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 -100:sc= 0.834 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0319 K(o=-0.032,f=-0.84) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc=-0.00903 K(o=-0.009,f=-1.9!) USER MOD Single : A 36 LYS NZ :NH3+ -139:sc= 0.371 (180deg=-0.0365) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.412 USER MOD Single : A 40 LYS NZ :NH3+ -134:sc= 0.234 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0541 USER MOD Single : A 44 SER OG : rot -31:sc= 0.0843 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 0.0584 (180deg=0.0162) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.0381 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -157:sc= -0.0341 (180deg=-0.227) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 157 N SER A 8 1.825 -0.581 6.576 1.00 20.31 N ATOM 158 CA SER A 8 1.332 -1.528 5.583 1.00 42.24 C ATOM 159 C SER A 8 1.957 -2.917 5.795 1.00 44.40 C ATOM 160 O SER A 8 3.173 -3.090 5.653 1.00 71.20 O ATOM 161 CB SER A 8 1.653 -0.993 4.188 1.00 51.11 C ATOM 162 OG SER A 8 1.198 -1.870 3.186 1.00 21.20 O ATOM 0 HA SER A 8 0.253 -1.637 5.689 1.00 42.24 H new ATOM 0 HB2 SER A 8 1.190 -0.015 4.056 1.00 51.11 H new ATOM 0 HB3 SER A 8 2.729 -0.852 4.089 1.00 51.11 H new ATOM 0 HG SER A 8 1.948 -2.409 2.857 1.00 21.20 H new ATOM 168 N ARG A 9 1.099 -3.908 6.058 1.00 1.24 N ATOM 169 CA ARG A 9 1.554 -5.261 6.366 1.00 33.32 C ATOM 170 C ARG A 9 0.617 -6.325 5.782 1.00 14.03 C ATOM 171 O ARG A 9 -0.567 -6.075 5.626 1.00 60.43 O ATOM 172 CB ARG A 9 1.713 -5.427 7.887 1.00 2.24 C ATOM 173 CG ARG A 9 0.427 -5.255 8.686 1.00 23.45 C ATOM 174 CD ARG A 9 0.716 -5.110 10.169 1.00 1.13 C ATOM 175 NE ARG A 9 -0.434 -5.494 11.000 1.00 22.31 N ATOM 176 CZ ARG A 9 -0.467 -5.411 12.340 1.00 20.04 C ATOM 177 NH1 ARG A 9 0.576 -4.935 13.021 1.00 14.32 N ATOM 178 NH2 ARG A 9 -1.545 -5.827 12.998 1.00 22.12 N ATOM 0 H ARG A 9 0.085 -3.795 6.063 1.00 1.24 H new ATOM 0 HA ARG A 9 2.526 -5.409 5.895 1.00 33.32 H new ATOM 0 HB2 ARG A 9 2.120 -6.417 8.090 1.00 2.24 H new ATOM 0 HB3 ARG A 9 2.445 -4.702 8.243 1.00 2.24 H new ATOM 0 HG2 ARG A 9 -0.110 -4.376 8.330 1.00 23.45 H new ATOM 0 HG3 ARG A 9 -0.223 -6.114 8.522 1.00 23.45 H new ATOM 0 HD2 ARG A 9 1.574 -5.728 10.432 1.00 1.13 H new ATOM 0 HD3 ARG A 9 0.989 -4.077 10.385 1.00 1.13 H new ATOM 0 HE ARG A 9 -1.265 -5.848 10.526 1.00 22.31 H new ATOM 0 HH11 ARG A 9 1.412 -4.628 12.524 1.00 14.32 H new ATOM 0 HH12 ARG A 9 0.537 -4.878 14.039 1.00 14.32 H new ATOM 0 HH21 ARG A 9 -2.341 -6.207 12.485 1.00 22.12 H new ATOM 0 HH22 ARG A 9 -1.576 -5.767 14.016 1.00 22.12 H new ATOM 192 N ILE A 10 1.157 -7.512 5.491 1.00 0.53 N ATOM 193 CA ILE A 10 0.371 -8.642 4.959 1.00 74.35 C ATOM 194 C ILE A 10 0.399 -9.798 5.943 1.00 12.03 C ATOM 195 O ILE A 10 1.482 -10.121 6.491 1.00 34.23 O ATOM 196 CB ILE A 10 0.877 -9.124 3.553 1.00 71.11 C ATOM 197 CG1 ILE A 10 0.556 -8.055 2.523 1.00 42.11 C ATOM 198 CG2 ILE A 10 0.255 -10.464 3.119 1.00 34.13 C ATOM 199 CD1 ILE A 10 0.979 -8.366 1.102 1.00 74.32 C ATOM 0 H ILE A 10 2.147 -7.722 5.615 1.00 0.53 H new ATOM 0 HA ILE A 10 -0.651 -8.288 4.827 1.00 74.35 H new ATOM 0 HB ILE A 10 1.952 -9.285 3.627 1.00 71.11 H new ATOM 0 HG12 ILE A 10 -0.520 -7.878 2.532 1.00 42.11 H new ATOM 0 HG13 ILE A 10 1.034 -7.125 2.830 1.00 42.11 H new ATOM 0 HG21 ILE A 10 0.643 -10.745 2.140 1.00 34.13 H new ATOM 0 HG22 ILE A 10 0.510 -11.236 3.845 1.00 34.13 H new ATOM 0 HG23 ILE A 10 -0.829 -10.361 3.064 1.00 34.13 H new ATOM 0 HD11 ILE A 10 0.702 -7.537 0.450 1.00 74.32 H new ATOM 0 HD12 ILE A 10 2.059 -8.510 1.067 1.00 74.32 H new ATOM 0 HD13 ILE A 10 0.481 -9.275 0.765 1.00 74.32 H new ATOM 211 N TYR A 11 -0.807 -10.395 6.155 1.00 52.33 N ATOM 212 CA TYR A 11 -0.988 -11.529 7.050 1.00 21.11 C ATOM 213 C TYR A 11 -1.119 -12.808 6.228 1.00 62.52 C ATOM 214 O TYR A 11 -2.062 -12.988 5.443 1.00 34.51 O ATOM 215 CB TYR A 11 -2.235 -11.329 7.935 1.00 63.04 C ATOM 216 CG TYR A 11 -2.370 -12.311 9.094 1.00 30.53 C ATOM 217 CD1 TYR A 11 -2.983 -13.553 8.934 1.00 31.42 C ATOM 218 CD2 TYR A 11 -1.896 -11.980 10.357 1.00 72.53 C ATOM 219 CE1 TYR A 11 -3.106 -14.432 9.992 1.00 41.55 C ATOM 220 CE2 TYR A 11 -2.016 -12.854 11.421 1.00 42.20 C ATOM 221 CZ TYR A 11 -2.623 -14.076 11.233 1.00 75.20 C ATOM 222 OH TYR A 11 -2.745 -14.953 12.286 1.00 10.42 O ATOM 0 H TYR A 11 -1.668 -10.089 5.702 1.00 52.33 H new ATOM 0 HA TYR A 11 -0.119 -11.608 7.704 1.00 21.11 H new ATOM 0 HB2 TYR A 11 -2.217 -10.316 8.337 1.00 63.04 H new ATOM 0 HB3 TYR A 11 -3.123 -11.407 7.308 1.00 63.04 H new ATOM 0 HD1 TYR A 11 -3.369 -13.833 7.965 1.00 31.42 H new ATOM 0 HD2 TYR A 11 -1.424 -11.021 10.511 1.00 72.53 H new ATOM 0 HE1 TYR A 11 -3.578 -15.393 9.848 1.00 41.55 H new ATOM 0 HE2 TYR A 11 -1.636 -12.580 12.394 1.00 42.20 H new ATOM 0 HH TYR A 11 -2.354 -14.554 13.091 1.00 10.42 H new ATOM 232 N VAL A 12 -0.151 -13.672 6.400 1.00 4.11 N ATOM 233 CA VAL A 12 -0.161 -14.983 5.787 1.00 72.33 C ATOM 234 C VAL A 12 -0.226 -16.018 6.908 1.00 34.40 C ATOM 235 O VAL A 12 0.460 -15.865 7.911 1.00 54.10 O ATOM 236 CB VAL A 12 1.100 -15.224 4.899 1.00 30.14 C ATOM 237 CG1 VAL A 12 1.072 -16.592 4.244 1.00 21.14 C ATOM 238 CG2 VAL A 12 1.244 -14.151 3.824 1.00 53.42 C ATOM 0 H VAL A 12 0.673 -13.488 6.972 1.00 4.11 H new ATOM 0 HA VAL A 12 -1.025 -15.066 5.128 1.00 72.33 H new ATOM 0 HB VAL A 12 1.960 -15.172 5.566 1.00 30.14 H new ATOM 0 HG11 VAL A 12 1.966 -16.722 3.634 1.00 21.14 H new ATOM 0 HG12 VAL A 12 1.042 -17.363 5.014 1.00 21.14 H new ATOM 0 HG13 VAL A 12 0.187 -16.675 3.613 1.00 21.14 H new ATOM 0 HG21 VAL A 12 2.133 -14.352 3.226 1.00 53.42 H new ATOM 0 HG22 VAL A 12 0.364 -14.160 3.181 1.00 53.42 H new ATOM 0 HG23 VAL A 12 1.338 -13.173 4.296 1.00 53.42 H new ATOM 248 N GLY A 13 -1.113 -16.996 6.775 1.00 53.20 N ATOM 249 CA GLY A 13 -1.167 -18.111 7.708 1.00 51.10 C ATOM 250 C GLY A 13 -1.448 -19.425 7.000 1.00 2.34 C ATOM 251 O GLY A 13 -1.923 -19.421 5.860 1.00 20.24 O ATOM 0 H GLY A 13 -1.806 -17.038 6.028 1.00 53.20 H new ATOM 0 HA2 GLY A 13 -0.221 -18.182 8.245 1.00 51.10 H new ATOM 0 HA3 GLY A 13 -1.942 -17.926 8.452 1.00 51.10 H new ATOM 255 N ASN A 14 -1.121 -20.553 7.668 1.00 52.15 N ATOM 256 CA ASN A 14 -1.343 -21.924 7.135 1.00 21.51 C ATOM 257 C ASN A 14 -0.568 -22.170 5.831 1.00 60.33 C ATOM 258 O ASN A 14 -0.970 -23.000 5.019 1.00 71.41 O ATOM 259 CB ASN A 14 -2.843 -22.199 6.911 1.00 32.11 C ATOM 260 CG ASN A 14 -3.599 -22.520 8.184 1.00 32.25 C ATOM 261 OD1 ASN A 14 -3.074 -23.141 9.098 1.00 2.02 O ATOM 262 ND2 ASN A 14 -4.853 -22.107 8.234 1.00 50.44 N ATOM 0 H ASN A 14 -0.694 -20.543 8.594 1.00 52.15 H new ATOM 0 HA ASN A 14 -0.964 -22.615 7.888 1.00 21.51 H new ATOM 0 HB2 ASN A 14 -3.297 -21.327 6.439 1.00 32.11 H new ATOM 0 HB3 ASN A 14 -2.951 -23.031 6.215 1.00 32.11 H new ATOM 0 HD21 ASN A 14 -5.422 -22.303 9.057 1.00 50.44 H new ATOM 0 HD22 ASN A 14 -5.252 -21.592 7.449 1.00 50.44 H new ATOM 269 N LEU A 15 0.551 -21.466 5.659 1.00 43.54 N ATOM 270 CA LEU A 15 1.313 -21.509 4.417 1.00 1.42 C ATOM 271 C LEU A 15 2.257 -22.715 4.373 1.00 61.03 C ATOM 272 O LEU A 15 3.055 -22.913 5.297 1.00 34.34 O ATOM 273 CB LEU A 15 2.095 -20.187 4.255 1.00 2.04 C ATOM 274 CG LEU A 15 3.189 -20.160 3.172 1.00 63.04 C ATOM 275 CD1 LEU A 15 2.804 -19.266 2.002 1.00 0.34 C ATOM 276 CD2 LEU A 15 4.507 -19.707 3.781 1.00 23.23 C ATOM 0 H LEU A 15 0.950 -20.855 6.372 1.00 43.54 H new ATOM 0 HA LEU A 15 0.618 -21.623 3.585 1.00 1.42 H new ATOM 0 HB2 LEU A 15 1.380 -19.393 4.037 1.00 2.04 H new ATOM 0 HB3 LEU A 15 