM 320 CD2 HIS A 18 5.035 -25.183 5.699 1.00 32.21 C ATOM 321 CE1 HIS A 18 2.920 -24.794 6.094 1.00 65.51 C ATOM 322 NE2 HIS A 18 3.830 -25.748 6.030 1.00 43.13 N ATOM 0 H HIS A 18 4.301 -22.755 2.316 1.00 53.52 H new ATOM 0 HA HIS A 18 4.627 -21.406 3.996 1.00 1.32 H new ATOM 0 HB2 HIS A 18 6.798 -23.154 5.157 1.00 3.24 H new ATOM 0 HB3 HIS A 18 5.777 -21.997 5.989 1.00 3.24 H new ATOM 0 HD2 HIS A 18 5.973 -25.704 5.577 1.00 32.21 H new ATOM 0 HE1 HIS A 18 1.878 -24.934 6.341 1.00 65.51 H new ATOM 0 HE2 HIS A 18 3.665 -26.740 6.199 1.00 43.13 H new ATOM 331 N VAL A 19 6.421 -19.996 2.785 1.00 12.55 N ATOM 332 CA VAL A 19 7.446 -19.045 2.295 1.00 44.12 C ATOM 333 C VAL A 19 8.261 -18.453 3.492 1.00 52.44 C ATOM 334 O VAL A 19 7.682 -17.870 4.418 1.00 14.53 O ATOM 335 CB VAL A 19 6.787 -17.928 1.360 1.00 64.52 C ATOM 336 CG1 VAL A 19 5.621 -17.160 1.988 1.00 22.11 C ATOM 337 CG2 VAL A 19 7.797 -16.943 0.825 1.00 75.13 C ATOM 0 H VAL A 19 5.467 -19.729 2.541 1.00 12.55 H new ATOM 0 HA VAL A 19 8.161 -19.579 1.668 1.00 44.12 H new ATOM 0 HB VAL A 19 6.376 -18.513 0.537 1.00 64.52 H new ATOM 0 HG11 VAL A 19 5.243 -16.426 1.276 1.00 22.11 H new ATOM 0 HG12 VAL A 19 4.824 -17.857 2.248 1.00 22.11 H new ATOM 0 HG13 VAL A 19 5.964 -16.649 2.888 1.00 22.11 H new ATOM 0 HG21 VAL A 19 7.292 -16.209 0.197 1.00 75.13 H new ATOM 0 HG22 VAL A 19 8.285 -16.435 1.656 1.00 75.13 H new ATOM 0 HG23 VAL A 19 8.544 -17.473 0.234 1.00 75.13 H new ATOM 347 N SER A 20 9.608 -18.661 3.502 1.00 43.41 N ATOM 348 CA SER A 20 10.466 -18.173 4.592 1.00 22.30 C ATOM 349 C SER A 20 10.774 -16.667 4.356 1.00 32.02 C ATOM 350 O SER A 20 10.643 -16.217 3.215 1.00 44.03 O ATOM 351 CB SER A 20 11.749 -19.049 4.611 1.00 22.14 C ATOM 352 OG SER A 20 11.391 -20.418 4.514 1.00 25.14 O ATOM 0 H SER A 20 10.109 -19.161 2.768 1.00 43.41 H new ATOM 0 HA SER A 20 9.980 -18.253 5.564 1.00 22.30 H new ATOM 0 HB2 SER A 20 12.402 -18.774 3.783 1.00 22.14 H new ATOM 0 HB3 SER A 20 12.308 -18.873 5.530 1.00 22.14 H new ATOM 0 HG SER A 20 12.201 -20.969 4.524 1.00 25.14 H new ATOM 358 N SER A 21 11.126 -15.881 5.428 1.00 41.45 N ATOM 359 CA SER A 21 11.433 -14.444 5.323 1.00 30.32 C ATOM 360 C SER A 21 12.433 -14.048 4.208 1.00 50.43 C ATOM 361 O SER A 21 12.252 -12.988 3.608 1.00 4.34 O ATOM 362 CB SER A 21 11.927 -13.932 6.686 1.00 34.12 C ATOM 363 OG SER A 21 12.889 -14.814 7.249 1.00 24.22 O ATOM 0 H SER A 21 11.199 -16.243 6.379 1.00 41.45 H new ATOM 0 HA SER A 21 10.498 -13.967 5.029 1.00 30.32 H new ATOM 0 HB2 SER A 21 12.364 -12.940 6.568 1.00 34.12 H new ATOM 0 HB3 SER A 21 11.082 -13.829 7.367 1.00 34.12 H new ATOM 0 HG SER A 21 13.187 -14.464 8.114 1.00 24.22 H new ATOM 369 N ARG A 22 13.480 -14.865 3.938 1.00 1.10 N ATOM 370 CA ARG A 22 14.380 -14.597 2.772 1.00 61.13 C ATOM 371 C ARG A 22 13.621 -14.503 1.380 1.00 60.43 C ATOM 372 O ARG A 22 13.840 -13.536 0.617 1.00 52.43 O ATOM 373 CB ARG A 22 15.664 -15.538 2.730 1.00 34.44 C ATOM 374 CG ARG A 22 16.371 -15.684 1.375 1.00 62.13 C ATOM 375 CD ARG A 22 15.919 -16.913 0.585 1.00 31.30 C ATOM 376 NE ARG A 22 16.930 -17.979 0.598 1.00 62.14 N ATOM 377 CZ ARG A 22 18.080 -17.957 -0.100 1.00 30.41 C ATOM 378 NH1 ARG A 22 18.406 -16.917 -0.871 1.00 34.22 N ATOM 379 NH2 ARG A 22 18.900 -18.994 -0.025 1.00 44.34 N ATOM 0 H ARG A 22 13.724 -15.690 4.486 1.00 1.10 H new ATOM 0 HA ARG A 22 14.765 -13.593 2.947 1.00 61.13 H new ATOM 0 HB2 ARG A 22 16.387 -15.158 3.451 1.00 34.44 H new ATOM 0 HB3 ARG A 22 15.368 -16.531 3.068 1.00 34.44 H new ATOM 0 HG2 ARG A 22 16.187 -14.790 0.779 1.00 62.13 H new ATOM 0 HG3 ARG A 22 17.447 -15.742 1.539 1.00 62.13 H new ATOM 0 HD2 ARG A 22 14.988 -17.292 1.006 1.00 31.30 H new ATOM 0 HD3 ARG A 22 15.710 -16.625 -0.445 1.00 31.30 H new ATOM 0 HE ARG A 22 16.746 -18.797 1.180 1.00 62.14 H new ATOM 0 HH11 ARG A 22 17.778 -16.117 -0.940 1.00 34.22 H new ATOM 0 HH12 ARG A 22 19.283 -16.923 -1.391 1.00 34.22 H new ATOM 0 HH21 ARG A 22 18.656 -19.796 0.557 1.00 44.34 H new ATOM 0 HH22 ARG A 22 19.775 -18.991 -0.549 1.00 44.34 H new ATOM 393 N ASP A 23 12.715 -15.473 1.068 1.00 42.41 N ATOM 394 CA ASP A 23 11.948 -15.510 -0.216 1.00 75.44 C ATOM 395 C ASP A 23 11.024 -14.282 -0.381 1.00 12.31 C ATOM 396 O ASP A 23 11.071 -13.593 -1.442 1.00 74.45 O ATOM 397 CB ASP A 23 11.106 -16.812 -0.327 1.00 12.41 C ATOM 398 CG ASP A 23 11.928 -18.059 -0.048 1.00 14.11 C ATOM 399 OD1 ASP A 23 12.696 -18.473 -0.938 1.00 30.14 O ATOM 400 OD2 ASP A 23 11.821 -18.609 1.074 1.00 14.33 O ATOM 0 H ASP A 23 12.495 -16.248 1.694 1.00 42.41 H new ATOM 0 HA ASP A 23 12.687 -15.488 -1.017 1.00 75.44 H new ATOM 0 HB2 ASP A 23 10.274 -16.764 0.375 1.00 12.41 H new ATOM 0 HB3 ASP A 23 10.676 -16.879 -1.326 1.00 12.41 H new ATOM 405 N VAL A 24 10.194 -14.000 0.674 1.00 51.02 N ATOM 406 CA VAL A 24 9.340 -12.817 0.687 1.00 24.05 C ATOM 407 C VAL A 24 10.149 -11.537 0.588 1.00 74.55 C ATOM 408 O VAL A 24 9.813 -10.706 -0.213 1.00 2.15 O ATOM 409 CB VAL A 24 8.324 -12.727 1.864 1.00 2.32 C ATOM 410 CG1 VAL A 24 7.023 -13.390 1.517 1.00 15.15 C ATOM 411 CG2 VAL A 24 8.814 -13.328 3.144 1.00 13.22 C ATOM 0 H VAL A 24 10.116 -14.584 1.507 1.00 51.02 H new ATOM 0 HA VAL A 24 8.728 -12.936 -0.207 1.00 24.05 H new ATOM 0 HB VAL A 24 8.190 -11.657 2.020 1.00 2.32 H new ATOM 0 HG11 VAL A 24 6.337 -13.309 2.360 1.00 15.15 H new ATOM 0 HG12 VAL A 24 6.587 -12.901 0.646 1.00 15.15 H new ATOM 0 HG13 VAL A 24 7.199 -14.442 1.293 1.00 15.15 H new ATOM 0 HG21 VAL A 24 8.047 -13.224 3.912 1.00 13.22 H new ATOM 0 HG22 VAL A 24 9.032 -14.385 2.990 1.00 13.22 H new ATOM 0 HG23 VAL A 24 9.720 -12.814 3.464 1.00 13.22 H new ATOM 421 N GLU A 25 11.224 -11.384 1.346 1.00 32.44 N ATOM 422 CA GLU A 25 12.118 -10.240 1.120 1.00 71.42 C ATOM 423 C GLU A 25 12.569 -10.135 -0.368 1.00 41.44 C ATOM 424 O GLU A 25 12.296 -9.104 -0.923 1.00 34.33 O ATOM 425 CB GLU A 25 13.266 -10.127 2.198 1.00 12.23 C ATOM 426 CG GLU A 25 14.478 -9.177 1.935 1.00 25.13 C ATOM 427 CD GLU A 25 15.552 -9.766 1.025 1.00 60.51 C ATOM 428 OE1 GLU A 25 16.307 -10.644 1.496 1.00 41.20 O ATOM 429 OE2 GLU A 25 15.639 -9.352 -0.153 1.00 71.21 O ATOM 0 H GLU A 25 11.500 -12.011 2.102 1.00 32.44 H new ATOM 0 HA GLU A 25 11.539 -9.332 1.288 1.00 71.42 H new ATOM 0 HB2 GLU A 25 12.804 -9.816 3.135 1.00 12.23 H new ATOM 0 HB3 GLU A 25 13.665 -11.129 2.357 1.00 12.23 H new ATOM 0 HG2 GLU A 25 14.110 -8.252 1.491 1.00 25.13 H new ATOM 0 HG3 GLU A 25 14.932 -8.914 2.890 1.00 25.13 H new ATOM 436 N ASN A 26 13.106 -11.165 -1.090 1.00 32.20 N ATOM 437 CA ASN A 26 13.512 -10.872 -2.507 1.00 45.55 C ATOM 438 C ASN A 26 12.289 -10.667 -3.505 1.00 21.13 C ATOM 439 O ASN A 26 12.028 -9.484 -3.991 1.00 44.51 O ATOM 440 CB ASN A 26 14.478 -11.963 -3.079 1.00 70.11 C ATOM 441 CG ASN A 26 15.057 -11.589 -4.432 1.00 3.13 C ATOM 442 OD1 ASN A 26 14.490 -11.908 -5.474 1.00 72.41 O ATOM 443 ND2 ASN A 26 16.196 -10.915 -4.427 1.00 31.15 N ATOM 0 H ASN A 26 13.259 -12.118 -0.760 1.00 32.20 H new ATOM 0 HA ASN A 26 14.038 -9.919 -2.445 1.00 45.55 H new ATOM 0 HB2 ASN A 26 15.293 -12.126 -2.373 1.00 70.11 H new ATOM 0 HB3 ASN A 26 13.940 -12.907 -3.168 1.00 70.11 H new ATOM 