2.557 -19.945 5.212 1.00 2.04 H new ATOM 0 HG LEU A 15 3.302 -21.171 2.781 1.00 63.04 H new ATOM 0 HD11 LEU A 15 3.602 -19.274 1.260 1.00 0.34 H new ATOM 0 HD12 LEU A 15 1.884 -19.635 1.549 1.00 0.34 H new ATOM 0 HD13 LEU A 15 2.650 -18.247 2.358 1.00 0.34 H new ATOM 0 HD21 LEU A 15 5.277 -19.690 3.010 1.00 23.23 H new ATOM 0 HD22 LEU A 15 4.390 -18.707 4.199 1.00 23.23 H new ATOM 0 HD23 LEU A 15 4.800 -20.399 4.571 1.00 23.23 H new ATOM 288 N PRO A 16 2.166 -23.551 3.304 1.00 32.22 N ATOM 289 CA PRO A 16 3.206 -24.539 3.006 1.00 32.54 C ATOM 290 C PRO A 16 4.436 -23.866 2.402 1.00 21.24 C ATOM 291 O PRO A 16 4.274 -22.853 1.709 1.00 50.02 O ATOM 292 CB PRO A 16 2.537 -25.483 2.005 1.00 52.34 C ATOM 293 CG PRO A 16 1.464 -24.681 1.348 1.00 54.44 C ATOM 294 CD PRO A 16 1.037 -23.625 2.338 1.00 73.22 C ATOM 0 HA PRO A 16 3.564 -25.061 3.893 1.00 32.54 H new ATOM 0 HB2 PRO A 16 3.256 -25.850 1.272 1.00 52.34 H new ATOM 0 HB3 PRO A 16 2.121 -26.356 2.508 1.00 52.34 H new ATOM 0 HG2 PRO A 16 1.832 -24.223 0.430 1.00 54.44 H new ATOM 0 HG3 PRO A 16 0.621 -25.315 1.073 1.00 54.44 H new ATOM 0 HD2 PRO A 16 0.868 -22.666 1.849 1.00 73.22 H new ATOM 0 HD3 PRO A 16 0.106 -23.898 2.834 1.00 73.22 H new ATOM 302 N SER A 17 5.624 -24.477 2.644 1.00 10.01 N ATOM 303 CA SER A 17 6.978 -23.865 2.475 1.00 33.02 C ATOM 304 C SER A 17 7.055 -22.659 1.513 1.00 73.32 C ATOM 305 O SER A 17 6.967 -21.531 2.001 1.00 73.20 O ATOM 306 CB SER A 17 7.998 -24.940 2.068 1.00 51.33 C ATOM 307 OG SER A 17 8.072 -25.959 3.055 1.00 12.11 O ATOM 0 H SER A 17 5.673 -25.441 2.973 1.00 10.01 H new ATOM 0 HA SER A 17 7.220 -23.451 3.454 1.00 33.02 H new ATOM 0 HB2 SER A 17 7.713 -25.375 1.110 1.00 51.33 H new ATOM 0 HB3 SER A 17 8.979 -24.485 1.933 1.00 51.33 H new ATOM 0 HG SER A 17 8.725 -26.636 2.778 1.00 12.11 H new ATOM 313 N HIS A 18 7.167 -22.917 0.175 1.00 72.24 N ATOM 314 CA HIS A 18 7.219 -21.879 -0.895 1.00 51.43 C ATOM 315 C HIS A 18 8.308 -20.809 -0.615 1.00 22.20 C ATOM 316 O HIS A 18 9.461 -20.981 -0.992 1.00 0.40 O ATOM 317 CB HIS A 18 5.798 -21.259 -1.125 1.00 41.34 C ATOM 318 CG HIS A 18 5.666 -20.239 -2.253 1.00 13.44 C ATOM 319 ND1 HIS A 18 6.556 -20.133 -3.303 1.00 54.41 N ATOM 320 CD2 HIS A 18 4.740 -19.263 -2.454 1.00 33.22 C ATOM 321 CE1 HIS A 18 6.189 -19.139 -4.093 1.00 22.34 C ATOM 322 NE2 HIS A 18 5.089 -18.596 -3.605 1.00 13.41 N ATOM 0 H HIS A 18 7.224 -23.867 -0.193 1.00 72.24 H new ATOM 0 HA HIS A 18 7.516 -22.361 -1.826 1.00 51.43 H new ATOM 0 HB2 HIS A 18 5.100 -22.073 -1.320 1.00 41.34 H new ATOM 0 HB3 HIS A 18 5.481 -20.782 -0.197 1.00 41.34 H new ATOM 0 HD2 HIS A 18 3.888 -19.051 -1.825 1.00 33.22 H new ATOM 0 HE1 HIS A 18 6.703 -18.823 -4.989 1.00 22.34 H new ATOM 0 HE2 HIS A 18 4.582 -17.811 -4.014 1.00 13.41 H new ATOM 331 N VAL A 19 7.921 -19.729 0.054 1.00 53.30 N ATOM 332 CA VAL A 19 8.840 -18.685 0.445 1.00 71.33 C ATOM 333 C VAL A 19 9.238 -18.834 1.923 1.00 12.44 C ATOM 334 O VAL A 19 8.387 -18.841 2.812 1.00 13.15 O ATOM 335 CB VAL A 19 8.249 -17.267 0.167 1.00 71.24 C ATOM 336 CG1 VAL A 19 8.386 -16.914 -1.306 1.00 44.21 C ATOM 337 CG2 VAL A 19 6.771 -17.148 0.576 1.00 4.24 C ATOM 0 H VAL A 19 6.956 -19.559 0.338 1.00 53.30 H new ATOM 0 HA VAL A 19 9.738 -18.790 -0.164 1.00 71.33 H new ATOM 0 HB VAL A 19 8.822 -16.570 0.778 1.00 71.24 H new ATOM 0 HG11 VAL A 19 7.969 -15.922 -1.483 1.00 44.21 H new ATOM 0 HG12 VAL A 19 9.440 -16.920 -1.585 1.00 44.21 H new ATOM 0 HG13 VAL A 19 7.847 -17.646 -1.907 1.00 44.21 H new ATOM 0 HG21 VAL A 19 6.414 -16.141 0.360 1.00 4.24 H new ATOM 0 HG22 VAL A 19 6.179 -17.871 0.015 1.00 4.24 H new ATOM 0 HG23 VAL A 19 6.672 -17.347 1.643 1.00 4.24 H new ATOM 347 N SER A 20 10.538 -18.987 2.166 1.00 34.40 N ATOM 348 CA SER A 20 11.109 -18.948 3.524 1.00 41.51 C ATOM 349 C SER A 20 11.446 -17.489 3.850 1.00 23.21 C ATOM 350 O SER A 20 11.290 -16.680 2.987 1.00 55.15 O ATOM 351 CB SER A 20 12.357 -19.828 3.574 1.00 75.22 C ATOM 352 OG SER A 20 12.047 -21.155 3.203 1.00 62.24 O ATOM 0 H SER A 20 11.230 -19.142 1.433 1.00 34.40 H new ATOM 0 HA SER A 20 10.402 -19.329 4.261 1.00 41.51 H new ATOM 0 HB2 SER A 20 13.118 -19.426 2.905 1.00 75.22 H new ATOM 0 HB3 SER A 20 12.777 -19.815 4.580 1.00 75.22 H new ATOM 0 HG SER A 20 12.859 -21.703 3.239 1.00 62.24 H new ATOM 358 N SER A 21 11.938 -17.160 5.053 1.00 64.31 N ATOM 359 CA SER A 21 12.081 -15.748 5.524 1.00 10.13 C ATOM 360 C SER A 21 12.794 -14.801 4.512 1.00 72.14 C ATOM 361 O SER A 21 12.267 -13.721 4.173 1.00 20.32 O ATOM 362 CB SER A 21 12.854 -15.745 6.848 1.00 24.13 C ATOM 363 OG SER A 21 12.276 -16.644 7.785 1.00 62.10 O ATOM 0 H SER A 21 12.251 -17.851 5.735 1.00 64.31 H new ATOM 0 HA SER A 21 11.070 -15.357 5.642 1.00 10.13 H new ATOM 0 HB2 SER A 21 13.892 -16.023 6.666 1.00 24.13 H new ATOM 0 HB3 SER A 21 12.862 -14.738 7.265 1.00 24.13 H new ATOM 0 HG SER A 21 12.790 -16.623 8.619 1.00 62.10 H new ATOM 369 N ARG A 22 13.960 -15.248 4.014 1.00 61.23 N ATOM 370 CA ARG A 22 14.758 -14.528 2.994 1.00 5.44 C ATOM 371 C ARG A 22 13.994 -14.398 1.659 1.00 62.35 C ATOM 372 O ARG A 22 14.050 -13.365 0.973 1.00 13.12 O ATOM 373 CB ARG A 22 16.098 -15.293 2.809 1.00 22.35 C ATOM 374 CG ARG A 22 16.949 -14.870 1.608 1.00 0.32 C ATOM 375 CD ARG A 22 16.929 -15.911 0.479 1.00 52.34 C ATOM 376 NE ARG A 22 16.461 -15.342 -0.796 1.00 60.43 N ATOM 377 CZ ARG A 22 17.245 -14.748 -1.710 1.00 44.32 C ATOM 378 NH1 ARG A 22 18.560 -14.633 -1.517 1.00 4.32 N ATOM 379 NH2 ARG A 22 16.707 -14.257 -2.820 1.00 22.11 N ATOM 0 H ARG A 22 14.383 -16.128 4.308 1.00 61.23 H new ATOM 0 HA ARG A 22 14.953 -13.510 3.331 1.00 5.44 H new ATOM 0 HB2 ARG A 22 16.693 -15.168 3.714 1.00 22.35 H new ATOM 0 HB3 ARG A 22 15.877 -16.356 2.717 1.00 22.35 H new ATOM 0 HG2 ARG A 22 16.584 -13.917 1.226 1.00 0.32 H new ATOM 0 HG3 ARG A 22 17.977 -14.711 1.933 1.00 0.32 H new ATOM 0 HD2 ARG A 22 17.931 -16.319 0.346 1.00 52.34 H new ATOM 0 HD3 ARG A 22 16.282 -16.740 0.764 1.00 52.34 H new ATOM 0 HE ARG A 22 15.464 -15.404 -1.001 1.00 60.43 H new ATOM 0 HH11 ARG A 22 18.984 -14.999 -0.665 1.00 4.32 H new ATOM 0 HH12 ARG A 22 19.141 -14.179 -2.222 1.00 4.32 H new ATOM 0 HH21 ARG A 22 15.702 -14.332 -2.976 1.00 22.11 H new ATOM 0 HH22 ARG A 22 17.299 -13.805 -3.517 1.00 22.11 H new ATOM 393 N ASP A 23 13.291 -15.463 1.304 1.00 33.33 N ATOM 394 CA ASP A 23 12.551 -15.548 0.050 1.00 31.20 C ATOM 395 C ASP A 23 11.246 -14.751 0.114 1.00 74.21 C ATOM 396 O ASP A 23 10.821 -14.216 -0.892 1.00 33.41 O ATOM 397 CB ASP A 23 12.282 -17.011 -0.293 1.00 22.33 C ATOM 398 CG ASP A 23 12.684 -17.328 -1.716 1.00 54.41 C ATOM 399 OD1 ASP A 23 13.891 -17.216 -2.021 1.00 53.22 O ATOM 400 OD2 ASP A 23 11.801 -17.676 -2.523 1.00 13.33 O ATOM 0 H ASP A 23 13.216 -16.300 1.882 1.00 33.33 H new ATOM 0 HA ASP A 23 13.159 -15.106 -0.739 1.00 31.20 H new ATOM 0 HB2 ASP A 23 12.832 -17.654 0.394 1.00 22.33 H new ATOM 0 HB3 ASP A 23 11.223 -17.230 -0.155 1.00 22.33 H new ATOM 405 N VAL A 24 10.622 -14.679 1.302 1.00 50.31 N ATOM 406 CA VAL A 24 9.477 -13.796 1.557 1.00 71.45 C ATOM 407 C VAL A 24 9.938 -12.356 1.382 1.00 4.33 C ATOM 408 O VAL A 24 9.296 -11.574 0.674 1.00 54.30 O ATOM 409 CB VAL A 24 8.873 -13.954 2.999 1.00 65.33 C ATOM 410 CG1 VAL A 24 7.654 -13.078 3.191 1.00 4.54 C ATOM 411 CG2 VAL A 24 8.473 -15.372 3.316 1.00 25.04 C ATOM 0 H VAL A 24 10.900 -15.233 2.112 1.00 50.31 H new ATOM 0 HA VAL A 24 8.693 -14.070 0.851 1.00 71.45 H new ATOM 0 HB VAL A 24 9.672 -13.650 3.675 1.00 65.33 H new ATOM 0 HG11 VAL A 24 7.264 -13.214 4.200 1.00 4.54 H new ATOM 0 HG12 VAL A 24 7.930 -12.034 3.046 1.00 4.54 H new ATOM 0 HG13 VAL A 24 6.889 -13.355 2.466 1.00 4.54 H new ATOM 0 HG21 VAL A 24 8.063 -15.417 4.325 1.00 25.04 H new ATOM 0 HG22 VAL A 24 7.719 -15.706 2.603 1.00 25.04 H new ATOM 0 HG23 VAL A 24 9.347 -16.020 3.250 1.00 25.04 H new ATOM 421 N GLU A 25 11.093 -12.048 2.003 1.00 71.21 N ATOM 422 CA GLU A 25 11.716 -10.727 1.907 1.00 43.20 C ATOM 423 C GLU A 25 11.952 -10.309 0.443 1.00 14.41 C ATOM 424 O GLU A 25 11.508 -9.243 0.049 1.00 11.14 O ATOM 425 CB GLU A 25 13.034 -10.718 2.702 1.00 22.41 C ATOM 426 CG GLU A 25 13.763 -9.379 2.711 1.00 21.14 C ATOM 427 CD GLU A 25 15.118 -9.443 2.032 1.00 42.32 C ATOM 428 OE1 GLU A 25 16.108 -9.777 2.717 1.00 75.53 O ATOM 429 OE2 GLU A 25 15.194 -9.159 0.815 1.00 0.55 O ATOM 0 H GLU A 25 11.613 -12.709 2.581 1.00 71.21 H new ATOM 0 HA GLU A 25 11.033 -9.995 2.338 1.00 43.20 H new ATOM 0 HB2 GLU A 25 12.824 -11.009 3.731 1.00 22.41 H new ATOM 0 HB3 GLU A 25 13.699 -11.475 2.286 1.00 22.41 H new ATOM 0 HG2 GLU A 25 13.146 -8.631 2.212 1.00 21.14 H new ATOM 0 HG3 GLU A 25 13.893 -9.048 3.741 1.00 21.14 H new ATOM 436 N ASN A 26 12.589 -11.174 -0.360 1.00 41.43 N ATOM 437 CA ASN A 26 12.979 -10.829 -1.742 1.00 23.15 C ATOM 438 C ASN A 26 11.767 -10.794 -2.712 1.00 72.24 C ATOM 439 O ASN A 26 11.615 -9.832 -3.536 1.00 20.45 O ATOM 440 CB ASN A 26 14.041 -11.825 -2.225 1.00 13.52 C ATOM 441 CG ASN A 26 14.692 -11.406 -3.528 1.00 61.02 C ATOM 442 OD1 ASN A 26 14.280 -11.823 -4.608 1.00 64.05 O ATOM 443 ND2 ASN A 26 15.716 -10.565 -3.434 1.00 31.15 N ATOM 0 H ASN A 26 12.847 -12.120 -0.079 1.00 41.43 H new ATOM 0 HA ASN A 26 13.392 -9.820 -1.738 1.00 23.15 H new ATOM 0 HB2 ASN A 26 14.809 -11.930 -1.458 1.00 13.52 H new ATOM 0 HB3 ASN A 26 13.581 -12.805 -2.353 1.00 13.52 H new ATOM 0 HD21 ASN A 26 16.190 -10.242 -4.278 1.00 31.15 H new ATOM 0 HD22 ASN A 26 16.028 -10.242 -2.518 1.00 31.15 H new ATOM 450 N GLU A 27 10.894 -11.818 -2.579 1.00 33.35 N ATOM 451 CA GLU A 27 9.651 -11.941 -3.375 1.00 23.03 C ATOM 452 C GLU A 27 8.782 -10.720 -3.175 1.00 64.02 C ATOM 453 O GLU A 27 8.312 -10.123 -4.134 1.00 3.24 O ATOM 454 CB GLU A 27 8.839 -13.188 -2.950 1.00 30.41 C ATOM 455 CG GLU A 27 7.507 -13.407 -3.676 1.00 12.15 C ATOM 456 CD GLU A 27 7.663 -14.125 -4.998 1.00 63.21 C ATOM 457 OE1 GLU A 27 7.658 -15.376 -4.988 1.00 4.04 O ATOM 458 OE2 GLU A 27 7.772 -13.447 -6.040 1.00 52.03 O ATOM 0 H GLU A 27 11.031 -12.582 -1.917 1.00 33.35 H new ATOM 0 HA GLU A 27 9.940 -12.035 -4.422 1.00 23.03 H new ATOM 0 HB2 GLU A 27 9.461 -14.070 -3.102 1.00 30.41 H new ATOM 0 HB3 GLU A 27 8.639 -13.119 -1.881 1.00 30.41 H new ATOM 0 HG2 GLU A 27 6.840 -13.982 -3.034 1.00 12.15 H new ATOM 0 HG3 GLU A 27 7.031 -12.442 -3.848 1.00 12.15 H new ATOM 465 N PHE A 28 8.608 -10.315 -1.922 1.00 3.32 N ATOM 466 CA PHE A 28 7.796 -9.148 -1.640 1.00 71.15 C ATOM 467 C PHE A 28 8.543 -7.843 -1.911 1.00 5.33 C ATOM 468 O PHE A 28 7.886 -6.861 -2.223 1.00 55.31 O ATOM 469 CB PHE A 28 7.233 -9.179 -0.221 1.00 10.13 C ATOM 470 CG PHE A 28 6.052 -10.105 -0.056 1.00 42.45 C ATOM 471 CD1 PHE A 28 6.233 -11.445 0.238 1.00 50.32 C ATOM 472 CD2 PHE A 28 4.757 -9.628 -0.181 1.00 42.34 C ATOM 473 CE1 PHE A 28 5.155 -12.287 0.406 1.00 43.14 C ATOM 474 CE2 PHE A 28 3.675 -10.470 -0.017 1.00 50.13 C ATOM 475 CZ PHE A 28 3.875 -11.799 0.278 1.00 31.21 C ATOM 0 H PHE A 28 9.011 -10.770 -1.103 1.00 3.32 H new ATOM 0 HA PHE A 28 6.953 -9.183 -2.330 1.00 71.15 H new ATOM 0 HB2 PHE A 28 8.022 -9.485 0.467 1.00 10.13 H new ATOM 0 HB3 PHE A 28 6.935 -8.170 0.064 1.00 10.13 H new ATOM 0 HD1 PHE A 28 7.234 -11.837 0.337 1.00 50.32 H new ATOM 0 HD2 PHE A 28 4.592 -8.585 -0.409 1.00 42.34 H new ATOM 0 HE1 PHE A 28 5.315 -13.330 0.638 1.00 43.14 H new ATOM 0 HE2 PHE A 28 2.671 -10.085 -0.120 1.00 50.13 H new ATOM 0 HZ PHE A 28 3.029 -12.458 0.409 1.00 31.21 H new ATOM 485 N ARG A 29 9.900 -7.837 -1.851 1.00 3.42 N ATOM 486 CA ARG A 29 10.677 -6.604 -2.096 1.00 3.33 C ATOM 487 C ARG A 29 10.681 -6.202 -3.560 1.00 5.41 C ATOM 488 O ARG A 29 10.807 -5.003 -3.848 1.00 14.54 O ATOM 489 CB ARG A 29 12.135 -6.632 -1.526 1.00 4.53 C ATOM 490 CG ARG A 29 13.266 -7.286 -2.352 1.00 55.22 C ATOM 491 CD ARG A 29 13.968 -6.331 -3.341 1.00 73.20 C ATOM 492 NE ARG A 29 13.966 -4.918 -2.897 1.00 74.24 N ATOM 493 CZ ARG A 29 14.963 -4.293 -2.248 1.00 11.15 C ATOM 494 NH1 ARG A 29 16.078 -4.939 -1.924 1.00 60.22 N ATOM 495 NH2 ARG A 29 14.832 -3.011 -1.931 1.00 53.02 N ATOM 0 H ARG A 29 10.466 -8.659 -1.639 1.00 3.42 H new ATOM 0 HA ARG A 29 10.145 -5.839 -1.530 1.00 3.33 H new ATOM 0 HB2 ARG A 29 12.429 -5.601 -1.331 1.00 4.53 H new ATOM 0 HB3 ARG A 29 12.099 -7.141 -0.563 1.00 4.53 H new ATOM 0 HG2 ARG A 29 14.011 -7.692 -1.668 1.00 55.22 H new ATOM 0 HG3 ARG A 29 12.853 -8.127 -2.909 1.00 55.22 H new ATOM 0 HD2 ARG A 29 14.998 -6.658 -3.481 1.00 73.20 H new ATOM 0 HD3 ARG A 29 13.477 -6.400 -4.312 1.00 73.20 H new ATOM 0 HE ARG A 29 13.131 -4.369 -3.103 1.00 74.24 H new ATOM 0 HH11 ARG A 29 16.186 -5.923 -2.168 1.00 60.22 H new ATOM 0 HH12 ARG A 29 16.826 -4.450 -1.431 1.00 60.22 H new ATOM 0 HH21 ARG A 29 13.980 -2.509 -2.180 1.00 53.02 H new ATOM 0 HH22 ARG A 29 15.583 -2.528 -1.438 1.00 53.02 H new ATOM 509 N LYS A 30 10.566 -7.174 -4.494 1.00 2.35 N ATOM 510 CA LYS A 30 10.501 -6.784 -5.915 1.00 74.45 C ATOM 511 C LYS A 30 9.193 -6.032 -6.234 1.00 3.15 C ATOM 512 O LYS A 30 9.180 -5.158 -7.103 1.00 63.52 O ATOM 513 CB LYS A 30 10.719 -7.967 -6.891 1.00 45.51 C ATOM 514 CG LYS A 30 9.527 -8.915 -7.086 1.00 42.32 C ATOM 515 CD LYS A 30 9.071 -8.998 -8.551 1.00 30.00 C ATOM 516 CE LYS A 30 8.402 -7.711 -9.045 1.00 20.34 C ATOM 517 NZ LYS A 30 7.874 -7.832 -10.427 1.00 73.52 N ATOM 0 H LYS A 30 10.519 -8.175 -4.305 1.00 2.35 H new ATOM 0 HA LYS A 30 11.337 -6.103 -6.074 1.00 74.45 H new ATOM 0 HB2 LYS A 30 10.997 -7.561 -7.864 1.00 45.51 H new ATOM 0 HB3 LYS A 30 11.567 -8.552 -6.536 1.00 45.51 H new ATOM 0 HG2 LYS A 30 9.799 -9.911 -6.737 1.00 42.32 H new ATOM 0 HG3 LYS A 30 8.694 -8.577 -6.469 1.00 42.32 H new ATOM 0 HD2 LYS A 30 9.932 -9.218 -9.182 1.00 30.00 H new ATOM 0 HD3 LYS A 30 8.374 -9.829 -8.662 1.00 30.00 H new ATOM 0 HE2 LYS A 30 7.587 -7.449 -8.371 1.00 20.34 H new ATOM 0 HE3 LYS A 30 9.123 -6.894 -9.006 1.00 20.34 H new ATOM 0 HZ1 LYS A 30 7.433 -6.934 -10.710 1.00 73.52 H new ATOM 0 HZ2 LYS A 30 8.654 -8.055 -11.078 1.00 73.52 H new ATOM 0 HZ3 LYS A 30 7.165 -8.592 -10.463 1.00 73.52 H new ATOM 531 N TYR A 31 8.103 -6.362 -5.522 1.00 44.33 N ATOM 532 CA TYR A 31 6.817 -5.713 -5.763 1.00 11.22 C ATOM 533 C TYR A 31 6.676 -4.431 -4.925 1.00 31.24 C ATOM 534 O TYR A 31 6.159 -3.439 -5.409 1.00 33.12 O ATOM 535 CB TYR A 31 5.641 -6.666 -5.478 1.00 62.32 C ATOM 536 CG TYR A 31 5.581 -7.898 -6.368 1.00 0.42 C ATOM 537 CD1 TYR A 31 4.968 -7.862 -7.616 1.00 13.32 C ATOM 538 CD2 TYR A 31 6.106 -9.108 -5.942 1.00 0.14 C ATOM 539 CE1 TYR A 31 4.886 -9.002 -8.406 1.00 31.13 C ATOM 540 CE2 TYR A 31 6.033 -10.244 -6.723 1.00 23.22 C ATOM 541 CZ TYR A 31 5.420 -10.188 -7.948 1.00 3.32 C ATOM 542 OH TYR A 31 5.344 -11.319 -8.720 1.00 20.34 O ATOM 0 H TYR A 31 8.092 -7.067 -4.785 1.00 44.33 H new ATOM 0 HA TYR A 31 6.787 -5.442 -6.818 1.00 11.22 H new ATOM 0 HB2 TYR A 31 5.699 -6.990 -4.439 1.00 62.32 H new ATOM 0 HB3 TYR A 31 4.709 -6.112 -5.588 1.00 62.32 H new ATOM 0 HD1 TYR A 31 4.549 -6.934 -7.976 1.00 13.32 H new ATOM 0 HD2 TYR A 31 6.584 -9.163 -4.975 1.00 0.14 H new ATOM 0 HE1 TYR A 31 4.407 -8.960 -9.373 1.00 31.13 H new ATOM 0 HE2 TYR A 31 6.457 -11.173 -6.371 1.00 23.22 H new