0 HD21 ASN A 26 16.632 -10.643 -5.308 1.00 31.15 H new ATOM 0 HD22 ASN A 26 16.638 -10.667 -3.542 1.00 31.15 H new ATOM 450 N GLU A 27 11.432 -11.714 -3.725 1.00 71.42 N ATOM 451 CA GLU A 27 10.378 -11.567 -4.752 1.00 20.41 C ATOM 452 C GLU A 27 9.248 -10.619 -4.294 1.00 4.33 C ATOM 453 O GLU A 27 8.658 -9.929 -5.137 1.00 33.11 O ATOM 454 CB GLU A 27 9.811 -12.942 -5.208 1.00 52.42 C ATOM 455 CG GLU A 27 9.061 -12.955 -6.564 1.00 61.02 C ATOM 456 CD GLU A 27 8.467 -14.317 -6.872 1.00 13.33 C ATOM 457 OE1 GLU A 27 7.323 -14.584 -6.428 1.00 2.43 O ATOM 458 OE2 GLU A 27 9.141 -15.126 -7.551 1.00 32.42 O ATOM 0 H GLU A 27 11.453 -12.608 -3.235 1.00 71.42 H new ATOM 0 HA GLU A 27 10.854 -11.108 -5.619 1.00 20.41 H new ATOM 0 HB2 GLU A 27 10.637 -13.651 -5.266 1.00 52.42 H new ATOM 0 HB3 GLU A 27 9.132 -13.306 -4.437 1.00 52.42 H new ATOM 0 HG2 GLU A 27 8.267 -12.209 -6.546 1.00 61.02 H new ATOM 0 HG3 GLU A 27 9.748 -12.670 -7.361 1.00 61.02 H new ATOM 465 N PHE A 28 8.959 -10.524 -2.978 1.00 53.42 N ATOM 466 CA PHE A 28 7.937 -9.585 -2.515 1.00 40.45 C ATOM 467 C PHE A 28 8.489 -8.155 -2.322 1.00 52.23 C ATOM 468 O PHE A 28 7.695 -7.218 -2.449 1.00 13.51 O ATOM 469 CB PHE A 28 7.271 -10.026 -1.228 1.00 40.30 C ATOM 470 CG PHE A 28 5.980 -10.836 -1.286 1.00 25.03 C ATOM 471 CD1 PHE A 28 5.955 -12.202 -1.606 1.00 74.03 C ATOM 472 CD2 PHE A 28 4.784 -10.238 -0.917 1.00 4.43 C ATOM 473 CE1 PHE A 28 4.772 -12.915 -1.556 1.00 32.13 C ATOM 474 CE2 PHE A 28 3.600 -10.949 -0.879 1.00 74.54 C ATOM 475 CZ PHE A 28 3.598 -12.292 -1.193 1.00 72.43 C ATOM 0 H PHE A 28 9.408 -11.072 -2.244 1.00 53.42 H new ATOM 0 HA PHE A 28 7.192 -9.576 -3.311 1.00 40.45 H new ATOM 0 HB2 PHE A 28 7.999 -10.613 -0.669 1.00 40.30 H new ATOM 0 HB3 PHE A 28 7.067 -9.129 -0.643 1.00 40.30 H new ATOM 0 HD1 PHE A 28 6.869 -12.701 -1.894 1.00 74.03 H new ATOM 0 HD2 PHE A 28 4.778 -9.191 -0.653 1.00 4.43 H new ATOM 0 HE1 PHE A 28 4.768 -13.966 -1.803 1.00 32.13 H new ATOM 0 HE2 PHE A 28 2.680 -10.455 -0.604 1.00 74.54 H new ATOM 0 HZ PHE A 28 2.677 -12.855 -1.154 1.00 72.43 H new ATOM 485 N ARG A 29 9.798 -7.947 -1.931 1.00 70.40 N ATOM 486 CA ARG A 29 10.391 -6.570 -2.095 1.00 21.41 C ATOM 487 C ARG A 29 10.228 -5.971 -3.508 1.00 3.12 C ATOM 488 O ARG A 29 10.221 -4.729 -3.584 1.00 52.24 O ATOM 489 CB ARG A 29 11.885 -6.364 -1.687 1.00 60.30 C ATOM 490 CG ARG A 29 12.920 -6.475 -2.828 1.00 33.31 C ATOM 491 CD ARG A 29 14.175 -5.674 -2.541 1.00 12.01 C ATOM 492 NE ARG A 29 14.821 -5.290 -3.780 1.00 31.34 N ATOM 493 CZ ARG A 29 14.429 -4.254 -4.528 1.00 2.42 C ATOM 494 NH1 ARG A 29 13.407 -3.487 -4.162 1.00 11.20 N ATOM 495 NH2 ARG A 29 15.081 -3.975 -5.644 1.00 11.53 N ATOM 0 H ARG A 29 10.417 -8.653 -1.532 1.00 70.40 H new ATOM 0 HA ARG A 29 9.778 -6.043 -1.364 1.00 21.41 H new ATOM 0 HB2 ARG A 29 11.983 -5.380 -1.228 1.00 60.30 H new ATOM 0 HB3 ARG A 29 12.137 -7.099 -0.922 1.00 60.30 H new ATOM 0 HG2 ARG A 29 13.185 -7.522 -2.976 1.00 33.31 H new ATOM 0 HG3 ARG A 29 12.472 -6.125 -3.758 1.00 33.31 H new ATOM 0 HD2 ARG A 29 13.923 -4.785 -1.964 1.00 12.01 H new ATOM 0 HD3 ARG A 29 14.861 -6.265 -1.933 1.00 12.01 H new ATOM 0 HE ARG A 29 15.618 -5.840 -4.099 1.00 31.34 H new ATOM 0 HH11 ARG A 29 12.906 -3.684 -3.296 1.00 11.20 H new ATOM 0 HH12 ARG A 29 13.124 -2.701 -4.747 1.00 11.20 H new ATOM 0 HH21 ARG A 29 15.876 -4.548 -5.927 1.00 11.53 H new ATOM 0 HH22 ARG A 29 14.789 -3.186 -6.222 1.00 11.53 H new ATOM 509 N LYS A 30 10.160 -6.752 -4.640 1.00 32.55 N ATOM 510 CA LYS A 30 9.642 -6.040 -5.872 1.00 54.05 C ATOM 511 C LYS A 30 8.264 -5.362 -5.652 1.00 34.54 C ATOM 512 O LYS A 30 8.124 -4.166 -5.958 1.00 10.11 O ATOM 513 CB LYS A 30 9.643 -6.920 -7.188 1.00 63.21 C ATOM 514 CG LYS A 30 8.325 -7.002 -8.065 1.00 33.21 C ATOM 515 CD LYS A 30 7.860 -5.666 -8.716 1.00 4.43 C ATOM 516 CE LYS A 30 6.328 -5.581 -8.842 1.00 54.03 C ATOM 517 NZ LYS A 30 5.808 -6.494 -9.871 1.00 53.43 N ATOM 0 H LYS A 30 10.416 -7.735 -4.733 1.00 32.55 H new ATOM 0 HA LYS A 30 10.374 -5.250 -6.039 1.00 54.05 H new ATOM 0 HB2 LYS A 30 10.442 -6.549 -7.830 1.00 63.21 H new ATOM 0 HB3 LYS A 30 9.911 -7.937 -6.902 1.00 63.21 H new ATOM 0 HG2 LYS A 30 8.483 -7.734 -8.857 1.00 33.21 H new ATOM 0 HG3 LYS A 30 7.517 -7.379 -7.438 1.00 33.21 H new ATOM 0 HD2 LYS A 30 8.220 -4.828 -8.119 1.00 4.43 H new ATOM 0 HD3 LYS A 30 8.310 -5.570 -9.704 1.00 4.43 H new ATOM 0 HE2 LYS A 30 5.872 -5.820 -7.881 1.00 54.03 H new ATOM 0 HE3 LYS A 30 6.041 -4.558 -9.086 1.00 54.03 H new ATOM 0 HZ1 LYS A 30 5.212 -5.963 -10.537 1.00 53.43 H new ATOM 0 HZ2 LYS A 30 6.602 -6.926 -10.385 1.00 53.43 H new ATOM 0 HZ3 LYS A 30 5.242 -7.240 -9.419 1.00 53.43 H new ATOM 531 N TYR A 31 7.293 -6.052 -5.084 1.00 32.31 N ATOM 532 CA TYR A 31 5.934 -5.513 -5.063 1.00 24.22 C ATOM 533 C TYR A 31 5.741 -4.451 -3.932 1.00 11.43 C ATOM 534 O TYR A 31 5.114 -3.436 -4.185 1.00 40.14 O ATOM 535 CB TYR A 31 4.890 -6.640 -4.931 1.00 5.15 C ATOM 536 CG TYR A 31 4.884 -7.772 -5.988 1.00 74.34 C ATOM 537 CD1 TYR A 31 4.164 -7.677 -7.190 1.00 45.31 C ATOM 538 CD2 TYR A 31 5.555 -8.971 -5.753 1.00 35.21 C ATOM 539 CE1 TYR A 31 4.141 -8.733 -8.111 1.00 75.55 C ATOM 540 CE2 TYR A 31 5.540 -10.012 -6.659 1.00 1.43 C ATOM 541 CZ TYR A 31 4.829 -9.890 -7.829 1.00 20.11 C ATOM 542 OH TYR A 31 4.820 -10.926 -8.728 1.00 12.10 O ATOM 0 H TYR A 31 7.407 -6.963 -4.640 1.00 32.31 H new ATOM 0 HA TYR A 31 5.779 -5.009 -6.017 1.00 24.22 H new ATOM 0 HB2 TYR A 31 5.023 -7.101 -3.952 1.00 5.15 H new ATOM 0 HB3 TYR A 31 3.902 -6.179 -4.934 1.00 5.15 H new ATOM 0 HD1 TYR A 31 3.617 -6.772 -7.409 1.00 45.31 H new ATOM 0 HD2 TYR A 31 6.105 -9.089 -4.831 1.00 35.21 H new ATOM 0 HE1 TYR A 31 3.588 -8.639 -9.034 1.00 75.55 H new ATOM 0 HE2 TYR A 31 6.086 -10.920 -6.449 1.00 1.43 H new ATOM 0 HH TYR A 31 5.355 -11.668 -8.377 1.00 12.10 H new ATOM 552 N GLY A 32 6.298 -4.645 -2.710 1.00 64.32 N ATOM 553 CA GLY A 32 6.349 -3.552 -1.751 1.00 61.41 C ATOM 554 C GLY A 32 7.677 -3.475 -1.044 1.00 0.33 C ATOM 555 O GLY A 32 8.361 -4.483 -0.912 1.00 24.05 O ATOM 0 H GLY A 32 6.702 -5.524 -2.388 1.00 64.32 H new ATOM 0 HA2 GLY A 32 6.159 -2.610 -2.266 1.00 61.41 H new ATOM 0 HA3 GLY A 32 5.555 -3.679 -1.015 1.00 61.41 H new ATOM 559 N ASN A 33 8.018 -2.291 -0.523 1.00 35.54 N ATOM 560 CA ASN A 33 9.366 -2.073 0.003 1.00 63.01 C ATOM 561 C ASN A 33 9.426 -2.577 1.451 1.00 23.51 C ATOM 562 O ASN A 33 8.801 -1.981 2.337 1.00 14.24 O ATOM 563 CB ASN A 33 9.773 -0.590 -0.026 1.00 74.40 C ATOM 564 CG ASN A 33 11.224 -0.359 -0.408 1.00 20.11 C ATOM 565 OD1 ASN A 33 12.083 -1.223 -0.220 1.00 2.03 O ATOM 566 ND2 ASN A 33 11.505 0.829 -0.926 1.00 3.03 N ATOM 0 H ASN A 33 7.394 -1.487 -0.456 1.00 35.54 H new ATOM 0 HA ASN A 33 10.061 -2.621 -0.633 1.00 63.01 H new ATOM 0 HB2 ASN A 33 9.133 -0.061 -0.732 1.00 74.40 H new ATOM 0 HB3 ASN A 33 9.592 -0.154 0.957 1.00 74.40 H new ATOM 0 HD21 ASN A 33 12.464 1.058 -1.186 1.00 3.03 H new ATOM 0 HD22 ASN A 33 10.762 1.514 -1.064 1.00 3.03 H new ATOM 573 N ILE A 34 10.148 -3.682 1.679 1.00 35.34 N ATOM 574 CA ILE A 34 10.221 -4.305 3.032 1.00 54.41 C ATOM 575 C ILE A 34 11.063 -3.477 4.052 1.00 63.33 C