ATOM 0 HH TYR A 31 5.770 -12.066 -8.249 1.00 20.34 H new ATOM 552 N GLY A 32 7.188 -4.451 -3.694 1.00 73.20 N ATOM 553 CA GLY A 32 7.125 -3.289 -2.823 1.00 0.15 C ATOM 554 C GLY A 32 8.272 -3.268 -1.829 1.00 21.31 C ATOM 555 O GLY A 32 8.717 -4.317 -1.386 1.00 31.54 O ATOM 0 H GLY A 32 7.650 -5.262 -3.282 1.00 73.20 H new ATOM 0 HA2 GLY A 32 7.149 -2.381 -3.426 1.00 0.15 H new ATOM 0 HA3 GLY A 32 6.177 -3.289 -2.285 1.00 0.15 H new ATOM 559 N ASN A 33 8.747 -2.082 -1.458 1.00 1.20 N ATOM 560 CA ASN A 33 9.956 -1.959 -0.619 1.00 50.12 C ATOM 561 C ASN A 33 9.705 -2.326 0.848 1.00 53.23 C ATOM 562 O ASN A 33 9.122 -1.555 1.612 1.00 41.10 O ATOM 563 CB ASN A 33 10.563 -0.556 -0.712 1.00 32.20 C ATOM 564 CG ASN A 33 11.447 -0.352 -1.926 1.00 75.22 C ATOM 565 OD1 ASN A 33 12.089 -1.286 -2.417 1.00 35.23 O ATOM 566 ND2 ASN A 33 11.513 0.884 -2.397 1.00 33.24 N ATOM 0 H ASN A 33 8.323 -1.192 -1.719 1.00 1.20 H new ATOM 0 HA ASN A 33 10.669 -2.681 -1.018 1.00 50.12 H new ATOM 0 HB2 ASN A 33 9.757 0.178 -0.733 1.00 32.20 H new ATOM 0 HB3 ASN A 33 11.147 -0.362 0.188 1.00 32.20 H new ATOM 0 HD21 ASN A 33 12.111 1.094 -3.196 1.00 33.24 H new ATOM 0 HD22 ASN A 33 10.965 1.626 -1.961 1.00 33.24 H new ATOM 573 N ILE A 34 10.190 -3.514 1.222 1.00 74.02 N ATOM 574 CA ILE A 34 9.974 -4.091 2.554 1.00 73.43 C ATOM 575 C ILE A 34 10.883 -3.437 3.606 1.00 4.44 C ATOM 576 O ILE A 34 12.088 -3.258 3.402 1.00 53.32 O ATOM 577 CB ILE A 34 10.105 -5.669 2.519 1.00 15.35 C ATOM 578 CG1 ILE A 34 10.052 -6.322 3.934 1.00 15.40 C ATOM 579 CG2 ILE A 34 11.352 -6.105 1.760 1.00 52.22 C ATOM 580 CD1 ILE A 34 11.410 -6.625 4.583 1.00 11.43 C ATOM 0 H ILE A 34 10.747 -4.106 0.606 1.00 74.02 H new ATOM 0 HA ILE A 34 8.951 -3.870 2.859 1.00 73.43 H new ATOM 0 HB ILE A 34 9.230 -6.032 1.981 1.00 15.35 H new ATOM 0 HG12 ILE A 34 9.493 -5.662 4.597 1.00 15.40 H new ATOM 0 HG13 ILE A 34 9.489 -7.253 3.863 1.00 15.40 H new ATOM 0 HG21 ILE A 34 11.413 -7.193 1.754 1.00 52.22 H new ATOM 0 HG22 ILE A 34 11.300 -5.739 0.735 1.00 52.22 H new ATOM 0 HG23 ILE A 34 12.237 -5.695 2.247 1.00 52.22 H new ATOM 0 HD11 ILE A 34 11.252 -7.077 5.562 1.00 11.43 H new ATOM 0 HD12 ILE A 34 11.969 -7.315 3.951 1.00 11.43 H new ATOM 0 HD13 ILE A 34 11.974 -5.699 4.697 1.00 11.43 H new ATOM 592 N LEU A 35 10.252 -3.044 4.711 1.00 71.12 N ATOM 593 CA LEU A 35 10.935 -2.445 5.853 1.00 4.41 C ATOM 594 C LEU A 35 11.300 -3.510 6.900 1.00 5.30 C ATOM 595 O LEU A 35 12.441 -3.555 7.369 1.00 2.41 O ATOM 596 CB LEU A 35 10.037 -1.369 6.484 1.00 52.23 C ATOM 597 CG LEU A 35 9.514 -0.279 5.527 1.00 74.13 C ATOM 598 CD1 LEU A 35 8.540 0.637 6.253 1.00 74.14 C ATOM 599 CD2 LEU A 35 10.666 0.529 4.937 1.00 1.22 C ATOM 0 H LEU A 35 9.244 -3.134 4.839 1.00 71.12 H new ATOM 0 HA LEU A 35 11.860 -1.987 5.502 1.00 4.41 H new ATOM 0 HB2 LEU A 35 9.181 -1.862 6.944 1.00 52.23 H new ATOM 0 HB3 LEU A 35 10.594 -0.884 7.286 1.00 52.23 H new ATOM 0 HG LEU A 35 8.990 -0.769 4.706 1.00 74.13 H new ATOM 0 HD11 LEU A 35 8.179 1.402 5.566 1.00 74.14 H new ATOM 0 HD12 LEU A 35 7.697 0.053 6.622 1.00 74.14 H new ATOM 0 HD13 LEU A 35 9.046 1.114 7.093 1.00 74.14 H new ATOM 0 HD21 LEU A 35 10.270 1.291 4.266 1.00 1.22 H new ATOM 0 HD22 LEU A 35 11.223 1.009 5.741 1.00 1.22 H new ATOM 0 HD23 LEU A 35 11.329 -0.135 4.382 1.00 1.22 H new ATOM 611 N LYS A 36 10.334 -4.375 7.256 1.00 65.40 N ATOM 612 CA LYS A 36 10.603 -5.514 8.144 1.00 34.15 C ATOM 613 C LYS A 36 9.762 -6.724 7.715 1.00 73.41 C ATOM 614 O LYS A 36 8.626 -6.581 7.237 1.00 55.51 O ATOM 615 CB LYS A 36 10.370 -5.139 9.644 1.00 2.43 C ATOM 616 CG LYS A 36 8.929 -5.222 10.158 1.00 44.34 C ATOM 617 CD LYS A 36 8.681 -6.512 10.951 1.00 21.34 C ATOM 618 CE LYS A 36 7.203 -6.888 10.988 1.00 21.03 C ATOM 619 NZ LYS A 36 6.370 -5.869 11.679 1.00 1.43 N ATOM 0 H LYS A 36 9.366 -4.306 6.943 1.00 65.40 H new ATOM 0 HA LYS A 36 11.655 -5.785 8.054 1.00 34.15 H new ATOM 0 HB2 LYS A 36 10.989 -5.793 10.258 1.00 2.43 H new ATOM 0 HB3 LYS A 36 10.729 -4.122 9.800 1.00 2.43 H new ATOM 0 HG2 LYS A 36 8.719 -4.360 10.791 1.00 44.34 H new ATOM 0 HG3 LYS A 36 8.239 -5.175 9.315 1.00 44.34 H new ATOM 0 HD2 LYS A 36 9.251 -7.327 10.504 1.00 21.34 H new ATOM 0 HD3 LYS A 36 9.048 -6.387 11.970 1.00 21.34 H new ATOM 0 HE2 LYS A 36 6.840 -7.018 9.969 1.00 21.03 H new ATOM 0 HE3 LYS A 36 7.089 -7.848 11.492 1.00 21.03 H new ATOM 0 HZ1 LYS A 36 5.663 -6.345 12.275 1.00 1.43 H new ATOM 0 HZ2 LYS A 36 6.977 -5.269 12.273 1.00 1.43 H new ATOM 0 HZ3 LYS A 36 5.886 -5.279 10.972 1.00 1.43 H new ATOM 633 N CYS A 37 10.342 -7.912 7.849 1.00 55.40 N ATOM 634 CA CYS A 37 9.651 -9.147 7.516 1.00 73.13 C ATOM 635 C CYS A 37 9.832 -10.139 8.653 1.00 31.13 C ATOM 636 O CYS A 37 10.967 -10.478 9.003 1.00 63.31 O ATOM 637 CB CYS A 37 10.198 -9.742 6.218 1.00 3.40 C ATOM 638 SG CYS A 37 8.980 -10.644 5.261 1.00 53.13 S ATOM 0 H CYS A 37 11.295 -8.043 8.188 1.00 55.40 H new ATOM 0 HA CYS A 37 8.592 -8.933 7.373 1.00 73.13 H new ATOM 0 HB2 CYS A 37 10.605 -8.938 5.605 1.00 3.40 H new ATOM 0 HB3 CYS A 37 11.025 -10.410 6.457 1.00 3.40 H new ATOM 0 HG CYS A 37 9.534 -11.108 4.181 1.00 53.13 H new ATOM 644 N ASP A 38 8.729 -10.580 9.245 1.00 72.34 N ATOM 645 CA ASP A 38 8.814 -11.442 10.420 1.00 1.42 C ATOM 646 C ASP A 38 7.948 -12.693 10.258 1.00 2.43 C ATOM 647 O ASP A 38 6.763 -12.601 9.980 1.00 30.01 O ATOM 648 CB ASP A 38 8.423 -10.640 11.659 1.00 14.42 C ATOM 649 CG ASP A 38 8.722 -11.352 12.973 1.00 75.35 C ATOM 650 OD1 ASP A 38 9.606 -12.233 13.016 1.00 60.24 O ATOM 651 OD2 ASP A 38 8.089 -10.999 13.974 1.00 65.11 O ATOM 0 H ASP A 38 7.781 -10.361 8.939 1.00 72.34 H new ATOM 0 HA ASP A 38 9.841 -11.790 10.536 1.00 1.42 H new ATOM 0 HB2 ASP A 38 8.951 -9.687 11.645 1.00 14.42 H new ATOM 0 HB3 ASP A 38 7.358 -10.415 11.613 1.00 14.42 H new ATOM 656 N VAL A 39 8.560 -13.864 10.434 1.00 21.50 N ATOM 657 CA VAL A 39 7.875 -15.151 10.254 1.00 34.32 C ATOM 658 C VAL A 39 7.639 -15.821 11.620 1.00 60.23 C ATOM 659 O VAL A 39 8.586 -16.071 12.371 1.00 43.42 O ATOM 660 CB VAL A 39 8.685 -16.092 9.297 1.00 45.33 C ATOM 661 CG1 VAL A 39 8.009 -17.450 9.101 1.00 32.44 C ATOM 662 CG2 VAL A 39 8.895 -15.429 7.941 1.00 74.12 C ATOM 0 H VAL A 39 9.540 -13.951 10.704 1.00 21.50 H new ATOM 0 HA VAL A 39 6.907 -14.965 9.788 1.00 34.32 H new ATOM 0 HB VAL A 39 9.649 -16.265 9.775 1.00 45.33 H new ATOM 0 HG11 VAL A 39 8.611 -18.063 8.430 1.00 32.44 H new ATOM 0 HG12 VAL A 39 7.915 -17.952 10.064 1.00 32.44 H new ATOM 0 HG13 VAL A 39 7.019 -17.305 8.669 1.00 32.44 H new ATOM 0 HG21 VAL A 39 9.459 -16.099 7.292 1.00 74.12 H new ATOM 0 HG22 VAL A 39 7.927 -15.214 7.487 1.00 74.12 H new ATOM 0 HG23 VAL A 39 9.449 -14.499 8.072 1.00 74.12 H new ATOM 672 N LYS A 40 6.371 -16.088 11.936 1.00 4.40 N ATOM 673 CA LYS A 40 5.988 -16.709 13.216 1.00 53.11 C ATOM 674 C LYS A 40 5.524 -18.156 13.000 1.00 64.32 C ATOM 675 O LYS A 40 5.129 -18.521 11.900 1.00 2.41 O ATOM 676 CB LYS A 40 4.840 -15.925 13.882 1.00 73.12 C ATOM 677 CG LYS A 40 5.134 -14.465 14.214 1.00 61.24 C ATOM 678 CD LYS A 40 6.280 -14.312 15.203 1.00 22.22 C ATOM 679 CE LYS A 40 6.311 -12.907 15.778 1.00 23.30 C ATOM 680 NZ LYS A 40 7.599 -12.607 16.468 1.00 21.11 N ATOM 0 H LYS A 40 5.583 -15.884 11.322 1.00 4.40 H new ATOM 0 HA LYS A 40 6.867 -16.695 13.861 1.00 53.11 H new ATOM 0 HB2 LYS A 40 3.972 -15.960 13.223 1.00 73.12 H new ATOM 0 HB3 LYS A 40 4.562 -16.438 14.803 1.00 73.12 H new ATOM 0 HG2 LYS A 40 5.376 -13.929 13.296 1.00 61.24 H new ATOM 0 HG3 LYS A 40 4.238 -14.002 14.627 1.00 61.24 H new ATOM 0 HD2 LYS A 40 6.170 -15.037 16.009 1.00 22.22 H new ATOM 0 HD3 LYS A 40 7.226 -14.528 14.707 1.00 22.22 H new ATOM 0 HE2 LYS A 40 6.154 -12.185 14.977 1.00 23.30 H new ATOM 0 HE3 LYS A 40 5.487 -12.786 16.482 1.00 23.30 H new ATOM 0 HZ1 LYS A 40 7.405 -12.154 17.384 1.00 21.11 H new ATOM 0 HZ2 LYS A 40 8.124 -13.491 16.623 1.00 21.11 H new ATOM 0 HZ3 LYS A 40 8.167 -11.966 15.879 1.00 21.11 H new ATOM 694 N LYS A 41 5.588 -18.979 14.051 1.00 42.52 N ATOM 695 CA LYS A 41 5.026 -20.332 13.997 1.00 3.22 C ATOM 696 C LYS A 41 4.142 -20.609 15.226 1.00 61.05 C ATOM 697 O LYS A 41 4.381 -20.058 16.305 1.00 43.44 O ATOM 698 CB LYS A 41 6.139 -21.408 13.826 1.00 33.30 C ATOM 699 CG LYS A 41 6.916 -21.832 15.094 1.00 3.10 C ATOM 700 CD LYS A 41 7.881 -20.777 15.653 1.00 2.33 C ATOM 701 CE LYS A 41 9.043 -20.490 14.713 1.00 23.31 C ATOM 702 NZ LYS A 41 10.096 -19.656 15.361 1.00 2.14 N ATOM 0 H LYS A 41 6.020 -18.735 14.942 1.00 42.52 H new ATOM 0 HA LYS A 41 4.389 -20.395 13.115 1.00 3.22 H new ATOM 0 HB2 LYS A 41 5.683 -22.300 13.396 1.00 33.30 H new ATOM 0 HB3 LYS A 41 6.859 -21.035 13.098 1.00 33.30 H new ATOM 0 HG2 LYS A 41 6.197 -22.092 15.871 1.00 3.10 H new ATOM 0 HG3 LYS A 41 7.482 -22.736 14.868 1.00 3.10 H new ATOM 0 HD2 LYS A 41 7.334 -19.853 15.841 1.00 2.33 H new ATOM 0 HD3 LYS A 41 8.270 -21.118 16.612 1.00 2.33 H new ATOM 0 HE2 LYS A 41 9.480 -21.431 14.380 1.00 23.31 H new ATOM 0 HE3 LYS A 41 8.672 -19.979 13.824 1.00 23.31 H new ATOM 0 HZ1 LYS A 41 10.868 -19.485 14.685 1.00 2.14 H new ATOM 0 HZ2 LYS A 41 9.686 -18.747 15.656 1.00 2.14 H new ATOM 0 HZ3 LYS A 41 10.469 -20.154 16.194 1.00 2.14 H new ATOM 716 N THR A 42 3.097 -21.416 15.050 1.00 23.31 N ATOM 717 CA THR A 42 2.266 -21.862 16.172 1.00 21.13 C ATOM 718 C THR A 42 2.650 -23.295 16.574 1.00 31.10 C ATOM 719 O THR A 42 3.365 -23.987 15.837 1.00 42.33 O ATOM 720 CB THR A 42 0.734 -21.748 15.854 1.00 12.13 C ATOM 721 OG1 THR A 42 -0.061 -22.049 17.010 1.00 55.41 O ATOM 722 CG2 THR A 42 0.317 -22.660 14.708 1.00 53.55 C ATOM 0 H THR A 42 2.804 -21.776 14.142 1.00 23.31 H new ATOM 0 HA THR A 42 2.457 -21.199 17.016 1.00 21.13 H new ATOM 0 HB THR A 42 0.560 -20.715 15.554 1.00 12.13 H new ATOM 0 HG1 THR A 42 -1.011 -21.969 16.784 1.00 55.41 H new ATOM 0 HG21 THR A 42 -0.751 -22.547 14.524 1.00 53.55 H new ATOM 0 HG22 THR A 42 0.871 -22.391 13.809 1.00 53.55 H new ATOM 0 HG23 THR A 42 0.533 -23.696 14.970 1.00 53.55 H new ATOM 730 N VAL A 43 2.161 -23.718 17.744 1.00 41.53 N ATOM 731 CA VAL A 43 2.375 -25.070 18.279 1.00 24.51 C ATOM 732 C VAL A 43 1.506 -26.130 17.566 1.00 64.03 C ATOM 733 O VAL A 43 1.709 -27.329 17.752 1.00 20.01 O ATOM 734 CB VAL A 43 2.119 -25.134 19.819 1.00 72.52 C ATOM 735 CG1 VAL A 43 3.160 -24.320 20.575 1.00 10.15 C ATOM 736 CG2 VAL A 43 0.709 -24.663 20.193 1.00 24.23 C ATOM 0 H VAL A 43 1.599 -23.126 18.355 1.00 41.53 H new ATOM 0 HA VAL A 43 3.423 -25.302 18.087 1.00 24.51 H new ATOM 0 HB VAL A 43 2.205 -26.181 20.110 1.00 72.52 H new ATOM 0 HG11 VAL A 43 2.961 -24.379 21.645 1.00 10.15 H new ATOM 0 HG12 VAL A 43 4.154 -24.718 20.368 1.00 10.15 H new ATOM 0 HG13 VAL A 43 3.111 -23.279 20.254 1.00 10.15 H new ATOM 0 HG21 VAL A 43 0.579 -24.726 21.273 1.00 24.23 H new ATOM 0 HG22 VAL A 43 0.573 -23.631 19.871 1.00 24.23 H new ATOM 0 HG23 VAL A 43 -0.029 -25.297 19.701 1.00 24.23 H new ATOM 746 N SER A 44 0.541 -25.674 16.753 1.00 44.55 N ATOM 747 CA SER A 44 -0.314 -26.567 15.960 1.00 71.25 C ATOM 748 C SER A 44 0.409 -27.041 14.677 1.00 54.20 C ATOM 749 O SER A 44 -0.062 -27.959 14.000 1.00 32.42 O ATOM 750 CB SER A 44 -1.631 -25.850 15.605 1.00 41.14 C ATOM 751 OG SER A 44 -2.557 -26.719 14.968 1.00 45.33 O ATOM 0 H SER A 44 0.333 -24.683 16.628 1.00 44.55 H new ATOM 0 HA SER A 44 -0.538 -27.450 16.558 1.00 71.25 H new ATOM 0 HB2 SER A 44 -2.079 -25.445 16.513 1.00 41.14 H new ATOM 0 HB3 SER A 44 -1.418 -25.005 14.950 1.00 41.14 H new ATOM 0 HG SER A 44 -2.070 -27.395 14.452 1.00 45.33 H new ATOM 757 N GLY A 45 1.548 -26.412 14.356 1.00 44.24 N ATOM 758 CA GLY A 45 2.350 -26.828 13.210 1.00 22.31 C ATOM 759 C GLY A 45 2.209 -25.919 11.996 1.00 72.31 C ATOM 760 O GLY A 45 2.864 -26.146 10.978 1.00 21.11 O ATOM 0 H GLY A 45 1.928 -25.619 14.873 1.00 44.24 H new ATOM 0 HA2 GLY A 45 3.398 -26.863 13.506 1.00 22.31 H new ATOM 0 HA3 GLY A 45 2.065 -27.842 12.928 1.00 22.31 H new ATOM 764 N ALA A 46 1.360 -24.900 12.101 1.00 41.32 N ATOM 765 CA ALA A 46 1.152 -23.954 11.007 1.00 12.03 C ATOM 766 C ALA A 46 2.141 -22.794 11.072 1.00 74.31 C ATOM 767 O ALA A 46 2.497 -22.317 12.153 1.00 53.03 O ATOM 768 CB ALA A 46 -0.279 -23.435 11.008 1.00 72.30 C ATOM 0 H ALA A 46 0.804 -24.708 12.934 1.00 41.32 H new ATOM 0 HA ALA A 46 1.328 -24.489 10.074 1.00 12.03 H new ATOM 0 HB1 ALA A 46 -0.412 -22.732 10.185 1.00 72.30 H new ATOM 0 HB2 ALA A 46 -0.969 -24.270 10.887 1.00 72.30 H new ATOM 0 HB3 ALA A 46 -0.482 -22.930 11.953 1.00 72.30 H new ATOM 774 N ALA A 47 2.573 -22.356 9.899 1.00 1.10 N ATOM 775 CA ALA A 47 3.492 -21.235 9.770 1.00 52.32 C ATOM 776 C ALA A 47 2.761 -19.995 9.273 1.00 52.42 C ATOM 777 O ALA A 47 1.762 -20.092 8.556 1.00 15.23 O ATOM 778 CB ALA A 47 4.653 -21.596 8.849 1.00 65.14 C ATOM 0 H ALA A 47 2.296 -22.768 9.008 1.00 1.10 H new ATOM 0 HA ALA A 47 3.902 -21.010 10.755 1.00 52.32 H new ATOM 0 HB1 ALA A 47 5.329 -20.745 8.765 1.00 65.14 H new ATOM 0 HB2 ALA A 47 5.192 -22.449 9.261 1.00 65.14 H new ATOM 0 HB3 ALA A 47 4.268 -21.852 7.862 1.00 65.14 H new ATOM 784 N PHE A 48 3.262 -18.834 9.676 1.00 50.14 N ATOM 785 CA PHE A 48 2.649 -17.552 9.344 1.00 62.02 C ATOM 786 C PHE A 48 3.733 -16.596 8.893 1.00 1.52 C ATOM 787 O PHE A 48 4.867 -16.682 9.356 1.00 52.45 O ATOM 788 CB PHE A 48 1.977 -16.880 10.566 1.00 21.13 C ATOM 789 CG PHE A 48 1.166 -17.767 11.466 1.00 71.11 C ATOM 790 CD1 PHE A 48 -0.136 -18.119 11.150 1.00 73.12 C ATOM 791 CD2 PHE A 48 1.713 -18.231 12.645 1.00 62.24 C ATOM 792 CE1 PHE A 48 -0.870 -18.926 11.995 1.00 31.14 C ATOM 793 CE2 PHE A 48 0.991 -19.032 13.490 1.00 62.34 C ATOM 794 CZ PHE A 48 -0.305 -19.383 13.168 1.00 72.42 C ATOM 0 H PHE A 48 4.106 -18.754 10.243 1.00 50.14 H new ATOM 0 HA PHE A 48 1.900 -17.751 8.577 1.00 62.02 H new ATOM 0 HB2 PHE A 48 2.756 -16.409 11.166 1.00 21.13 H new ATOM 0 HB3 PHE A 48 1.329 -16.083 10.202 1.00 21.13 H new ATOM 0 HD1 PHE A 48 -0.581 -17.759 10.234 1.00 73.12 H new ATOM 0 HD2 PHE A 48 2.725 -17.959 12.905 1.00 62.24 H new ATOM 0 HE1 PHE A 48 -1.883 -19.199 11.739 1.00 31.14 H new ATOM 0 HE2 PHE A 48 1.435 -19.389 14.407 1.00 62.34 H new ATOM 0 HZ PHE A 48 -0.876 -20.014 13.833 1.00 72.42 H new ATOM 804 N ALA A 49 3.381 -15.669 8.017 1.00 72.14 N ATOM 805 CA ALA A 49 4.318 -14.635 7.620 1.00 5.01 C ATOM 806 C ALA A 49 3.683 -13.259 7.747 1.00 11.21 C ATOM 807 O ALA A 49 2.528 -13.054 7.374 1.00 61.32 O ATOM 808 CB ALA A 49 4.819 -14.879 6.198 1.00 22.44 C ATOM 0 H ALA A 49 2.465 -15.612 7.573 1.00 72.14 H new ATOM 0 HA ALA A 49 5.177 -14.673 8.290 1.00 5.01 H new ATOM 0 HB1 ALA A 49 5.520 -14.093 5.919 1.00 22.44 H new ATOM 0 HB2 ALA A 49 5.320 -15.846 6.150 1.00 22.44 H new ATOM 0 HB3 ALA A 49 3.975 -14.873 5.509 1.00 22.44 H new ATOM 814 N PHE A 50 4.453 -12.321 8.277 1.00 14.04 N ATOM 815 CA PHE A 50 4.037 -10.935 8.382 1.00 34.12 C ATOM 816 C PHE A 50 4.966 -10.090 7.547 1.00 63.42 C ATOM 817 O PHE A 50 6.187 -10.078 7.788 1.00 22.25 O ATOM 818 CB PHE A 50 4.070 -10.455 9.837 1.00 34.23 C ATOM 819 CG PHE A 50 2.729 -10.047 10.377 1.00 55.42 C ATOM 820 CD1 PHE A 50 1.873 -9.254 9.630 1.00 65.12 C ATOM 821 CD2 PHE A 50 2.325 -10.462 11.634 1.00 