ATOM 576 O ILE A 34 12.236 -3.164 3.807 1.00 12.13 O ATOM 577 CB ILE A 34 10.649 -5.841 2.964 1.00 63.33 C ATOM 578 CG1 ILE A 34 11.209 -6.408 4.309 1.00 11.34 C ATOM 579 CG2 ILE A 34 11.597 -6.122 1.798 1.00 22.44 C ATOM 580 CD1 ILE A 34 12.729 -6.389 4.481 1.00 33.51 C ATOM 0 H ILE A 34 10.688 -4.167 0.962 1.00 35.34 H new ATOM 0 HA ILE A 34 9.206 -4.286 3.428 1.00 54.41 H new ATOM 0 HB ILE A 34 9.722 -6.384 2.781 1.00 63.33 H new ATOM 0 HG12 ILE A 34 10.766 -5.841 5.128 1.00 11.34 H new ATOM 0 HG13 ILE A 34 10.867 -7.438 4.413 1.00 11.34 H new ATOM 0 HG21 ILE A 34 11.862 -7.179 1.791 1.00 22.44 H new ATOM 0 HG22 ILE A 34 11.106 -5.865 0.860 1.00 22.44 H new ATOM 0 HG23 ILE A 34 12.500 -5.523 1.911 1.00 22.44 H new ATOM 0 HD11 ILE A 34 12.990 -6.808 5.453 1.00 33.51 H new ATOM 0 HD12 ILE A 34 13.192 -6.984 3.693 1.00 33.51 H new ATOM 0 HD13 ILE A 34 13.089 -5.362 4.420 1.00 33.51 H new ATOM 592 N LEU A 35 10.417 -3.074 5.180 1.00 54.40 N ATOM 593 CA LEU A 35 11.153 -2.459 6.315 1.00 23.54 C ATOM 594 C LEU A 35 11.296 -3.506 7.446 1.00 53.12 C ATOM 595 O LEU A 35 12.137 -3.356 8.335 1.00 31.11 O ATOM 596 CB LEU A 35 10.556 -1.095 6.867 1.00 34.25 C ATOM 597 CG LEU A 35 9.707 -0.220 5.908 1.00 23.44 C ATOM 598 CD1 LEU A 35 8.502 0.357 6.658 1.00 43.24 C ATOM 599 CD2 LEU A 35 10.520 0.945 5.309 1.00 2.24 C ATOM 0 H LEU A 35 9.411 -3.162 5.325 1.00 54.40 H new ATOM 0 HA LEU A 35 12.127 -2.170 5.922 1.00 23.54 H new ATOM 0 HB2 LEU A 35 9.940 -1.329 7.735 1.00 34.25 H new ATOM 0 HB3 LEU A 35 11.389 -0.487 7.221 1.00 34.25 H new ATOM 0 HG LEU A 35 9.380 -0.865 5.092 1.00 23.44 H new ATOM 0 HD11 LEU A 35 7.910 0.970 5.979 1.00 43.24 H new ATOM 0 HD12 LEU A 35 7.887 -0.458 7.040 1.00 43.24 H new ATOM 0 HD13 LEU A 35 8.850 0.970 7.490 1.00 43.24 H new ATOM 0 HD21 LEU A 35 9.883 1.529 4.644 1.00 2.24 H new ATOM 0 HD22 LEU A 35 10.888 1.583 6.113 1.00 2.24 H new ATOM 0 HD23 LEU A 35 11.364 0.548 4.746 1.00 2.24 H new ATOM 611 N LYS A 36 10.465 -4.574 7.395 1.00 63.14 N ATOM 612 CA LYS A 36 10.262 -5.495 8.540 1.00 74.40 C ATOM 613 C LYS A 36 9.770 -6.865 8.007 1.00 12.02 C ATOM 614 O LYS A 36 8.817 -6.889 7.217 1.00 21.42 O ATOM 615 CB LYS A 36 9.190 -4.881 9.456 1.00 62.03 C ATOM 616 CG LYS A 36 9.354 -5.105 10.956 1.00 32.43 C ATOM 617 CD LYS A 36 8.670 -6.379 11.421 1.00 42.54 C ATOM 618 CE LYS A 36 8.399 -6.355 12.916 1.00 71.54 C ATOM 619 NZ LYS A 36 7.539 -5.206 13.312 1.00 55.43 N ATOM 0 H LYS A 36 9.921 -4.820 6.568 1.00 63.14 H new ATOM 0 HA LYS A 36 11.191 -5.639 9.091 1.00 74.40 H new ATOM 0 HB2 LYS A 36 9.163 -3.807 9.274 1.00 62.03 H new ATOM 0 HB3 LYS A 36 8.220 -5.279 9.157 1.00 62.03 H new ATOM 0 HG2 LYS A 36 10.415 -5.153 11.201 1.00 32.43 H new ATOM 0 HG3 LYS A 36 8.940 -4.254 11.497 1.00 32.43 H new ATOM 0 HD2 LYS A 36 7.731 -6.506 10.882 1.00 42.54 H new ATOM 0 HD3 LYS A 36 9.295 -7.238 11.178 1.00 42.54 H new ATOM 0 HE2 LYS A 36 7.917 -7.287 13.211 1.00 71.54 H new ATOM 0 HE3 LYS A 36 9.345 -6.301 13.454 1.00 71.54 H new ATOM 0 HZ1 LYS A 36 8.095 -4.536 13.881 1.00 55.43 H new ATOM 0 HZ2 LYS A 36 7.186 -4.727 12.459 1.00 55.43 H new ATOM 0 HZ3 LYS A 36 6.734 -5.552 13.873 1.00 55.43 H new ATOM 633 N CYS A 37 10.408 -8.002 8.400 1.00 32.31 N ATOM 634 CA CYS A 37 9.909 -9.332 8.032 1.00 43.25 C ATOM 635 C CYS A 37 10.136 -10.283 9.194 1.00 61.15 C ATOM 636 O CYS A 37 11.279 -10.645 9.492 1.00 15.04 O ATOM 637 CB CYS A 37 10.606 -9.851 6.757 1.00 73.11 C ATOM 638 SG CYS A 37 12.362 -9.429 6.634 1.00 44.35 S ATOM 0 H CYS A 37 11.258 -8.012 8.964 1.00 32.31 H new ATOM 0 HA CYS A 37 8.842 -9.268 7.817 1.00 43.25 H new ATOM 0 HB2 CYS A 37 10.503 -10.935 6.718 1.00 73.11 H new ATOM 0 HB3 CYS A 37 10.087 -9.450 5.886 1.00 73.11 H new ATOM 0 HG CYS A 37 12.849 -9.914 5.530 1.00 44.35 H new ATOM 644 N ASP A 38 9.069 -10.667 9.876 1.00 2.50 N ATOM 645 CA ASP A 38 9.250 -11.628 10.995 1.00 44.11 C ATOM 646 C ASP A 38 8.522 -12.957 10.736 1.00 11.24 C ATOM 647 O ASP A 38 7.463 -12.973 10.102 1.00 44.25 O ATOM 648 CB ASP A 38 8.798 -11.023 12.327 1.00 20.52 C ATOM 649 CG ASP A 38 9.557 -11.606 13.507 1.00 42.52 C ATOM 650 OD1 ASP A 38 10.639 -11.071 13.837 1.00 30.14 O ATOM 651 OD2 ASP A 38 9.072 -12.592 14.100 1.00 24.53 O ATOM 0 H ASP A 38 8.112 -10.359 9.703 1.00 2.50 H new ATOM 0 HA ASP A 38 10.317 -11.840 11.057 1.00 44.11 H new ATOM 0 HB2 ASP A 38 8.943 -9.943 12.302 1.00 20.52 H new ATOM 0 HB3 ASP A 38 7.731 -11.199 12.461 1.00 20.52 H new ATOM 656 N VAL A 39 9.097 -14.071 11.227 1.00 74.34 N ATOM 657 CA VAL A 39 8.466 -15.395 11.087 1.00 54.30 C ATOM 658 C VAL A 39 7.961 -15.838 12.470 1.00 65.43 C ATOM 659 O VAL A 39 8.758 -15.957 13.404 1.00 20.42 O ATOM 660 CB VAL A 39 9.436 -16.558 10.511 1.00 3.15 C ATOM 661 CG1 VAL A 39 8.848 -17.961 10.670 1.00 62.23 C ATOM 662 CG2 VAL A 39 9.834 -16.426 9.032 1.00 11.12 C ATOM 0 H VAL A 39 9.990 -14.080 11.720 1.00 74.34 H new ATOM 0 HA VAL A 39 7.667 -15.272 10.356 1.00 54.30 H new ATOM 0 HB VAL A 39 10.324 -16.419 11.127 1.00 3.15 H new ATOM 0 HG11 VAL A 39 9.544 -18.695 10.265 1.00 62.23 H new ATOM 0 HG12 VAL A 39 8.677 -18.166 11.727 1.00 62.23 H new ATOM 0 HG13 VAL A 39 7.902 -18.022 10.131 1.00 62.23 H new ATOM 0 HG21 VAL A 39 10.483 -17.257 8.754 1.00 11.12 H new ATOM 0 HG22 VAL A 39 8.938 -16.442 8.411 1.00 11.12 H new ATOM 0 HG23 VAL A 39 10.364 -15.485 8.880 1.00 11.12 H new ATOM 672 N LYS A 40 6.649 -16.103 12.608 1.00 34.01 N ATOM 673 CA LYS A 40 6.088 -16.448 13.913 1.00 2.23 C ATOM 674 C LYS A 40 5.444 -17.847 13.833 1.00 2.32 C ATOM 675 O LYS A 40 4.689 -18.101 12.887 1.00 60.21 O ATOM 676 CB LYS A 40 5.098 -15.304 14.312 1.00 24.41 C ATOM 677 CG LYS A 40 5.752 -13.924 14.328 1.00 14.23 C ATOM 678 CD LYS A 40 5.075 -12.967 15.318 1.00 61.32 C ATOM 679 CE LYS A 40 3.712 -12.449 14.860 1.00 61.31 C ATOM 680 NZ LYS A 40 3.055 -11.644 15.928 1.00 71.32 N ATOM 0 H LYS A 40 5.974 -16.084 11.843 1.00 34.01 H new ATOM 0 HA LYS A 40 6.844 -16.516 14.695 1.00 2.23 H new ATOM 0 HB2 LYS A 40 4.262 -15.295 13.613 1.00 24.41 H new ATOM 0 HB3 LYS A 40 4.686 -15.516 15.299 1.00 24.41 H new ATOM 0 HG2 LYS A 40 6.805 -14.027 14.589 1.00 14.23 H new ATOM 0 HG3 LYS A 40 5.712 -13.495 13.327 1.00 14.23 H new ATOM 0 HD2 LYS A 40 4.954 -13.477 16.274 1.00 61.32 H new ATOM 0 HD3 LYS A 40 5.734 -12.116 15.492 1.00 61.32 H new ATOM 0 HE2 LYS A 40 3.834 -11.840 13.965 1.00 61.31 H new ATOM 0 HE3 LYS A 40 3.073 -13.289 14.589 1.00 61.31 H new ATOM 0 HZ1 LYS A 40 2.132 -11.305 15.589 1.00 71.32 H new ATOM 0 HZ2 LYS A 40 2.918 -12.234 16.773 1.00 71.32 H new ATOM 0 HZ3 LYS A 40 3.656 -10.830 16.168 1.00 71.32 H new ATOM 694 N LYS A 41 5.737 -18.789 14.786 1.00 51.23 N ATOM 695 CA LYS A 41 5.379 -20.186 14.503 1.00 3.11 C ATOM 696 C LYS A 41 4.445 -20.739 15.568 1.00 5.25 C ATOM 697 O LYS A 41 4.765 -20.617 16.746 1.00 55.20 O ATOM 698 CB LYS A 41 6.653 -21.102 14.376 1.00 22.23 C ATOM 699 CG LYS A 41 6.556 -22.282 13.405 1.00 63.13 C ATOM 700 CD LYS A 41 5.773 -21.921 12.165 1.00 13.22 C ATOM 701 CE LYS A 41 6.392 -20.735 11.439 1.00 61.30 C ATOM 702 NZ LYS A 41 7.599 -21.125 10.656 1.00 10.25 N ATOM 0 H LYS A 41 6.186 -18.612 15.685 1.00 51.23 H new