72.31 C ATOM 822 CE1 PHE A 50 0.644 -8.880 10.127 1.00 44.50 C ATOM 823 CE2 PHE A 50 1.095 -10.087 12.138 1.00 34.24 C ATOM 824 CZ PHE A 50 0.253 -9.295 11.382 1.00 35.22 C ATOM 0 H PHE A 50 5.386 -12.502 8.647 1.00 14.04 H new ATOM 0 HA PHE A 50 3.012 -10.844 8.023 1.00 34.12 H new ATOM 0 HB2 PHE A 50 4.475 -11.251 10.462 1.00 34.23 H new ATOM 0 HB3 PHE A 50 4.754 -9.610 9.914 1.00 34.23 H new ATOM 0 HD1 PHE A 50 2.173 -8.925 8.646 1.00 65.12 H new ATOM 0 HD2 PHE A 50 2.978 -11.085 12.227 1.00 72.31 H new ATOM 0 HE1 PHE A 50 -0.013 -8.262 9.533 1.00 44.50 H new ATOM 0 HE2 PHE A 50 0.792 -10.413 13.122 1.00 34.24 H new ATOM 0 HZ PHE A 50 -0.710 -9.001 11.773 1.00 35.22 H new ATOM 834 N ILE A 51 4.413 -9.391 6.559 1.00 11.41 N ATOM 835 CA ILE A 51 5.281 -8.647 5.635 1.00 24.53 C ATOM 836 C ILE A 51 4.963 -7.156 5.663 1.00 52.53 C ATOM 837 O ILE A 51 3.917 -6.739 5.175 1.00 71.43 O ATOM 838 CB ILE A 51 5.183 -9.149 4.160 1.00 14.15 C ATOM 839 CG1 ILE A 51 5.224 -10.681 4.046 1.00 3.42 C ATOM 840 CG2 ILE A 51 6.335 -8.576 3.348 1.00 41.55 C ATOM 841 CD1 ILE A 51 3.874 -11.376 4.068 1.00 65.13 C ATOM 0 H ILE A 51 3.412 -9.321 6.377 1.00 11.41 H new ATOM 0 HA ILE A 51 6.298 -8.824 5.986 1.00 24.53 H new ATOM 0 HB ILE A 51 4.221 -8.809 3.777 1.00 14.15 H new ATOM 0 HG12 ILE A 51 5.734 -10.945 3.119 1.00 3.42 H new ATOM 0 HG13 ILE A 51 5.828 -11.073 4.865 1.00 3.42 H new ATOM 0 HG21 ILE A 51 6.265 -8.928 2.319 1.00 41.55 H new ATOM 0 HG22 ILE A 51 6.285 -7.487 3.364 1.00 41.55 H new ATOM 0 HG23 ILE A 51 7.282 -8.902 3.779 1.00 41.55 H new ATOM 0 HD11 ILE A 51 4.018 -12.453 3.982 1.00 65.13 H new ATOM 0 HD12 ILE A 51 3.365 -11.152 5.005 1.00 65.13 H new ATOM 0 HD13 ILE A 51 3.269 -11.023 3.233 1.00 65.13 H new ATOM 853 N GLU A 52 5.890 -6.350 6.187 1.00 32.14 N ATOM 854 CA GLU A 52 5.621 -4.929 6.406 1.00 31.10 C ATOM 855 C GLU A 52 6.482 -4.044 5.502 1.00 62.45 C ATOM 856 O GLU A 52 7.688 -3.949 5.683 1.00 34.21 O ATOM 857 CB GLU A 52 5.862 -4.593 7.865 1.00 2.14 C ATOM 858 CG GLU A 52 5.368 -3.230 8.294 1.00 31.33 C ATOM 859 CD GLU A 52 5.609 -3.003 9.761 1.00 52.22 C ATOM 860 OE1 GLU A 52 4.846 -3.555 10.580 1.00 21.34 O ATOM 861 OE2 GLU A 52 6.584 -2.307 10.099 1.00 70.34 O ATOM 0 H GLU A 52 6.823 -6.654 6.464 1.00 32.14 H new ATOM 0 HA GLU A 52 4.580 -4.732 6.151 1.00 31.10 H new ATOM 0 HB2 GLU A 52 5.377 -5.350 8.482 1.00 2.14 H new ATOM 0 HB3 GLU A 52 6.932 -4.655 8.065 1.00 2.14 H new ATOM 0 HG2 GLU A 52 5.875 -2.458 7.715 1.00 31.33 H new ATOM 0 HG3 GLU A 52 4.303 -3.142 8.079 1.00 31.33 H new ATOM 868 N PHE A 53 5.834 -3.445 4.514 1.00 33.14 N ATOM 869 CA PHE A 53 6.483 -2.563 3.524 1.00 22.31 C ATOM 870 C PHE A 53 5.999 -1.118 3.642 1.00 22.21 C ATOM 871 O PHE A 53 5.048 -0.837 4.373 1.00 55.45 O ATOM 872 CB PHE A 53 6.295 -3.068 2.085 1.00 4.34 C ATOM 873 CG PHE A 53 5.133 -3.973 1.909 1.00 10.54 C ATOM 874 CD1 PHE A 53 3.848 -3.477 1.927 1.00 50.50 C ATOM 875 CD2 PHE A 53 5.337 -5.320 1.725 1.00 10.42 C ATOM 876 CE1 PHE A 53 2.781 -4.314 1.770 1.00 44.53 C ATOM 877 CE2 PHE A 53 4.274 -6.169 1.572 1.00 52.30 C ATOM 878 CZ PHE A 53 2.995 -5.661 1.592 1.00 23.51 C ATOM 0 H PHE A 53 4.831 -3.552 4.365 1.00 33.14 H new ATOM 0 HA PHE A 53 7.548 -2.586 3.753 1.00 22.31 H new ATOM 0 HB2 PHE A 53 6.178 -2.210 1.423 1.00 4.34 H new ATOM 0 HB3 PHE A 53 7.199 -3.590 1.773 1.00 4.34 H new ATOM 0 HD1 PHE A 53 3.684 -2.419 2.066 1.00 50.50 H new ATOM 0 HD2 PHE A 53 6.343 -5.711 1.701 1.00 10.42 H new ATOM 0 HE1 PHE A 53 1.775 -3.921 1.785 1.00 44.53 H new ATOM 0 HE2 PHE A 53 4.438 -7.228 1.437 1.00 52.30 H new ATOM 0 HZ PHE A 53 2.153 -6.325 1.467 1.00 23.51 H new ATOM 888 N GLU A 54 6.670 -0.208 2.923 1.00 70.21 N ATOM 889 CA GLU A 54 6.265 1.203 2.857 1.00 14.11 C ATOM 890 C GLU A 54 5.084 1.443 1.890 1.00 63.34 C ATOM 891 O GLU A 54 4.269 2.340 2.126 1.00 73.15 O ATOM 892 CB GLU A 54 7.460 2.117 2.506 1.00 14.43 C ATOM 893 CG GLU A 54 8.241 1.737 1.243 1.00 62.31 C ATOM 894 CD GLU A 54 9.487 2.592 1.030 1.00 11.33 C ATOM 895 OE1 GLU A 54 10.133 2.976 2.033 1.00 30.14 O ATOM 896 OE2 GLU A 54 9.844 2.851 -0.142 1.00 50.52 O ATOM 0 H GLU A 54 7.502 -0.426 2.375 1.00 70.21 H new ATOM 0 HA GLU A 54 5.913 1.466 3.855 1.00 14.11 H new ATOM 0 HB2 GLU A 54 7.092 3.136 2.390 1.00 14.43 H new ATOM 0 HB3 GLU A 54 8.150 2.121 3.350 1.00 14.43 H new ATOM 0 HG2 GLU A 54 8.533 0.689 1.305 1.00 62.31 H new ATOM 0 HG3 GLU A 54 7.588 1.835 0.376 1.00 62.31 H new ATOM 903 N ASP A 55 4.974 0.652 0.816 1.00 45.23 N ATOM 904 CA ASP A 55 3.869 0.832 -0.134 1.00 11.03 C ATOM 905 C ASP A 55 2.995 -0.417 -0.263 1.00 33.24 C ATOM 906 O ASP A 55 3.460 -1.514 -0.558 1.00 21.51 O ATOM 907 CB ASP A 55 4.359 1.304 -1.522 1.00 65.54 C ATOM 908 CG ASP A 55 5.667 0.676 -1.974 1.00 73.42 C ATOM 909 OD1 ASP A 55 5.717 -0.553 -2.132 1.00 3.12 O ATOM 910 OD2 ASP A 55 6.645 1.420 -2.161 1.00 55.32 O ATOM 0 H ASP A 55 5.620 -0.103 0.586 1.00 45.23 H new ATOM 0 HA ASP A 55 3.247 1.623 0.285 1.00 11.03 H new ATOM 0 HB2 ASP A 55 3.589 1.081 -2.261 1.00 65.54 H new ATOM 0 HB3 ASP A 55 4.478 2.387 -1.503 1.00 65.54 H new ATOM 915 N ALA A 56 1.704 -0.199 -0.035 1.00 12.24 N ATOM 916 CA ALA A 56 0.691 -1.251 -0.016 1.00 53.13 C ATOM 917 C ALA A 56 0.278 -1.739 -1.404 1.00 71.51 C ATOM 918 O ALA A 56 0.204 -2.942 -1.659 1.00 32.55 O ATOM 919 CB ALA A 56 -0.532 -0.733 0.732 1.00 30.41 C ATOM 0 H ALA A 56 1.324 0.730 0.145 1.00 12.24 H new ATOM 0 HA ALA A 56 1.132 -2.113 0.485 1.00 53.13 H new ATOM 0 HB1 ALA A 56 -1.299 -1.507 0.755 1.00 30.41 H new ATOM 0 HB2 ALA A 56 -0.250 -0.470 1.752 1.00 30.41 H new ATOM 0 HB3 ALA A 56 -0.922 0.149 0.224 1.00 30.41 H new ATOM 925 N ARG A 57 0.036 -0.780 -2.290 1.00 53.11 N ATOM 926 CA ARG A 57 -0.649 -1.012 -3.567 1.00 14.14 C ATOM 927 C ARG A 57 0.233 -1.684 -4.624 1.00 61.34 C ATOM 928 O ARG A 57 -0.282 -2.338 -5.530 1.00 3.23 O ATOM 929 CB ARG A 57 -1.231 0.317 -4.067 1.00 0.32 C ATOM 930 CG ARG A 57 -0.220 1.458 -4.174 1.00 51.12 C ATOM 931 CD ARG A 57 -0.903 2.814 -4.191 1.00 62.14 C ATOM 932 NE ARG A 57 -0.733 3.510 -5.457 1.00 23.25 N ATOM 933 CZ ARG A 57 -0.903 4.826 -5.627 1.00 0.25 C ATOM 934 NH1 ARG A 57 -1.250 5.613 -4.605 1.00 65.22 N ATOM 935 NH2 ARG A 57 -0.723 5.351 -6.827 1.00 11.42 N ATOM 0 H ARG A 57 0.310 0.192 -2.146 1.00 53.11 H new ATOM 0 HA ARG A 57 -1.455 -1.724 -3.390 1.00 14.14 H new ATOM 0 HB2 ARG A 57 -1.680 0.155 -5.047 1.00 0.32 H new ATOM 0 HB3 ARG A 57 -2.033 0.622 -3.395 1.00 0.32 H new ATOM 0 HG2 ARG A 57 0.473 1.410 -3.334 1.00 51.12 H new ATOM 0 HG3 ARG A 57 0.371 1.337 -5.082 1.00 51.12 H new ATOM 0 HD2 ARG A 57 -1.967 2.683 -3.992 1.00 62.14 H new ATOM 0 HD3 ARG A 57 -0.502 3.429 -3.386 1.00 62.14 H new ATOM 0 HE ARG A 57 -0.466 2.957 -6.271 1.00 23.25 H new ATOM 0 HH11 ARG A 57 -1.389 5.212 -3.677 1.00 65.22 H new ATOM 0 HH12 ARG A 57 -1.375 6.614 -4.752 1.00 65.22 H new ATOM 0 HH21 ARG A 57 -0.458 4.754 -7.610 1.00 11.42 H new ATOM 0 HH22 ARG A 57 -0.850 6.353 -6.969 1.00 11.42 H new ATOM 949 N ASP A 58 1.544 -1.522 -4.513 1.00 34.33 N ATOM 950 CA ASP A 58 2.480 -2.165 -5.438 1.00 0.41 C ATOM 951 C ASP A 58 2.720 -3.640 -5.071 1.00 74.14 C ATOM 952 O ASP A 58 2.858 -4.506 -5.935 1.00 23.41 O ATOM 953 CB ASP A 58 3.789 -1.387 -5.457 1.00 65.05 C ATOM 954 CG ASP A 58 3.919 -0.489 -6.677 1.00 4.32 C ATOM 955 OD1 ASP A 58 3.192 0.525 -6.762 1.00 51.03 O ATOM 956 OD2 ASP A 58 4.722 -0.811 -7.571 1.00 52.45 O ATOM 0 H ASP A 58 1.988 -0.952 -3.793 1.00 34.33 H new ATOM 0 HA ASP A 58 2.042 -2.155 -6.436 1.00 0.41 H new ATOM 0 HB2 ASP A 58 3.859 -0.780 -4.555 1.00 65.05 H new ATOM 0 HB3 ASP A 58 4.624 -2.087 -5.436 1.00 65.05 H new ATOM 961 N ALA A 59 2.729 -3.901 -3.765 1.00 73.02 N ATOM 962 CA ALA A 59 2.891 -5.244 -3.182 1.00 33.10 C ATOM 963 C ALA A 59 1.619 -6.103 -3.302 1.00 62.14 C ATOM 964 O ALA A 59 1.615 -7.336 -3.056 1.00 21.00 O ATOM 965 CB ALA A 59 3.363 -5.127 -1.762 1.00 13.52 C ATOM 0 H ALA A 59 2.622 -3.171 -3.061 1.00 73.02 H new ATOM 0 HA ALA A 59 3.651 -5.771 -3.759 1.00 33.10 H new ATOM 0 HB1 ALA A 59 3.481 -6.123 -1.335 1.00 13.52 H new ATOM 0 HB2 ALA A 59 4.320 -4.606 -1.738 1.00 13.52 H new ATOM 0 HB3 ALA A 59 2.631 -4.567 -1.180 1.00 13.52 H new ATOM 971 N ALA A 60 0.498 -5.410 -3.535 1.00 45.11 N ATOM 972 CA ALA A 60 -0.774 -6.054 -3.884 1.00 21.34 C ATOM 973 C ALA A 60 -0.656 -7.022 -5.088 1.00 74.33 C ATOM 974 O ALA A 60 -1.454 -7.946 -5.209 1.00 54.32 O ATOM 975 CB ALA A 60 -1.857 -5.011 -4.146 1.00 72.33 C ATOM 0 H ALA A 60 0.447 -4.392 -3.487 1.00 45.11 H new ATOM 0 HA ALA A 60 -1.057 -6.657 -3.021 1.00 21.34 H new ATOM 0 HB1 ALA A 60 -2.790 -5.512 -4.403 1.00 72.33 H new ATOM 0 HB2 ALA A 60 -2.004 -4.406 -3.251 1.00 72.33 H new ATOM 0 HB3 ALA A 60 -1.551 -4.368 -4.972 1.00 72.33 H new ATOM 981 N ASP A 61 0.323 -6.787 -5.983 1.00 53.43 N ATOM 982 CA ASP A 61 0.643 -7.704 -7.084 1.00 73.41 C ATOM 983 C ASP A 61 1.273 -9.011 -6.571 1.00 65.31 C ATOM 984 O ASP A 61 1.028 -10.088 -7.133 1.00 22.21 O ATOM 985 CB ASP A 61 1.564 -7.004 -8.082 1.00 0.30 C ATOM 986 CG ASP A 61 0.892 -6.772 -9.426 1.00 43.35 C ATOM 987 OD1 ASP A 61 -0.083 -5.994 -9.485 1.00 74.24 O ATOM 988 OD2 ASP A 61 1.341 -7.372 -10.429 1.00 63.21 O ATOM 0 H ASP A 61 0.912 -5.955 -5.959 1.00 53.43 H new ATOM 0 HA ASP A 61 -0.285 -7.977 -7.586 1.00 73.41 H new ATOM 0 HB2 ASP A 61 1.883 -6.047 -7.668 1.00 0.30 H new ATOM 0 HB3 ASP A 61 2.462 -7.605 -8.227 1.00 0.30 H new ATOM 993 N ALA A 62 2.067 -8.919 -5.500 1.00 4.35 N ATOM 994 CA ALA A 62 2.584 -10.109 -4.807 1.00 21.50 C ATOM 995 C ALA A 62 1.448 -10.874 -4.147 1.00 51.41 C ATOM 996 O ALA A 62 1.331 -12.101 -4.317 1.00 70.02 O ATOM 997 CB ALA A 62 3.616 -9.740 -3.752 1.00 31.43 C ATOM 0 H ALA A 62 2.367 -8.034 -5.092 1.00 4.35 H new ATOM 0 HA ALA A 62 3.065 -10.736 -5.558 1.00 21.50 H new ATOM 0 HB1 ALA A 62 3.975 -10.645 -3.262 1.00 31.43 H new ATOM 0 HB2 ALA A 62 4.453 -9.228 -4.226 1.00 31.43 H new ATOM 0 HB3 ALA A 62 3.160 -9.082 -3.012 1.00 31.43 H new ATOM 1003 N ILE A 63 0.596 -10.153 -3.406 1.00 2.23 N ATOM 1004 CA ILE A 63 -0.525 -10.803 -2.729 1.00 14.33 C ATOM 1005 C ILE A 63 -1.509 -11.428 -3.756 1.00 64.14 C ATOM 1006 O ILE A 63 -2.113 -12.453 -3.465 1.00 34.55 O ATOM 1007 CB ILE A 63 -1.200 -9.858 -1.673 1.00 43.44 C ATOM 1008 CG1 ILE A 63 -1.667 -10.649 -0.411 1.00 53.12 C ATOM 1009 CG2 ILE A 63 -2.352 -9.042 -2.255 1.00 4.55 C ATOM 1010 CD1 ILE A 63 -2.969 -11.434 -0.525 1.00 2.45 C ATOM 0 H ILE A 63 0.661 -9.145 -3.264 1.00 2.23 H new ATOM 0 HA ILE A 63 -0.140 -11.638 -2.144 1.00 14.33 H new ATOM 0 HB ILE A 63 -0.430 -9.149 -1.370 1.00 43.44 H new ATOM 0 HG12 ILE A 63 -0.875 -11.346 -0.136 1.00 53.12 H new ATOM 0 HG13 ILE A 63 -1.769 -9.942 0.412 1.00 53.12 H new ATOM 0 HG21 ILE A 63 -2.778 -8.408 -1.477 1.00 4.55 H new ATOM 0 HG22 ILE A 63 -1.982 -8.418 -3.069 1.00 4.55 H new ATOM 0 HG23 ILE A 63 -3.120 -9.716 -2.635 1.00 4.55 H new ATOM 0 HD11 ILE A 63 -3.176 -11.935 0.421 1.00 2.45 H new ATOM 0 HD12 ILE A 63 -3.786 -10.752 -0.760 1.00 2.45 H new ATOM 0 HD13 ILE A 63 -2.878 -12.177 -1.317 1.00 2.45 H new ATOM 1022 N LYS A 64 -1.646 -10.848 -4.961 1.00 25.22 N ATOM 1023 CA LYS A 64 -2.426 -11.507 -6.014 1.00 53.41 C ATOM 1024 C LYS A 64 -1.640 -12.635 -6.725 1.00 10.40 C ATOM 1025 O LYS A 64 -2.259 -13.493 -7.359 1.00 21.52 O ATOM 1026 CB LYS A 64 -3.056 -10.510 -7.012 1.00 74.43 C ATOM 1027 CG LYS A 64 -2.073 -9.808 -7.923 1.00 71.13 C ATOM 1028 CD LYS A 64 -2.049 -10.367 -9.343 1.00 30.53 C ATOM 1029 CE LYS A 64 -0.907 -9.745 -10.123 1.00 63.30 C ATOM 1030 NZ LYS A 64 -0.928 -10.098 -11.564 1.00 22.32 N ATOM 0 H LYS A 64 -1.239 -9.950 -5.222 1.00 25.22 H new ATOM 0 HA LYS A 64 -3.259 -11.989 -5.503 1.00 53.41 H new ATOM 0 HB2 LYS A 64 -3.780 -11.044 -7.627 1.00 74.43 H new ATOM 0 HB3 LYS A 64 -3.609 -9.757 -6.450 1.00 74.43 H new ATOM 0 HG2 LYS A 64 -2.321 -8.747 -7.963 1.00 71.13 H new ATOM 0 HG3 LYS A 64 -1.074 -9.885 -7.494 1.00 71.13 H new ATOM 0 HD2 LYS A 64 -1.934 -11.451 -9.315 1.00 30.53 H new ATOM 0 HD3 LYS A 64 -2.996 -10.160 -9.841 1.00 30.53 H new ATOM 0 HE2 LYS A 64 -0.952 -8.661 -10.020 1.00 63.30 H new ATOM 0 HE3 LYS A 64 0.040 -10.067 -9.690 1.00 63.30 H new ATOM 0 HZ1 LYS A 64 -0.125 -9.644 -12.044 1.00 22.32 H new ATOM 0 HZ2 LYS A 64 -0.857 -11.130 -11.670 1.00 22.32 H new ATOM 0 HZ3 LYS A 64 -1.817 -9.767 -11.990 1.00 22.32 H new ATOM 1044 N GLU A 65 -0.295 -12.630 -6.662 1.00 1.22 N ATOM 1045 CA GLU A 65 0.477 -13.780 -7.158 1.00 73.41 C ATOM 1046 C GLU A 65 0.283 -15.005 -6.233 1.00 54.14 C ATOM 1047 O GLU A 65 0.188 -16.125 -6.744 1.00 23.10 O ATOM 1048 CB GLU A 65 1.983 -13.427 -7.438 1.00 73.12 C ATOM 1049 CG GLU A 65 3.041 -13.815 -6.376 1.00 22.44 C ATOM 1050 CD GLU A 65 3.508 -15.271 -6.445 1.00 70.41 C ATOM 1051 OE1 GLU A 65 3.826 -15.747 -7.557 1.00 12.03 O ATOM 1052 OE2 GLU A 65 3.518 -15.946 -5.383 1.00 64.12 O ATOM 0 H GLU A 65 0.264 -11.866 -6.284 1.00 1.22 H new ATOM 0 HA GLU A 65 0.080 -14.057 -8.135 1.00 73.41 H new ATOM 0 HB2 GLU A 65 2.266 -13.902 -8.377 1.00 73.12 H new ATOM 0 HB3 GLU A 65 2.048 -12.350 -7.593 1.00 73.12 H new ATOM 0 HG2 GLU A 65 3.907 -13.163 -6.490 1.00 22.44 H new ATOM 0 HG3 GLU A 65 2.628 -13.626 -5.385 1.00 22.44 H new ATOM 1059 N LYS A 66 0.188 -14.830 -4.891 1.00 62.34 N ATOM 1060 CA LYS A 66 -0.123 -16.017 -4.044 1.00 63.41 C ATOM 1061 C LYS A 66 -1.615 -16.119 -3.607 1.00 31.30 C ATOM 1062 O LYS A 66 -1.957 -16.942 -2.765 1.00 32.44 O ATOM 1063 CB LYS A 66 0.859 -16.228 -2.851 1.00 23.23 C ATOM 1064 CG LYS A 66 1.015 -15.094 -1.818 1.00 2.32 C ATOM 1065 CD LYS A 66 2.070 -14.044 -2.179 1.00 40.41 C ATOM 1066 CE LYS A 66 3.481 -14.594 -2.406 1.00 34.53 C ATOM 1067 NZ LYS A 66 4.046 -15.278 -1.213 1.00 61.32 N ATOM 0 H LYS A 66 0.311 -13.947 -4.396 1.00 62.34 H new ATOM 0 HA LYS A 66 0.045 -16.857 -4.718 1.00 63.41 H new ATOM 0 HB2 LYS A 66 0.543 -17.123 -2.316 1.00 23.23 H new ATOM 0 HB3 LYS A 66 1.845 -16.437 -3.266 1.00 23.23 H new ATOM 0 HG2 LYS A 66 0.053 -14.596 -1.696 1.00 2.32 H new ATOM 0 HG3 LYS A 66 1.272 -15.532 -0.853 1.00 2.32 H new ATOM 0 HD2 LYS A 66 1.749 -13.525 -3.082 1.00 40.41 H new ATOM 0 HD3 LYS A 66 2.110 -13.302 -1.382 1.00 40.41 H new ATOM 0 HE2 LYS A 66 3.460 -15.294 -3.241 1.00 34.53 H new ATOM 0 HE3 LYS A 66 4.141 -13.775 -2.693 1.00 34.53 H new ATOM 0 HZ1 LYS A 66 4.931 -15.757 -1.474 1.00 61.32 H new ATOM 0 HZ2 LYS A 66 4.238 -14.577 -0.469 1.00 61.32 H new ATOM 0 HZ3 LYS A 66 3.364 -15.979 -0.860 1.00 61.32 H new ATOM 1081 N ASP A 67 -2.472 -15.302 -4.247 1.00 21.52 N ATOM 1082 CA ASP A 67 -3.976 -15.322 -4.165 1.00 23.31 C ATOM 1083 C ASP A 67 -4.612 -16.707 -4.421 1.00 40.42 C ATOM 1084 O ASP A 67 -4.051 -17.531 -5.157 1.00 21.34 O ATOM 1085 CB ASP A 67 -4.554 -14.251 -5.110 1.00 35.12 C ATOM 1086 CG ASP A 67 -6.071 -14.247 -5.277 1.00 61.24 C ATOM 1087 OD1 ASP A 67 -6.777 -14.022 -4.267 1.00 22.55 O ATOM 1088 OD2 ASP A 67 -6.553 -14.454 -6.412 1.00 30.01 O ATOM 0 H ASP A 67 -2.136 -14.568 -4.870 1.00 21.52 H new ATOM 0 HA ASP A 67 -4.238 -15.089 -3.133 1.00 23.31 H new ATOM 0 HB2 ASP A 67 -4.247 -13.271 -4.745 1.00 35.12 H new ATOM 0 HB3 ASP A 67 -4.102 -14.381 -6.093 1.00 35.12 H new ATOM 