ATOM 0 HA LYS A 41 4.861 -20.192 13.544 1.00 3.11 H new ATOM 0 HB2 LYS A 41 7.492 -20.477 14.070 1.00 22.23 H new ATOM 0 HB3 LYS A 41 6.891 -21.494 15.365 1.00 22.23 H new ATOM 0 HG2 LYS A 41 7.558 -22.604 13.122 1.00 63.13 H new ATOM 0 HG3 LYS A 41 6.079 -23.126 13.904 1.00 63.13 H new ATOM 0 HD2 LYS A 41 5.735 -22.780 11.495 1.00 13.22 H new ATOM 0 HD3 LYS A 41 4.745 -21.685 12.439 1.00 13.22 H new ATOM 0 HE2 LYS A 41 5.653 -20.294 10.770 1.00 61.30 H new ATOM 0 HE3 LYS A 41 6.663 -19.968 12.164 1.00 61.30 H new ATOM 0 HZ1 LYS A 41 7.838 -20.366 9.986 1.00 10.25 H new ATOM 0 HZ2 LYS A 41 8.398 -21.280 11.304 1.00 10.25 H new ATOM 0 HZ3 LYS A 41 7.404 -22.001 10.131 1.00 10.25 H new ATOM 716 N THR A 42 3.289 -21.344 15.204 1.00 45.11 N ATOM 717 CA THR A 42 2.459 -21.902 16.239 1.00 71.42 C ATOM 718 C THR A 42 2.633 -23.436 16.374 1.00 62.13 C ATOM 719 O THR A 42 3.082 -24.103 15.438 1.00 14.22 O ATOM 720 CB THR A 42 0.945 -21.502 16.117 1.00 24.14 C ATOM 721 OG1 THR A 42 0.308 -21.654 17.395 1.00 14.34 O ATOM 722 CG2 THR A 42 0.156 -22.334 15.092 1.00 23.10 C ATOM 0 H THR A 42 2.944 -21.444 14.250 1.00 45.11 H new ATOM 0 HA THR A 42 2.817 -21.449 17.164 1.00 71.42 H new ATOM 0 HB THR A 42 0.937 -20.468 15.772 1.00 24.14 H new ATOM 0 HG1 THR A 42 -0.637 -21.403 17.322 1.00 14.34 H new ATOM 0 HG21 THR A 42 -0.880 -21.995 15.069 1.00 23.10 H new ATOM 0 HG22 THR A 42 0.600 -22.211 14.104 1.00 23.10 H new ATOM 0 HG23 THR A 42 0.187 -23.386 15.376 1.00 23.10 H new ATOM 730 N VAL A 43 2.253 -23.975 17.551 1.00 35.12 N ATOM 731 CA VAL A 43 2.344 -25.425 17.866 1.00 20.31 C ATOM 732 C VAL A 43 1.251 -26.263 17.130 1.00 75.14 C ATOM 733 O VAL A 43 1.304 -27.496 17.127 1.00 43.33 O ATOM 734 CB VAL A 43 2.291 -25.710 19.423 1.00 12.45 C ATOM 735 CG1 VAL A 43 2.986 -27.019 19.775 1.00 65.22 C ATOM 736 CG2 VAL A 43 2.899 -24.573 20.257 1.00 72.41 C ATOM 0 H VAL A 43 1.872 -23.418 18.316 1.00 35.12 H new ATOM 0 HA VAL A 43 3.320 -25.743 17.498 1.00 20.31 H new ATOM 0 HB VAL A 43 1.232 -25.783 19.673 1.00 12.45 H new ATOM 0 HG11 VAL A 43 2.930 -27.183 20.851 1.00 65.22 H new ATOM 0 HG12 VAL A 43 2.495 -27.843 19.257 1.00 65.22 H new ATOM 0 HG13 VAL A 43 4.031 -26.970 19.469 1.00 65.22 H new ATOM 0 HG21 VAL A 43 2.835 -24.824 21.316 1.00 72.41 H new ATOM 0 HG22 VAL A 43 3.944 -24.437 19.979 1.00 72.41 H new ATOM 0 HG23 VAL A 43 2.350 -23.650 20.069 1.00 72.41 H new ATOM 746 N SER A 44 0.288 -25.598 16.461 1.00 43.13 N ATOM 747 CA SER A 44 -0.792 -26.284 15.738 1.00 65.43 C ATOM 748 C SER A 44 -0.333 -26.668 14.308 1.00 35.11 C ATOM 749 O SER A 44 -1.132 -27.127 13.486 1.00 54.42 O ATOM 750 CB SER A 44 -2.051 -25.375 15.680 1.00 13.22 C ATOM 751 OG SER A 44 -3.220 -26.107 15.338 1.00 11.25 O ATOM 0 H SER A 44 0.240 -24.580 16.409 1.00 43.13 H new ATOM 0 HA SER A 44 -1.044 -27.201 16.271 1.00 65.43 H new ATOM 0 HB2 SER A 44 -2.195 -24.893 16.647 1.00 13.22 H new ATOM 0 HB3 SER A 44 -1.893 -24.582 14.949 1.00 13.22 H new ATOM 0 HG SER A 44 -3.020 -26.714 14.595 1.00 11.25 H new ATOM 757 N GLY A 45 0.968 -26.476 14.024 1.00 52.05 N ATOM 758 CA GLY A 45 1.533 -26.816 12.719 1.00 34.01 C ATOM 759 C GLY A 45 1.334 -25.761 11.626 1.00 4.43 C ATOM 760 O GLY A 45 1.885 -25.905 10.533 1.00 10.14 O ATOM 0 H GLY A 45 1.642 -26.087 14.684 1.00 52.05 H new ATOM 0 HA2 GLY A 45 2.602 -26.994 12.839 1.00 34.01 H new ATOM 0 HA3 GLY A 45 1.089 -27.753 12.382 1.00 34.01 H new ATOM 764 N ALA A 46 0.574 -24.699 11.908 1.00 74.44 N ATOM 765 CA ALA A 46 0.360 -23.629 10.935 1.00 23.03 C ATOM 766 C ALA A 46 1.499 -22.569 11.022 1.00 35.13 C ATOM 767 O ALA A 46 1.871 -22.132 12.113 1.00 52.44 O ATOM 768 CB ALA A 46 -1.043 -23.008 11.125 1.00 1.23 C ATOM 0 H ALA A 46 0.099 -24.559 12.800 1.00 74.44 H new ATOM 0 HA ALA A 46 0.396 -24.046 9.929 1.00 23.03 H new ATOM 0 HB1 ALA A 46 -1.191 -22.212 10.395 1.00 1.23 H new ATOM 0 HB2 ALA A 46 -1.803 -23.776 10.983 1.00 1.23 H new ATOM 0 HB3 ALA A 46 -1.126 -22.597 12.131 1.00 1.23 H new ATOM 774 N ALA A 47 2.065 -22.180 9.864 1.00 23.43 N ATOM 775 CA ALA A 47 3.134 -21.163 9.794 1.00 24.44 C ATOM 776 C ALA A 47 2.507 -19.876 9.265 1.00 22.00 C ATOM 777 O ALA A 47 1.633 -19.956 8.395 1.00 12.22 O ATOM 778 CB ALA A 47 4.282 -21.606 8.851 1.00 2.52 C ATOM 0 H ALA A 47 1.797 -22.558 8.955 1.00 23.43 H new ATOM 0 HA ALA A 47 3.564 -21.020 10.785 1.00 24.44 H new ATOM 0 HB1 ALA A 47 5.050 -20.833 8.825 1.00 2.52 H new ATOM 0 HB2 ALA A 47 4.716 -22.536 9.218 1.00 2.52 H new ATOM 0 HB3 ALA A 47 3.888 -21.761 7.846 1.00 2.52 H new ATOM 784 N PHE A 48 2.908 -18.695 9.758 1.00 71.21 N ATOM 785 CA PHE A 48 2.397 -17.455 9.183 1.00 35.45 C ATOM 786 C PHE A 48 3.604 -16.560 8.911 1.00 23.11 C ATOM 787 O PHE A 48 4.579 -16.615 9.679 1.00 22.03 O ATOM 788 CB PHE A 48 1.467 -16.728 10.202 1.00 11.13 C ATOM 789 CG PHE A 48 0.677 -17.652 11.071 1.00 53.31 C ATOM 790 CD1 PHE A 48 -0.453 -18.268 10.595 1.00 13.54 C ATOM 791 CD2 PHE A 48 1.098 -17.921 12.352 1.00 1.44 C ATOM 792 CE1 PHE A 48 -1.156 -19.138 11.374 1.00 44.21 C ATOM 793 CE2 PHE A 48 0.411 -18.787 13.148 1.00 15.54 C ATOM 794 CZ PHE A 48 -0.729 -19.409 12.665 1.00 55.13 C ATOM 0 H PHE A 48 3.564 -18.578 10.530 1.00 71.21 H new ATOM 0 HA PHE A 48 1.830 -17.666 8.277 1.00 35.45 H new ATOM 0 HB2 PHE A 48 2.074 -16.081 10.835 1.00 11.13 H new ATOM 0 HB3 PHE A 48 0.779 -16.084 9.655 1.00 11.13 H new ATOM 0 HD1 PHE A 48 -0.790 -18.061 9.590 1.00 13.54 H new ATOM 0 HD2 PHE A 48 1.986 -17.439 12.733 1.00 1.44 H new ATOM 0 HE1 PHE A 48 -2.044 -19.615 10.986 1.00 44.21 H new ATOM 0 HE2 PHE A 48 0.754 -18.988 14.152 1.00 15.54 H new ATOM 0 HZ PHE A 48 -1.280 -20.098 13.288 1.00 55.13 H new ATOM 804 N ALA A 49 3.584 -15.746 7.848 1.00 35.02 N ATOM 805 CA ALA A 49 4.662 -14.790 7.670 1.00 15.10 C ATOM 806 C ALA A 49 4.102 -13.364 7.704 1.00 1.00 C ATOM 807 O ALA A 49 2.991 -13.098 7.190 1.00 2.44 O ATOM 808 CB ALA A 49 5.520 -15.138 6.419 1.00 42.42 C ATOM 0 H ALA A 49 2.860 -15.734 7.129 1.00 35.02 H new ATOM 0 HA ALA A 49 5.364 -14.851 8.501 1.00 15.10 H new ATOM 0 HB1 ALA A 49 6.320 -14.405 6.311 1.00 42.42 H new ATOM 0 HB2 ALA A 49 5.952 -16.131 6.539 1.00 42.42 H new ATOM 0 HB3 ALA A 49 4.890 -15.122 5.530 1.00 42.42 H new ATOM 814 N PHE A 50 4.854 -12.482 8.402 1.00 72.45 N ATOM 815 CA PHE A 50 4.420 -11.154 8.741 1.00 62.14 C ATOM 816 C PHE A 50 5.349 -10.135 8.051 1.00 13.32 C ATOM 817 O PHE A 50 6.573 -10.137 8.314 1.00 61.24 O ATOM 818 CB PHE A 50 4.495 -11.004 10.273 1.00 25.25 C ATOM 819 CG PHE A 50 3.687 -9.848 10.792 1.00 32.34 C ATOM 820 CD1 PHE A 50 2.324 -9.992 11.004 1.00 23.21 C ATOM 821 CD2 PHE A 50 4.277 -8.622 11.055 1.00 2.44 C ATOM 822 CE1 PHE A 50 1.566 -8.936 11.466 1.00 2.21 C ATOM 823 CE2 PHE A 50 3.524 -7.565 11.519 1.00 3.24 C ATOM 824 CZ PHE A 50 2.168 -7.721 11.723 1.00 3.53 C ATOM 0 H PHE A 50 5.791 -12.700 8.740 1.00 72.45 H new ATOM 0 HA PHE A 50 3.398 -10.976 8.408 1.00 62.14 H new ATOM 0 HB2 PHE A 50 4.143 -11.924 10.740 1.00 25.25 H new ATOM 0 HB3 PHE A 50 5.536 -10.874 10.569 1.00 25.25 H new ATOM 0 HD1 PHE A 50 1.850 -10.942 10.805 1.00 23.21 H new ATOM 0 HD2 PHE A 50 5.337 -8.494 10.895 1.00 2.44 H new ATOM 0 HE1 PHE A 50 0.505 -9.060 11.626 1.00 2.21 H new ATOM 0 HE2 PHE A 50 3.995 -6.615 11.723 1.00 3.24 H new ATOM 0 HZ PHE A 50 1.578 -6.892 12.084 1.00 3.53 H new ATOM 834 N ILE A 51 4.779 -9.260 7.190 1.00 61.03 N ATOM 835 CA ILE A 51 5.613 -8.435 6.261 1.00 61.03 C ATOM 836 C ILE A 51 5.169 -6.974 6.295 1.00 50.51 C ATOM 837 O ILE A 51 4.065 -6.675 5.901 1.00 22.11 O ATOM 838 CB ILE A 51 5.550 -8.964 4.780 1.00 70.35 C ATOM 839 CG1 ILE A 51 4.593 -10.185 4.631 1.00 4.13 C ATOM 840 CG2 ILE A 51 6.959 -9.370 4.350 1.00 42.54 C ATOM 841 CD1 ILE A 51 4.136 -10.494 3.222 1.00 53.42 C ATOM 0 H ILE A 51 3.774 -9.103 7.113 1.00 61.03 H new ATOM 0 HA ILE A 51 6.644 -8.515 6.607 1.00 61.03 H new ATOM 0 HB ILE A 51 5.160 -8.166 4.149 1.00 70.35 H new ATOM 0 HG12 ILE A 51 5.094 -11.066 5.032 1.00 4.13 H new ATOM 0 HG13 ILE A 51 3.712 -10.010 5.249 1.00 4.13 H new ATOM 0 HG21 ILE A 51 6.934 -9.740 3.325 1.00 42.54 H new ATOM 0 HG22 ILE A 51 7.620 -8.506 4.408 1.00 42.54 H new ATOM 0 HG23 ILE A 51 7.329 -10.155 5.010 1.00 42.54 H new ATOM 0 HD11 ILE A 51 3.475 -11.361 3.236 1.00 53.42 H new ATOM 0 HD12 ILE A 51 3.600 -9.636 2.817 1.00 53.42 H new ATOM 0 HD13 ILE A 51 5.003 -10.708 2.597 1.00 53.42 H new ATOM 853 N GLU A 52 6.002 -6.066 6.807 1.00 4.24 N ATOM 854 CA GLU A 52 5.598 -4.643 6.881 1.00 1.21 C ATOM 855 C GLU A 52 6.272 -3.779 5.764 1.00 72.13 C ATOM 856 O GLU A 52 7.514 -3.626 5.743 1.00 31.33 O ATOM 857 CB GLU A 52 5.863 -4.031 8.275 1.00 12.42 C ATOM 858 CG GLU A 52 5.370 -4.879 9.452 1.00 55.43 C ATOM 859 CD GLU A 52 5.393 -4.153 10.793 1.00 65.31 C ATOM 860 OE1 GLU A 52 6.419 -3.533 11.133 1.00 64.35 O ATOM 861 OE2 GLU A 52 4.387 -4.229 11.527 1.00 63.11 O ATOM 0 H GLU A 52 6.934 -6.271 7.168 1.00 4.24 H new ATOM 0 HA GLU A 52 4.521 -4.628 6.711 1.00 1.21 H new ATOM 0 HB2 GLU A 52 6.935 -3.867 8.387 1.00 12.42 H new ATOM 0 HB3 GLU A 52 5.384 -3.053 8.324 1.00 12.42 H new ATOM 0 HG2 GLU A 52 4.352 -5.209 9.247 1.00 55.43 H new ATOM 0 HG3 GLU A 52 5.987 -5.775 9.525 1.00 55.43 H new ATOM 868 N PHE A 53 5.451 -3.261 4.808 1.00 24.25 N ATOM 869 CA PHE A 53 5.965 -2.491 3.641 1.00 54.04 C ATOM 870 C PHE A 53 5.638 -0.979 3.730 1.00 2.14 C ATOM 871 O PHE A 53 4.769 -0.591 4.516 1.00 10.31 O ATOM 872 CB PHE A 53 5.403 -3.055 2.313 1.00 4.24 C ATOM 873 CG PHE A 53 5.724 -4.514 2.014 1.00 31.02 C ATOM 874 CD1 PHE A 53 6.776 -5.173 2.626 1.00 12.32 C ATOM 875 CD2 PHE A 53 4.963 -5.228 1.097 1.00 33.15 C ATOM 876 CE1 PHE A 53 7.051 -6.490 2.348 1.00 61.23 C ATOM 877 CE2 PHE A 53 5.239 -6.543 0.827 1.00 22.31 C ATOM 878 CZ PHE A 53 6.280 -7.176 1.449 1.00 44.02 C ATOM 0 H PHE A 53 4.436 -3.362 4.823 1.00 24.25 H new ATOM 0 HA PHE A 53 7.049 -2.603 3.661 1.00 54.04 H new ATOM 0 HB2 PHE A 53 4.319 -2.937 2.322 1.00 4.24 H new ATOM 0 HB3 PHE A 53 5.783 -2.445 1.493 1.00 4.24 H new ATOM 0 HD1 PHE A 53 7.393 -4.642 3.336 1.00 12.32 H new ATOM 0 HD2 PHE A 53 4.143 -4.741 0.590 1.00 33.15 H new ATOM 0 HE1 PHE A 53 7.876 -6.984 2.839 1.00 61.23 H new ATOM 0 HE2 PHE A 53 4.630 -7.084 0.118 1.00 22.31 H new ATOM 0 HZ PHE A 53 6.493 -8.212 1.232 1.00 44.02 H new ATOM 888 N GLU A 54 6.327 -0.126 2.909 1.00 3.33 N ATOM 889 CA GLU A 54 5.970 1.340 2.860 1.00 44.14 C ATOM 890 C GLU A 54 4.731 1.636 2.007 1.00 72.33 C ATOM 891 O GLU A 54 3.904 2.458 2.409 1.00 11.10 O ATOM 892 CB GLU A 54 7.114 2.328 2.449 1.00 44.21 C ATOM 893 CG GLU A 54 7.460 2.414 0.940 1.00 51.10 C ATOM 894 CD GLU A 54 8.861 2.934 0.667 1.00 74.51 C ATOM 895 OE1 GLU A 54 9.506 3.468 1.593 1.00 63.14 O ATOM 896 OE2 GLU A 54 9.318 2.803 -0.488 1.00 64.31 O ATOM 0 H GLU A 54 7.096 -0.404 2.299 1.00 3.33 H new ATOM 0 HA GLU A 54 5.758 1.537 3.911 1.00 44.14 H new ATOM 0 HB2 GLU A 54 6.839 3.326 2.791 1.00 44.21 H new ATOM 0 HB3 GLU A 54 8.018 2.044 2.988 1.00 44.21 H new ATOM 0 HG2 GLU A 54 7.355 1.425 0.495 1.00 51.10 H new ATOM 0 HG3 GLU A 54 6.737 3.064 0.446 1.00 51.10 H new ATOM 903 N ASP A 55 4.560 0.971 0.865 1.00 53.43 N ATOM 904 CA ASP A 55 3.438 1.280 0.022 1.00 45.43 C ATOM 905 C ASP A 55 2.481 0.098 -0.008 1.00 13.30 C ATOM 906 O ASP A 55 2.853 -0.997 -0.452 1.00 43.44 O ATOM 907 CB ASP A 55 3.936 1.542 -1.399 1.00 72.24 C ATOM 908 CG ASP A 55 3.692 2.970 -1.812 1.00 64.11 C ATOM 909 OD1 ASP A 55 2.508 3.349 -1.920 1.00 33.32 O ATOM 910 OD2 ASP A 55 4.666 3.721 -1.976 1.00 3.15 O ATOM 0 H ASP A 55 5.175 0.234 0.520 1.00 53.43 H new ATOM 0 HA ASP A 55 2.926 2.160 0.411 1.00 45.43 H new ATOM 0 HB2 ASP A 55 5.002 1.321 -1.459 1.00 72.24 H new ATOM 0 HB3 ASP A 55 3.431 0.870 -2.093 1.00 72.24 H new ATOM 915 N ALA A 56 1.243 0.312 0.475 1.00 62.25 N ATOM 916 CA ALA A 56 0.221 -0.722 0.398 1.00 34.24 C ATOM 917 C ALA A 56 -0.408 -0.922 -1.011 1.00 52.20 C ATOM 918 O ALA A 56 -0.872 -2.032 -1.280 1.00 12.11 O ATOM 919 CB ALA A 56 -0.829 -0.538 1.502 1.00 72.34 C ATOM 0 H ALA A 56 0.939 1.181 0.914 1.00 62.25 H new ATOM 0 HA ALA A 56 0.740 -1.664 0.577 1.00 34.24 H new ATOM 0 HB1 ALA A 56 -1.581 -1.323 1.423 1.00 72.34 H new ATOM 0 HB2 ALA A 56 -0.346 -0.596 2.477 1.00 72.34 H new ATOM 0 HB3 ALA A 56 -1.307 0.435 1.391 1.00 72.34 H new ATOM 925 N ARG A 57 -0.449 0.090 -1.928 1.00 73.44 N ATOM 926 CA ARG A 57 -1.136 -0.175 -3.217 1.00 64.13 C ATOM 927 C ARG A 57 -0.287 -0.983 -4.262 1.00 0.23 C ATOM 928 O ARG A 57 -0.883 -1.669 -5.080 1.00 44.41 O ATOM 929 CB ARG A 57 -1.879 1.050 -3.852 1.00 74.03 C ATOM 930 CG ARG A 57 -1.069 2.089 -4.680 1.00 25.43 C ATOM 931 CD ARG A 57 0.174 2.703 -4.003 1.00 4.54 C ATOM 932 NE ARG A 57 0.324 4.122 -4.322 1.00 54.01 N ATOM 933 CZ ARG A 57 1.249 4.616 -5.153 1.00 60.31 C ATOM 934 NH1 ARG A 57 2.096 3.813 -5.784 1.00 31.11 N ATOM 935 NH2 ARG A 57 1.344 5.933 -5.331 1.00 42.12 N ATOM 0 H ARG A 57 -0.049 1.021 -1.812 1.00 73.44 H new ATOM 0 HA ARG A 57 -1.936 -0.849 -2.911 1.00 64.13 H new ATOM 0 HB2 ARG A 57 -2.664 0.657 -4.498 1.00 74.03 H new ATOM 0 HB3 ARG A 57 -2.372 1.589 -3.043 1.00 74.03 H new ATOM 0 HG2 ARG A 57 -0.750 1.611 -5.606 1.00 25.43 H new ATOM 0 HG3 ARG A 57 -1.741 2.901 -4.956 1.00 25.43 H new ATOM 0 HD2 ARG A 57 0.097 2.580 -2.923 1.00 4.54 H new ATOM 0 HD3 ARG A 57 1.065 2.163 -4.322 1.00 4.54 H new ATOM 0 HE ARG A 57 -0.320 4.779 -3.882 1.00 54.01 H new ATOM 0 HH11 ARG A 57 2.047 2.805 -5.639 1.00 31.11 H new ATOM 0 HH12 ARG A 57 2.796 4.204 -6.415 1.00 31.11 H new ATOM 0 HH21 ARG A 57 0.713 6.562 -4.834 1.00 42.12 H new ATOM 0 HH22 ARG A 57 2.048 6.313 -5.964 1.00 42.12 H new ATOM 949 N ASP A 58 1.083 -0.926 -4.280 1.00 35.33 N ATOM 950 CA ASP A 58 1.837 -1.821 -5.216 1.00 73.20 C ATOM 951 C ASP A 58 1.981 -3.337 -4.754 1.00 34.43 C ATOM 952 O ASP A 58 2.071 -4.210 -5.619 1.00 2.33 O ATOM 953 CB ASP A 58 3.193 -1.191 -5.682 1.00 22.11 C ATOM 954 CG ASP A 58 2.973 -0.103 -6.721 1.00 1.44 C ATOM 955 OD1 ASP A 58 2.454 0.974 -6.353 1.00 34.11 O ATOM 956 OD2 ASP A 58 3.330 -0.315 -7.902 1.00 63.32 O ATOM 0 H ASP A 58 1.655 -0.313 -3.699 1.00 35.33 H new ATOM 0 HA ASP A 58 1.193 -1.888 -6.093 1.00 73.20 H new ATOM 0 HB2 ASP A 58 3.716 -0.774 -4.822 1.00 22.11 H new ATOM 0 HB3 ASP A 58 3.833 -1.969 -6.098 1.00 22.11 H new ATOM 961 N ALA A 59 2.026 -3.660 -3.415 1.00 1.31 N ATOM 962 CA ALA A 59 1.880 -5.046 -2.868 1.00 51.43 C ATOM 963 C ALA A 59 0.552 -5.806 -3.327 1.00 5.55 C ATOM 964 O ALA A 59 0.464 -7.071 -3.294 1.00 62.14 O ATOM 965 CB ALA A 59 2.087 -5.032 -1.329 1.00 55.50 C ATOM 0 H ALA A 59 2.165 -2.958 -2.688 1.00 1.31 H new ATOM 0 HA ALA A 59 2.670 -5.650 -3.313 1.00 51.43 H new ATOM 0 HB1 ALA A 59 1.979 -6.044 -0.938 1.00 55.50 H new ATOM 0 HB2 ALA A 59 3.085 -4.659 -1.099 1.00 55.50 H new ATOM 0 HB3 ALA A 59 1.342 -4.384 -0.868 1.00 55.50 H new ATOM 971 N ALA A 60 -0.492 -5.014 -3.692 1.00 25.23 N ATOM 972 CA ALA A 60 -1.776 -5.494 -4.271 1.00 45.24 C ATOM 973 C ALA A 60 -1.604 -6.509 -5.455 1.00 31.34 C ATOM 974 O ALA A 60 -2.375 -7.494 -5.479 1.00 40.13 O ATOM 975 CB ALA A 60 -2.722 -4.298 -4.639 1.00 62.32 C ATOM 0 H ALA A 60 -0.463 -4.000 -3.589 1.00 25.23 H new ATOM 0 HA ALA A 60 -2.261 -6.069 -3.483 1.00 45.24 H new ATOM 0 HB1 ALA A 60 -3.651 -4.685 -5.059 1.00 62.32 H new ATOM 0 HB2 ALA A 60 -2.943 -3.719 -3.742 1.00 62.32 H new ATOM 0 HB3 ALA A 60 -2.231 -3.658 -5.372 1.00 62.32 H new ATOM 981 N ASP A 61 -0.605 -6.329 -6.393 1.00 13.31 N ATOM 982 CA ASP A 61 -0.262 -7.383 -7.402 1.00 44.35 C ATOM 983 C ASP A 61 0.042 -8.748 -6.758 1.00 71.42 C ATOM 984 O ASP A 61 -0.569 -9.747 -7.155 1.00 75.52 O ATOM 985 CB ASP A 61 0.881 -6.949 -8.334 1.00 51.03 C ATOM 986 CG ASP A 61 0.435 -5.874 -9.311 1.00 75.22 C ATOM 987 OD1 ASP A 61 0.225 -4.730 -8.871 1.00 20.14 O ATOM 988 OD2 ASP A 61 0.263 -6.189 -10.512 1.00 32.15 O ATOM 0 H ASP A 61 -0.041 -5.482 -6.464 1.00 13.31 H new ATOM 0 HA ASP A 61 -1.157 -7.507 -8.012 1.00 44.35 H new ATOM 0 HB2 ASP A 61 1.714 -6.576 -7.738 1.00 51.03 H new ATOM 0 HB3 ASP A 61 1.247 -7.814 -8.887 1.00 51.03 H new ATOM 993 N ALA A 62 0.934 -8.798 -5.746 1.00 62.31 N ATOM 994 CA ALA A 62 1.189 -10.057 -5.003 1.00 24.01 C ATOM 995 C ALA A 62 -0.058 -10.608 -4.344 1.00 32.43 C ATOM 996 O ALA A 62 -0.312 -11.814 -4.476 1.00 23.12 O ATOM 997 CB ALA A 62 2.290 -9.955 -3.942 1.00 51.01 C ATOM 0 H ALA A 62 1.482 -7.999 -5.427 1.00 62.31 H new ATOM 0 HA ALA A 62 1.532 -10.740 -5.780 1.00 24.01 H new ATOM 0 HB1 ALA A 62 2.410 -10.919 -3.448 1.00 51.01 H new ATOM 0 HB2 ALA A 62 3.229 -9.672 -4.418 1.00 51.01 H new ATOM 0 HB3 ALA A 62 2.015 -9.201 -3.204 1.00 51.01 H new ATOM 1003 N ILE A 63 -0.870 -9.769 -3.673 1.00 72.04 N ATOM 1004 CA ILE A 63 -2.006 -10.366 -2.946 1.00 53.14 C ATOM 1005 C ILE A 63 -3.087 -10.918 -3.893 1.00 42.43 C ATOM 1006 O ILE A 63 -3.479 -12.054 -3.708 1.00 32.43 O ATOM 1007 CB ILE A 63 -2.607 -9.503 -1.803 1.00 3.30 C ATOM 1008 CG1 ILE A 63 -3.655 -10.353 -1.026 1.00 63.02 C ATOM 1009 CG2 ILE A 63 -3.217 -8.203 -2.311 1.00 73.03 C ATOM 1010 CD1 ILE A 63 -4.574 -9.572 -0.109 1.00 45.54 C ATOM 0 H ILE A 63 -0.776 -8.755 -3.618 1.00 72.04 H new ATOM 0 HA ILE A 63 -1.558 -11.211 -2.423 1.00 53.14 H new ATOM 0 HB ILE A 63 -1.799 -9.211 -1.132 1.00 3.30 H new ATOM 0 HG12 ILE A 63 -4.265 -10.895 -1.748 1.00 63.02 H new ATOM 0 HG13 ILE A 63 -3.125 -11.098 -0.433 1.00 63.02 H new ATOM 0 HG21 ILE A 63 -3.622 -7.639 -1.471 1.00 73.03 H new ATOM 0 HG22 ILE A 63 -2.449 -7.611 -2.809 1.00 73.03 H new ATOM 0 HG23 ILE A 63 -4.017 -8.428 -3.017 1.00 73.03 H new ATOM 0 HD11 ILE A 63 -5.264 -10.257 0.384 1.00 45.54 H new ATOM 0 HD12 ILE A 63 -3.981 -9.051 0.643 1.00 45.54 H new ATOM 0 HD13 ILE A 63 -5.139 -8.845 -0.693 1.00 45.54 H new ATOM 1022 N LYS A 64 -3.568 -10.155 -4.890 1.00 33.25 N ATOM 1023 CA LYS A 64 -4.396 -10.771 -5.953 1.00 14.24 C ATOM 1024 C LYS A 64 -3.729 -11.951 -6.728 1.00 70.13 C ATOM 1025 O LYS A 64 -4.457 -12.786 -7.266 1.00 41.21 O ATOM 1026 CB LYS A 64 -4.961 -9.730 -6.961 1.00 30.10 C ATOM 1027 CG LYS A 64 -3.934 -8.858 -7.726 1.00 43.10 C ATOM 1028 CD LYS A 64 -3.297 -9.555 -8.947 1.00 33.42 C ATOM 1029 CE LYS A 64 -2.781 -8.583 -9.985 1.00 73.33 C ATOM 1030 NZ LYS A 64 -3.852 -8.071 -10.866 1.00 2.21 N ATOM 0 H LYS A 64 -3.410 -9.152 -4.986 1.00 33.25 H new ATOM 0 HA LYS A 64 -5.220 -11.207 -5.388 1.00 14.24 H new ATOM 0 HB2 LYS A 64 -5.565 -10.263 -7.695 1.00 30.10 H new ATOM 0 HB3 LYS A 64 -5.633 -9.064 -6.419 1.00 30.10 H new ATOM 0 HG2 LYS A 64 -4.427 -7.945 -8.059 1.00 43.10 H new ATOM 0 HG3 LYS A 64 -3.143 -8.561 -7.038 1.00 43.10 H new ATOM 0 HD2 LYS A 64 -2.475 -10.186 -8.609 1.00 33.42 H new ATOM 0 HD3 LYS A 64 -4.035 -10.212 -9.408 1.00 33.42 H new ATOM 0 HE2 LYS A 64 -2.296 -7.745 -9.484 1.00 73.33 H new ATOM 0 HE3 LYS A 64 -2.021 -9.075 -10.592 1.00 73.33 H new ATOM 0 HZ1 LYS A 64 -3.446 -7.410 -11.558 1.00 2.21 H new ATOM 0 HZ2 LYS A 64 -4.299 -8.865 -11.367 1.00 2.21 H new ATOM 0 HZ3 LYS A 64 -4.566 -7.577 -10.293 1.00 2.21 H new ATOM 1044 N GLU A 65 -2.381 -12.049 -6.841 1.00 70.50 N ATOM 1045 CA GLU A 65 -1.822 -13.205 -7.571 1.00 62.45 C ATOM 1046 C GLU A 65 -1.739 -14.452 -6.657 1.00 62.53 C ATOM 1047 O GLU A 65 -1.691 -15.580 -7.150 1.00 12.52 O ATOM 1048 CB GLU A 65 -0.474 -12.878 -8.299 1.00 11.24 C ATOM 1049 CG GLU A 65 0.806 -12.940 -7.453 1.00 75.42 C ATOM 1050 CD GLU A 65 1.701 -14.111 -7.805 1.00 43.22 C ATOM 1051 OE1 GLU A 65 1.335 -15.267 -7.515 1.00 4.40 O ATOM 1052 OE2 GLU A 65 2.797 -13.860 -8.356 1.00 44.43 O ATOM 0 H GLU A 65 -1.702 -11.388 -6.463 1.00 70.50 H new ATOM 0 HA GLU A 65 -2.517 -13.446 -8.375 1.00 62.45 H new ATOM 0 HB2 GLU A 65 -0.363 -13.570 -9.134 1.00 11.24 H new ATOM 0 HB3 GLU A 65 -0.552 -11.877 -8.723 1.00 11.24 H new ATOM 0 HG2 GLU A 65 1.364 -12.013 -7.583 1.00 75.42 H new ATOM 0 HG3 GLU A 65 0.534 -13.003 -6.399 1.00 75.42 H new ATOM 1059 N LYS A 66 -1.759 -14.248 -5.322 1.00 22.10 N ATOM 1060 CA LYS A 66 -1.771 -15.365 -4.371 1.00 52.51 C ATOM 1061 C LYS A 66 -3.161 -15.475 -3.633 1.00 22.41 C ATOM 1062 O LYS A 66 -3.270 -16.160 -2.617 1.00 4.43 O ATOM 1063 CB LYS A 66 -0.505 -15.275 -3.412 1.00 52.20 C ATOM 1064 CG LYS A 66 0.740 -14.802 -4.194 1.00 44.15 C ATOM 1065 CD LYS A 66 2.126 -15.228 -3.680 1.00 51.51 C ATOM 1066 CE LYS A 66 3.211 -14.914 -4.748 1.00 34.13 C ATOM 1067 NZ LYS A 66 4.584 -15.310 -4.330 1.00 3.33 N ATOM 0 H LYS A 66 -1.767 -13.325 -4.887 1.00 22.10 H new ATOM 0 HA LYS A 66 -1.674 -16.310 -4.905 1.00 52.51 H new ATOM 0 HB2 LYS A 66 -0.711 -14.585 -2.594 1.00 52.20 H new ATOM 0 HB3 LYS A 66 -0.311 -16.250 -2.965 1.00 52.20 H new ATOM 0 HG2 LYS A 66 0.643 -15.155 -5.221 1.00 44.15 H new ATOM 0 HG3 LYS A 66 0.718 -13.713 -4.228 1.00 44.15 H new ATOM 0 HD2 LYS A 66 2.355 -14.704 -2.752 1.00 51.51 H new ATOM 0 HD3 LYS A 66 2.126 -16.294 -3.452 1.00 51.51 H new ATOM 0 HE2 LYS A 66 2.958 -15.430 -5.674 1.00 34.13 H new ATOM 0 HE3 LYS A 66 3.199 -13.846 -4.964 1.00 34.13 H new ATOM 0 HZ1 LYS A 66 5.200 -15.364 -5.166 1.00 3.33 H new ATOM 0 HZ2 LYS A 66 4.962 -14.604 -3.667 1.00 3.33 H new ATOM 0 HZ3 LYS A 66 4.551 -16.239 -3.865 1.00 3.33 H new ATOM 1081 N ASP A 67 -4.230 -14.809 -4.189 1.00 71.30 N ATOM 1082 CA ASP A 67 -5.581 -14.756 -3.558 1.00 12.12 C ATOM 1083 C ASP A 67 -6.380 -16.028 -3.762 1.00 30.42 C ATOM 1084 O ASP A 67 -6.086 -16.822 -4.671 1.00 71.34 O ATOM 1085 CB ASP A 67 -6.427 -13.495 -3.797 1.00 23.54 C ATOM 1086 CG ASP A 67 -7.429 -13.577 -4.958 1.00 51.30 C ATOM 1087 OD1 ASP A 67 -7.038 -13.323 -6.109 1.00 41.04 O ATOM 1088 OD2 ASP A 67 -8.624 -13.897 -4.695 1.00 63.34 O ATOM 0 H ASP A 67 -4.172 -14.304 -5.073 1.00 71.30 H new ATOM 0 HA ASP A 67 -5.326 -14.676 -2.501 1.00 12.12 H new ATOM 0 HB2 ASP A 67 -6.976 -13.269 -2.883 1.00 23.54 H new ATOM 0 HB3 ASP A 67 -5.754 -12.657 -3.980 1.00 23.54 H new ATOM 1093 N GLY A 68 -7.413 -16.232 -2.938 1.00 0.12 N ATOM 1094 CA GLY A 68 -7.940 -17.557 -2.791 1.00 22.50 C ATOM 1095 C GLY A 68 -7.772 -18.121 -1.407 1.00 63.35 C ATOM 1096 O GLY A 68 -7.656 -19.345 -1.287 1.00 61.35 O ATOM 0 H GLY A 68 -7.876 -15.510 -2.386 1.00 0.12 H new ATOM 0 HA2 GLY A 68 -9.000 -17.548 -3.044 1.00 22.50 H new ATOM 0 HA3 GLY A 68 -7.447 -18.216 -3.505 1.00 22.50 H new ATOM 1100 N CYS A 69 -7.683 -17.236 -0.371 1.00 61.21 N ATOM 1101 CA CYS A 69 -7.447 -17.674 0.998 1.00 62.01 C ATOM 1102 C CYS A 69 -8.507 -18.703 1.419 1.00 34.44 C ATOM 1103 O CYS A 69 -9.708 -18.428 1.378 1.00 1.31 O ATOM 1104 CB CYS A 69 -7.477 -16.430 1.920 1.00 30.32 C ATOM 1105 SG CYS A 69 -8.457 -15.057 1.290 1.00 5.33 S ATOM 0 H CYS A 69 -7.773 -16.226 -0.478 1.00 61.21 H new ATOM 0 HA CYS A 69 -6.474 -18.159 1.077 1.00 62.01 H new ATOM 0 HB2 CYS A 69 -7.870 -16.724 2.893 1.00 30.32 H new ATOM 0 HB3 CYS A 69 -6.455 -16.087 2.080 1.00 30.32 H new ATOM 0 HG CYS A 69 -8.417 -14.071 2.136 1.00 5.33 H new ATOM 1111 N ASP A 70 -8.036 -19.887 1.843 1.00 50.23 N ATOM 1112 CA ASP A 70 -8.940 -21.009 2.047 1.00 42.41 C ATOM 1113 C ASP A 70 -8.692 -21.716 3.391 1.00 53.23 C ATOM 1114 O ASP A 70 -7.545 -21.753 3.872 1.00 21.41 O ATOM 1115 CB ASP A 70 -8.847 -21.988 0.876 1.00 12.43 C ATOM 1116 CG ASP A 70 -10.183 -22.668 0.609 1.00 0.23 C ATOM 1117 OD1 ASP A 70 -10.530 -23.641 1.316 1.00 31.21 O ATOM 1118 OD2 ASP A 70 -10.887 -22.226 -0.317 1.00 62.42 O ATOM 0 H ASP A 70 -7.055 -20.081 2.045 1.00 50.23 H new ATOM 0 HA ASP A 70 -9.955 -20.613 2.086 1.00 42.41 H new ATOM 0 HB2 ASP A 70 -8.523 -21.457 -0.019 1.00 12.43 H new ATOM 0 HB3 ASP A 70 -8.090 -22.742 1.090 1.00 12.43 H new ATOM 1123 N PHE A 71 -9.776 -22.316 3.937 1.00 11.45 N ATOM 1124 CA PHE A 71 -9.914 -22.783 5.305 1.00 4.24 C ATOM 1125 C PHE A 71 -10.852 -23.989 5.267 1.00 13.01 C ATOM 1126 O PHE A 71 -11.744 -24.004 4.417 1.00 41.13 O ATOM 1127 CB PHE A 71 -10.450 -21.693 6.270 1.00 2.42 C ATOM 1128 CG PHE A 71 -11.301 -20.602 5.641 1.00 40.33 C ATOM 1129 CD1 PHE A 71 -12.569 -20.870 5.141 1.00 21.22 C ATOM 1130 CD2 PHE A 71 -10.832 -19.294 5.590 1.00 35.32 C ATOM 1131 CE1 PHE A 71 -13.349 -19.859 4.607 1.00 31.41 C ATOM 1132 CE2 PHE A 71 -11.606 -18.286 5.049 1.00 62.12 C ATOM 1133 CZ PHE A 71 -12.866 -18.569 4.560 1.00 24.20 C ATOM 0 H PHE A 71 -10.618 -22.489 3.388 1.00 11.45 H new ATOM 0 HA PHE A 71 -8.932 -23.050 5.697 1.00 4.24 H new ATOM 0 HB2 PHE A 71 -11.038 -22.182 7.047 1.00 2.42 H new ATOM 0 HB3 PHE A 71 -9.599 -21.223 6.763 1.00 2.42 H new ATOM 0 HD1 PHE A 71 -12.951 -21.880 5.169 1.00 21.22 H new ATOM 0 HD2 PHE A 71 -9.851 -19.063 5.978 1.00 35.32 H new ATOM 0 HE1 PHE A 71 -14.335 -20.081 4.227 1.00 31.41 H new ATOM 0 HE2 PHE A 71 -11.226 -17.276 5.008 1.00 62.12 H new ATOM 0 HZ PHE A 71 -13.473 -17.780 4.141 1.00 24.20 H new ATOM 1143 N GLU A 72 -10.620 -25.012 6.116 1.00 14.54 N ATOM 1144 CA GLU A 72 -11.494 -26.227 6.172 1.00 13.31 C ATOM 1145 C GLU A 72 -11.343 -27.157 4.930 1.00 60.42 C ATOM 1146 O GLU A 72 -12.279 -27.321 4.140 1.00 44.40 O ATOM 1147 CB GLU A 72 -13.021 -25.882 6.355 1.00 52.44 C ATOM 1148 CG GLU A 72 -13.459 -25.046 7.577 1.00 12.15 C ATOM 1149 CD GLU A 72 -13.873 -25.889 8.765 1.00 61.33 C ATOM 1150 OE1 GLU A 72 -12.998 -26.304 9.551 1.00 75.32 O ATOM 1151 OE2 GLU A 72 -15.094 -26.132 8.909 1.00 71.50 O ATOM 0 H GLU A 72 -9.841 -25.031 6.774 1.00 14.54 H new ATOM 0 HA GLU A 72 -11.140 -26.760 7.054 1.00 13.31 H new ATOM 0 HB2 GLU A 72 -13.348 -25.353 5.460 1.00 52.44 H new ATOM 0 HB3 GLU A 72 -13.569 -26.823 6.387 1.00 52.44 H new ATOM 0 HG2 GLU A 72 -12.639 -24.392 7.873 1.00 12.15 H new ATOM 0 HG3 GLU A 72 -14.291 -24.404 7.289 1.00 12.15 H new ATOM 1158 N GLY A 73 -10.144 -27.735 4.754 1.00 11.30 N ATOM 1159 CA GLY A 73 -9.911 -28.762 3.728 1.00 51.25 C ATOM 1160 C GLY A 73 -9.273 -28.304 2.418 1.00 60.31 C ATOM 1161 O GLY A 73 -8.805 -29.152 1.660 1.00 73.44 O ATOM 0 H GLY A 73 -9.320 -27.507 5.311 1.00 11.30 H new ATOM 0 HA2 GLY A 73 -9.276 -29.535 4.161 1.00 51.25 H new ATOM 0 HA3 GLY A 73 -10.868 -29.229 3.493 1.00 51.25 H new ATOM 1165 N ASN A 74 -9.207 -27.010 2.137 1.00 41.15 N ATOM 1166 CA ASN A 74 -8.129 -26.521 1.236 1.00 34.23 C ATOM 1167 C ASN A 74 -7.311 -25.538 2.054 1.00 63.43 C ATOM 1168 O ASN A 74 -7.864 -24.591 2.585 1.00 73.31 O ATOM 1169 CB ASN A 74 -8.621 -25.904 -0.140 1.00 24.33 C ATOM 1170 CG ASN A 74 -9.804 -26.640 -0.733 1.00 30.21 C ATOM 1171 OD1 ASN A 74 -9.641 -27.611 -1.471 1.00 53.02 O ATOM 1172 ND2 ASN A 74 -10.998 -26.154 -0.441 1.00 22.41 N ATOM 0 H ASN A 74 -9.845 -26.297 2.491 1.00 41.15 H new ATOM 0 HA ASN A 74 -7.533 -27.371 0.903 1.00 34.23 H new ATOM 0 HB2 ASN A 74 -8.891 -24.859 0.013 1.00 24.33 H new ATOM 0 HB3 ASN A 74 -7.797 -25.919 -0.853 1.00 24.33 H new ATOM 0 HD21 ASN A 74 -11.834 -26.587 -0.833 1.00 22.41 H new ATOM 0 HD22 ASN A 74 -11.083 -25.346 0.176 1.00 22.41 H new ATOM 1179 N LYS A 75 -6.007 -25.804 2.255 1.00 73.54 N ATOM 1180 CA LYS A 75 -5.241 -24.950 3.200 1.00 21.42 C ATOM 1181 C LYS A 75 -4.534 -23.841 2.380 1.00 61.31 C ATOM 1182 O LYS A 75 -3.514 -24.138 1.755 1.00 52.11 O ATOM 1183 CB LYS A 75 -4.214 -25.795 4.085 1.00 11.22 C ATOM 1184 CG LYS A 75 -4.318 -25.646 5.645 1.00 53.51 C ATOM 1185 CD LYS A 75 -4.743 -26.943 6.404 1.00 31.00 C ATOM 1186 CE LYS A 75 -6.221 -26.943 6.836 1.00 55.34 C ATOM 1187 NZ LYS A 75 -6.410 -26.284 8.159 1.00 61.55 N ATOM 0 H LYS A 75 -5.481 -26.555 1.809 1.00 73.54 H new ATOM 0 HA LYS A 75 -5.925 -24.495 3.916 1.00 21.42 H new ATOM 0 HB2 LYS A 75 -4.342 -26.849 3.837 1.00 11.22 H new ATOM 0 HB3 LYS A 75 -3.203 -25.518 3.786 1.00 11.22 H new ATOM 0 HG2 LYS A 75 -3.352 -25.318 6.029 1.00 53.51 H new ATOM 0 HG3 LYS A 75 -5.036 -24.858 5.873 1.00 53.51 H new ATOM 0 HD2 LYS A 75 -4.559 -27.806 5.764 1.00 31.00 H new ATOM 0 HD3 LYS A 75 -4.114 -27.061 7.287 1.00 31.00 H new ATOM 0 HE2 LYS A 75 -6.819 -26.428 6.084 1.00 55.34 H new ATOM 0 HE3 LYS A 75 -6.585 -27.969 6.885 1.00 55.34 H new ATOM 0 HZ1 LYS A 75 -7.418 -26.304 8.416 1.00 61.55 H new ATOM 0 HZ2 LYS A 75 -5.859 -26.790 8.881 1.00 61.55 H new ATOM 0 HZ3 LYS A 75 -6.086 -25.297 8.105 1.00 61.55 H new ATOM 1201 N LEU A 76 -5.035 -22.560 2.364 1.00 11.13 N ATOM 1202 CA LEU A 76 -4.360 -21.521 1.520 1.00 30.10 C ATOM 1203 C LEU A 76 -4.675 -20.040 1.910 1.00 11.43 C ATOM 1204 O LEU A 76 -5.229 -19.367 1.081 1.00 55.54 O ATOM 1205 CB LEU A 76 -4.795 -21.702 0.033 1.00 45.24 C ATOM 1206 CG LEU A 76 -3.798 -22.371 -0.909 1.00 1.41 C ATOM 1207 CD1 LEU A 76 -4.524 -23.357 -1.813 1.00 73.11 C ATOM 1208 CD2 LEU A 76 -3.090 -21.319 -1.747 1.00 14.34 C ATOM 0 H LEU A 76 -5.849 -22.240 2.889 1.00 11.13 H new ATOM 0 HA LEU A 76 -3.294 -21.679 1.681 1.00 30.10 H new ATOM 0 HB2 LEU A 76 -5.716 -22.285 0.019 1.00 45.24 H new ATOM 0 HB3 LEU A 76 -5.034 -20.718 -0.371 1.00 45.24 H new ATOM 0 HG LEU A 76 -3.056 -22.910 -0.320 1.00 1.41 H new ATOM 0 HD11 LEU A 76 -3.807 -23.832 -2.483 1.00 73.11 H new ATOM 0 HD12 LEU A 76 -5.011 -24.119 -1.204 1.00 73.11 H new ATOM 0 HD13 LEU A 76 -5.275 -22.828 -2.400 1.00 73.11 H new ATOM 0 HD21 LEU A 76 -2.380 -21.805 -2.417 1.00 14.34 H new ATOM 0 HD22 LEU A 76 -3.824 -20.767 -2.334 1.00 14.34 H new ATOM 0 HD23 LEU A 76 -2.557 -20.630 -1.092 1.00 14.34 H new ATOM 1220 N ARG A 77 -4.296 -19.461 3.087 1.00 71.00 N ATOM 1221 CA ARG A 77 -4.785 -18.102 3.457 1.00 44.40 C ATOM 1222 C ARG A 77 -3.724 -16.982 3.124 1.00 20.00 C ATOM 1223 O ARG A 77 -2.629 -16.959 3.685 1.00 10.12 O ATOM 1224 CB ARG A 77 -5.233 -18.139 4.973 1.00 40.43 C ATOM 1225 CG ARG A 77 -4.757 -16.996 5.916 1.00 21.52 C ATOM 1226 CD ARG A 77 -5.679 -15.756 5.984 1.00 73.40 C ATOM 1227 NE ARG A 77 -7.119 -16.090 5.905 1.00 40.21 N ATOM 1228 CZ ARG A 77 -8.110 -15.189 5.830 1.00 13.42 C ATOM 1229 NH1 ARG A 77 -7.834 -13.901 5.836 1.00 31.33 N ATOM 1230 NH2 ARG A 77 -9.367 -15.600 5.736 1.00 32.12 N ATOM 0 H ARG A 77 -3.677 -19.896 3.771 1.00 71.00 H new ATOM 0 HA ARG A 77 -5.651 -17.830 2.854 1.00 44.40 H new ATOM 0 HB2 ARG A 77 -6.323 -18.156 4.996 1.00 40.43 H new ATOM 0 HB3 ARG A 77 -4.890 -19.083 5.397 1.00 40.43 H new ATOM 0 HG2 ARG A 77 -4.649 -17.401 6.922 1.00 21.52 H new ATOM 0 HG3 ARG A 77 -3.767 -16.673 5.594 1.00 21.52 H new ATOM 0 HD2 ARG A 77 -5.488 -15.221 6.914 1.00 73.40 H new ATOM 0 HD3 ARG A 77 -5.425 -15.078 5.169 1.00 73.40 H new ATOM 0 HE ARG A 77 -7.376 -17.077 5.908 1.00 40.21 H new ATOM 0 HH11 ARG A 77 -6.865 -13.587 5.898 1.00 31.33 H new ATOM 0 HH12 ARG A 77 -8.589 -13.217 5.779 1.00 31.33 H new ATOM 0 HH21 ARG A 77 -9.577 -16.598 5.721 1.00 32.12 H new ATOM 0 HH22 ARG A 77 -10.124 -14.918 5.679 1.00 32.12 H new ATOM 1244 N VAL A 78 -4.018 -16.048 2.176 1.00 33.14 N ATOM 1245 CA VAL A 78 -3.198 -14.842 2.082 1.00 5.15 C ATOM 1246 C VAL A 78 -4.113 -13.636 2.304 1.00 34.25 C ATOM 1247 O VAL A 78 -5.023 -13.434 1.497 1.00 3.35 O ATOM 1248 CB VAL A 78 -2.447 -14.662 0.687 1.00 11.53 C ATOM 1249 CG1 VAL A 78 -1.475 -13.481 0.763 1.00 14.44 C ATOM 1250 CG2 VAL A 78 -1.663 -15.922 0.289 1.00 12.34 C ATOM 0 H VAL A 78 -4.782 -16.114 1.503 1.00 33.14 H new ATOM 0 HA VAL A 78 -2.417 -14.928 2.837 1.00 5.15 H new ATOM 0 HB VAL A 78 -3.212 -14.478 -0.068 1.00 11.53 H new ATOM 0 HG11 VAL A 78 -0.967 -13.366 -0.194 1.00 14.44 H new ATOM 0 HG12 VAL A 78 -2.027 -12.570 0.993 1.00 14.44 H new ATOM 0 HG13 VAL A 78 -0.738 -13.666 1.545 1.00 14.44 H new ATOM 0 HG21 VAL A 78 -1.167 -15.755 -0.667 1.00 12.34 H new ATOM 0 HG22 VAL A 78 -0.916 -16.142 1.052 1.00 12.34 H new ATOM 0 HG23 VAL A 78 -2.349 -16.764 0.200 1.00 12.34 H new ATOM 1260 N GLU A 79 -3.925 -12.819 3.377 1.00 61.33 N ATOM 1261 CA GLU A 79 -4.656 -11.557 3.390 1.00 42.34 C ATOM 1262 C GLU A 79 -3.818 -10.426 3.991 1.00 3.31 C ATOM 1263 O GLU A 79 -3.020 -10.614 4.918 1.00 60.34 O ATOM 1264 CB GLU A 79 -6.016 -11.685 4.113 1.00 73.54 C ATOM 1265 CG GLU A 79 -7.127 -10.820 3.506 1.00 65.34 C ATOM 1266 CD GLU A 79 -8.354 -10.708 4.390 1.00 73.34 C ATOM 1267 OE1 GLU A 79 -8.264 -11.050 5.595 1.00 52.24 O ATOM 1268 OE2 GLU A 79 -9.409 -10.263 3.883 1.00 43.40 O ATOM 0 H GLU A 79 -3.320 -13.004 4.177 1.00 61.33 H new ATOM 0 HA GLU A 79 -4.862 -11.302 2.351 1.00 42.34 H new ATOM 0 HB2 GLU A 79 -6.330 -12.729 4.093 1.00 73.54 H new ATOM 0 HB3 GLU A 79 -5.887 -11.411 5.160 1.00 73.54 H new ATOM 0 HG2 GLU A 79 -6.735 -9.821 3.313 1.00 65.34 H new ATOM 0 HG3 GLU A 79 -7.419 -11.240 2.543 1.00 65.34 H new ATOM 1275 N VAL A 80 -3.967 -9.258 3.401 1.00 15.12 N ATOM 1276 CA VAL A 80 -3.430 -8.037 3.950 1.00 22.30 C ATOM 1277 C VAL A 80 -4.381 -7.459 5.017 1.00 51.31 C ATOM 1278 O VAL A 80 -5.582 -7.318 4.799 1.00 61.51 O ATOM 1279 CB VAL A 80 -3.170 -7.015 2.810 1.00 2.54 C ATOM 1280 CG1 VAL A 80 -2.216 -7.621 1.804 1.00 71.42 C ATOM 1281 CG2 VAL A 80 -4.446 -6.569 2.100 1.00 41.30 C ATOM 0 H VAL A 80 -4.468 -9.132 2.521 1.00 15.12 H new ATOM 0 HA VAL A 80 -2.480 -8.253 4.439 1.00 22.30 H new ATOM 0 HB VAL A 80 -2.738 -6.126 3.269 1.00 2.54 H new ATOM 0 HG11 VAL A 80 -2.031 -6.907 1.002 1.00 71.42 H new ATOM 0 HG12 VAL A 80 -1.275 -7.866 2.297 1.00 71.42 H new ATOM 0 HG13 VAL A 80 -2.654 -8.528 1.388 1.00 71.42 H new ATOM 0 HG21 VAL A 80 -4.195 -5.856 1.315 1.00 41.30 H new ATOM 0 HG22 VAL A 80 -4.939 -7.435 1.659 1.00 41.30 H new ATOM 0 HG23 VAL A 80 -5.116 -6.097 2.818 1.00 41.30 H new ATOM 1291 N PRO A 81 -3.881 -7.173 6.220 1.00 4.32 N ATOM 1292 CA PRO A 81 -4.601 -6.325 7.166 1.00 72.42 C ATOM 1293 C PRO A 81 -4.331 -4.826 6.932 1.00 12.04 C ATOM 1294 O PRO A 81 -4.470 -4.014 7.851 1.00 41.23 O ATOM 1295 CB PRO A 81 -4.063 -6.799 8.521 1.00 74.42 C ATOM 1296 CG PRO A 81 -2.701 -7.345 8.249 1.00 62.22 C ATOM 1297 CD PRO A 81 -2.662 -7.742 6.802 1.00 22.11 C ATOM 0 HA PRO A 81 -5.684 -6.413 7.077 1.00 72.42 H new ATOM 0 HB2 PRO A 81 -4.019 -5.976 9.234 1.00 74.42 H new ATOM 0 HB3 PRO A 81 -4.711 -7.561 8.954 1.00 74.42 H new ATOM 0 HG2 PRO A 81 -1.937 -6.598 8.463 1.00 62.22 H new ATOM 0 HG3 PRO A 81 -2.496 -8.203 8.889 1.00 62.22 H new ATOM 0 HD2 PRO A 81 -1.771 -7.353 6.310 1.00 22.11 H new ATOM 0 HD3 PRO A 81 -2.640 -8.826 6.691 1.00 22.11 H new ATOM 1305 N PHE A 82 -3.966 -4.449 5.693 1.00 3.13 N ATOM 1306 CA PHE A 82 -3.820 -3.027 5.362 1.00 74.41 C ATOM 1307 C PHE A 82 -4.995 -2.537 4.509 1.00 31.14 C ATOM 1308 O PHE A 82 -5.413 -1.383 4.637 1.00 13.22 O ATOM 1309 CB PHE A 82 -2.439 -2.645 4.728 1.00 54.21 C ATOM 1310 CG PHE A 82 -1.966 -3.337 3.447 1.00 3.43 C ATOM 1311 CD1 PHE A 82 -2.696 -3.292 2.272 1.00 61.41 C ATOM 1312 CD2 PHE A 82 -0.737 -3.972 3.418 1.00 34.10 C ATOM 1313 CE1 PHE A 82 -2.221 -3.867 1.112 1.00 10.43 C ATOM 1314 CE2 PHE A 82 -0.250 -4.537 2.264 1.00 70.04 C ATOM 1315 CZ PHE A 82 -0.994 -4.491 1.109 1.00 3.22 C ATOM 0 H PHE A 82 -3.772 -5.092 4.926 1.00 3.13 H new ATOM 0 HA PHE A 82 -3.840 -2.501 6.316 1.00 74.41 H new ATOM 0 HB2 PHE A 82 -2.459 -1.574 4.529 1.00 54.21 H new ATOM 0 HB3 PHE A 82 -1.676 -2.814 5.488 1.00 54.21 H new ATOM 0 HD1 PHE A 82 -3.656 -2.797 2.263 1.00 61.41 H new ATOM 0 HD2 PHE A 82 -0.148 -4.025 4.322 1.00 34.10 H new ATOM 0 HE1 PHE A 82 -2.810 -3.828 0.208 1.00 10.43 H new ATOM 0 HE2 PHE A 82 0.717 -5.017 2.264 1.00 70.04 H new ATOM 0 HZ PHE A 82 -0.617 -4.943 0.203 1.00 3.22 H new ATOM 1325 N ASN A 83 -5.533 -3.464 3.686 1.00 61.32 N ATOM 1326 CA ASN A 83 -6.643 -3.214 2.726 1.00 11.43 C ATOM 1327 C ASN A 83 -6.399 -1.981 1.814 1.00 74.42 C ATOM 1328 O ASN A 83 -7.047 -0.946 2.004 1.00 70.31 O ATOM 1329 CB ASN A 83 -8.007 -3.075 3.451 1.00 61.14 C ATOM 1330 CG ASN A 83 -8.506 -4.382 4.054 1.00 15.14 C ATOM 1331 OD1 ASN A 83 -7.732 -5.230 4.498 1.00 42.42 O ATOM 1332 ND2 ASN A 83 -9.819 -4.555 4.070 1.00 13.32 N ATOM 0 H ASN A 83 -5.204 -4.429 3.666 1.00 61.32 H new ATOM 0 HA ASN A 83 -6.672 -4.093 2.081 1.00 11.43 H new ATOM 0 HB2 ASN A 83 -7.916 -2.330 4.241 1.00 61.14 H new ATOM 0 HB3 ASN A 83 -8.749 -2.702 2.745 1.00 61.14 H new ATOM 0 HD21 ASN A 83 -10.216 -5.411 4.458 1.00 13.32 H new ATOM 0 HD22 ASN A 83 -10.433 -3.833 3.694 1.00 13.32 H new