1093 N GLY A 68 -5.807 -16.955 -3.844 1.00 3.32 N ATOM 1094 CA GLY A 68 -6.298 -18.312 -3.777 1.00 13.10 C ATOM 1095 C GLY A 68 -6.431 -18.855 -2.352 1.00 63.35 C ATOM 1096 O GLY A 68 -6.322 -20.062 -2.147 1.00 34.31 O ATOM 0 H GLY A 68 -6.418 -16.248 -3.436 1.00 3.32 H new ATOM 0 HA2 GLY A 68 -7.271 -18.360 -4.266 1.00 13.10 H new ATOM 0 HA3 GLY A 68 -5.626 -18.959 -4.340 1.00 13.10 H new ATOM 1100 N CYS A 69 -6.606 -17.942 -1.365 1.00 13.05 N ATOM 1101 CA CYS A 69 -6.607 -18.291 0.074 1.00 13.10 C ATOM 1102 C CYS A 69 -7.685 -19.324 0.445 1.00 22.23 C ATOM 1103 O CYS A 69 -8.860 -19.224 0.063 1.00 62.30 O ATOM 1104 CB CYS A 69 -6.803 -17.010 0.911 1.00 74.40 C ATOM 1105 SG CYS A 69 -8.212 -15.980 0.411 1.00 74.33 S ATOM 0 H CYS A 69 -6.750 -16.948 -1.545 1.00 13.05 H new ATOM 0 HA CYS A 69 -5.643 -18.751 0.293 1.00 13.10 H new ATOM 0 HB2 CYS A 69 -6.930 -17.292 1.956 1.00 74.40 H new ATOM 0 HB3 CYS A 69 -5.894 -16.411 0.851 1.00 74.40 H new ATOM 0 HG CYS A 69 -8.281 -14.936 1.182 1.00 74.33 H new ATOM 1111 N ASP A 70 -7.236 -20.317 1.219 1.00 73.23 N ATOM 1112 CA ASP A 70 -8.030 -21.493 1.531 1.00 12.40 C ATOM 1113 C ASP A 70 -7.983 -21.885 3.006 1.00 11.34 C ATOM 1114 O ASP A 70 -6.918 -21.802 3.666 1.00 52.21 O ATOM 1115 CB ASP A 70 -7.592 -22.653 0.649 1.00 65.41 C ATOM 1116 CG ASP A 70 -8.639 -23.010 -0.386 1.00 71.41 C ATOM 1117 OD1 ASP A 70 -9.729 -23.471 0.010 1.00 22.32 O ATOM 1118 OD2 ASP A 70 -8.375 -22.828 -1.594 1.00 12.44 O ATOM 0 H ASP A 70 -6.309 -20.321 1.644 1.00 73.23 H new ATOM 0 HA ASP A 70 -9.070 -21.241 1.325 1.00 12.40 H new ATOM 0 HB2 ASP A 70 -6.660 -22.394 0.147 1.00 65.41 H new ATOM 0 HB3 ASP A 70 -7.387 -23.524 1.272 1.00 65.41 H new ATOM 1123 N PHE A 71 -9.151 -22.377 3.455 1.00 62.42 N ATOM 1124 CA PHE A 71 -9.471 -22.699 4.856 1.00 5.20 C ATOM 1125 C PHE A 71 -10.367 -23.965 4.941 1.00 65.54 C ATOM 1126 O PHE A 71 -11.113 -24.235 3.996 1.00 62.53 O ATOM 1127 CB PHE A 71 -10.104 -21.496 5.608 1.00 62.35 C ATOM 1128 CG PHE A 71 -11.491 -21.091 5.170 1.00 45.33 C ATOM 1129 CD1 PHE A 71 -11.680 -20.282 4.060 1.00 54.01 C ATOM 1130 CD2 PHE A 71 -12.604 -21.507 5.889 1.00 71.51 C ATOM 1131 CE1 PHE A 71 -12.949 -19.901 3.674 1.00 23.24 C ATOM 1132 CE2 PHE A 71 -13.876 -21.130 5.503 1.00 54.24 C ATOM 1133 CZ PHE A 71 -14.047 -20.326 4.396 1.00 15.21 C ATOM 0 H PHE A 71 -9.930 -22.569 2.825 1.00 62.42 H new ATOM 0 HA PHE A 71 -8.530 -22.917 5.362 1.00 5.20 H new ATOM 0 HB2 PHE A 71 -10.137 -21.735 6.671 1.00 62.35 H new ATOM 0 HB3 PHE A 71 -9.444 -20.636 5.495 1.00 62.35 H new ATOM 0 HD1 PHE A 71 -10.825 -19.946 3.492 1.00 54.01 H new ATOM 0 HD2 PHE A 71 -12.474 -22.132 6.760 1.00 71.51 H new ATOM 0 HE1 PHE A 71 -13.083 -19.271 2.807 1.00 23.24 H new ATOM 0 HE2 PHE A 71 -14.734 -21.464 6.067 1.00 54.24 H new ATOM 0 HZ PHE A 71 -15.040 -20.028 4.093 1.00 15.21 H new ATOM 1143 N GLU A 72 -10.206 -24.765 6.035 1.00 23.33 N ATOM 1144 CA GLU A 72 -11.061 -25.958 6.334 1.00 61.33 C ATOM 1145 C GLU A 72 -10.759 -27.173 5.430 1.00 34.34 C ATOM 1146 O GLU A 72 -11.547 -27.568 4.564 1.00 12.25 O ATOM 1147 CB GLU A 72 -12.577 -25.628 6.324 1.00 33.05 C ATOM 1148 CG GLU A 72 -13.427 -26.590 7.157 1.00 22.30 C ATOM 1149 CD GLU A 72 -14.916 -26.343 7.039 1.00 60.12 C ATOM 1150 OE1 GLU A 72 -15.388 -25.291 7.515 1.00 70.42 O ATOM 1151 OE2 GLU A 72 -15.624 -27.228 6.501 1.00 53.21 O ATOM 0 H GLU A 72 -9.482 -24.603 6.735 1.00 23.33 H new ATOM 0 HA GLU A 72 -10.790 -26.244 7.351 1.00 61.33 H new ATOM 0 HB2 GLU A 72 -12.721 -24.615 6.699 1.00 33.05 H new ATOM 0 HB3 GLU A 72 -12.935 -25.641 5.294 1.00 33.05 H new ATOM 0 HG2 GLU A 72 -13.211 -27.613 6.848 1.00 22.30 H new ATOM 0 HG3 GLU A 72 -13.135 -26.506 8.204 1.00 22.30 H new ATOM 1158 N GLY A 73 -9.550 -27.701 5.609 1.00 53.42 N ATOM 1159 CA GLY A 73 -9.095 -28.882 4.880 1.00 71.43 C ATOM 1160 C GLY A 73 -8.222 -28.550 3.685 1.00 3.10 C ATOM 1161 O GLY A 73 -7.596 -29.433 3.102 1.00 61.52 O ATOM 0 H GLY A 73 -8.861 -27.324 6.260 1.00 53.42 H new ATOM 0 HA2 GLY A 73 -8.539 -29.528 5.559 1.00 71.43 H new ATOM 0 HA3 GLY A 73 -9.963 -29.448 4.541 1.00 71.43 H new ATOM 1165 N ASN A 74 -8.163 -27.278 3.340 1.00 61.13 N ATOM 1166 CA ASN A 74 -7.105 -26.758 2.495 1.00 10.05 C ATOM 1167 C ASN A 74 -6.375 -25.700 3.297 1.00 72.11 C ATOM 1168 O ASN A 74 -7.000 -24.805 3.851 1.00 21.50 O ATOM 1169 CB ASN A 74 -7.667 -26.167 1.195 1.00 4.33 C ATOM 1170 CG ASN A 74 -8.292 -27.199 0.275 1.00 61.33 C ATOM 1171 OD1 ASN A 74 -9.485 -27.492 0.361 1.00 73.31 O ATOM 1172 ND2 ASN A 74 -7.486 -27.753 -0.616 1.00 35.32 N ATOM 0 H ASN A 74 -8.844 -26.579 3.636 1.00 61.13 H new ATOM 0 HA ASN A 74 -6.427 -27.559 2.202 1.00 10.05 H new ATOM 0 HB2 ASN A 74 -8.415 -25.414 1.443 1.00 4.33 H new ATOM 0 HB3 ASN A 74 -6.865 -25.657 0.662 1.00 4.33 H new ATOM 0 HD21 ASN A 74 -7.847 -28.452 -1.266 1.00 35.32 H new ATOM 0 HD22 ASN A 74 -6.504 -27.481 -0.653 1.00 35.32 H new ATOM 1179 N LYS A 75 -5.076 -25.877 3.473 1.00 65.23 N ATOM 1180 CA LYS A 75 -4.261 -24.918 4.216 1.00 22.14 C ATOM 1181 C LYS A 75 -3.590 -23.935 3.268 1.00 32.43 C ATOM 1182 O LYS A 75 -2.583 -24.302 2.657 1.00 22.51 O ATOM 1183 CB LYS A 75 -3.196 -25.648 5.059 1.00 71.12 C ATOM 1184 CG LYS A 75 -3.652 -26.101 6.450 1.00 65.24 C ATOM 1185 CD LYS A 75 -4.650 -27.264 6.415 1.00 74.41 C ATOM 1186 CE LYS A 75 -5.993 -26.872 7.017 1.00 55.20 C ATOM 1187 NZ LYS A 75 -5.876 -26.518 8.457 1.00 41.54 N ATOM 0 H LYS A 75 -4.558 -26.678 3.112 1.00 65.23 H new ATOM 0 HA LYS A 75 -4.919 -24.364 4.886 1.00 22.14 H new ATOM 0 HB2 LYS A 75 -2.856 -26.523 4.505 1.00 71.12 H new ATOM 0 HB3 LYS A 75 -2.335 -24.989 5.175 1.00 71.12 H new ATOM 0 HG2 LYS A 75 -2.779 -26.398 7.031 1.00 65.24 H new ATOM 0 HG3 LYS A 75 -4.107 -25.257 6.968 1.00 65.24 H new ATOM 0 HD2 LYS A 75 -4.794 -27.589 5.385 1.00 74.41 H new ATOM 0 HD3 LYS A 75 -4.239 -28.112 6.962 1.00 74.41 H new ATOM 0 HE2 LYS A 75 -6.403 -26.025 6.468 1.00 55.20 H new ATOM 0 HE3 LYS A 75 -6.696 -27.697 6.902 1.00 55.20 H new ATOM 0 HZ1 LYS A 75 -6.800 -26.637 8.920 1.00 41.54 H new ATOM 0 HZ2 LYS A 75 -5.178 -27.140 8.912 1.00 41.54 H new ATOM 0 HZ3 LYS A 75 -5.569 -25.529 8.547 1.00 41.54 H new ATOM 1201 N LEU A 76 -4.112 -22.692 3.147 1.00 44.41 N ATOM 1202 CA LEU A 76 -3.481 -21.711 2.234 1.00 12.51 C ATOM 1203 C LEU A 76 -3.958 -20.270 2.467 1.00 51.52 C ATOM 1204 O LEU A 76 -4.426 -19.641 1.537 1.00 15.43 O ATOM 1205 CB LEU A 76 -3.771 -22.113 0.766 1.00 22.52 C ATOM 1206 CG LEU A 76 -2.554 -22.555 -0.059 1.00 64.32 C ATOM 1207 CD1 LEU A 76 -2.974 -23.541 -1.137 1.00 2.14 C ATOM 1208 CD2 LEU A 76 -1.861 -21.358 -0.694 1.00 73.14 C ATOM 0 H LEU A 76 -4.934 -22.354 3.647 1.00 44.41 H new ATOM 0 HA LEU A 76 -2.411 -21.730 2.442 1.00 12.51 H new ATOM 0 HB2 LEU A 76 -4.499 -22.925 0.768 1.00 22.52 H new ATOM 0 HB3 LEU A 76 -4.239 -21.267 0.263 1.00 22.52 H new ATOM 0 HG LEU A 76 -1.851 -23.043 0.616 1.00 64.32 H new ATOM 0 HD11 LEU A 76 -2.100 -23.845 -1.713 1.00 2.14 H new ATOM 0 HD12 LEU A 76 -3.425 -24.418 -0.672 1.00 2.14 H new ATOM 0 HD13 LEU A 76 -3.699 -23.069 -1.800 1.00 2.14 H new ATOM 0 HD21 LEU A 76 -1.003 -21.699 -1.273 1.00 73.14 H new ATOM 0 HD22 LEU A 76 -2.559 -20.840 -1.352 1.00 73.14 H new ATOM 0 HD23 LEU A 76 -1.524 -20.676 0.087 1.00 73.14 H new ATOM 1220 N ARG A 77 -3.767 -19.687 3.655 1.00 10.33 N ATOM 1221 CA ARG A 77 -4.388 -18.381 3.935 1.00 64.14 C ATOM 1222 C ARG A 77 -3.424 -17.233 3.613 1.00 61.23 C ATOM 1223 O ARG A 77 -2.337 -17.133 4.151 1.00 13.50 O ATOM 1224 CB ARG A 77 -4.892 -18.311 5.399 1.00 21.52 C ATOM 1225 CG ARG A 77 -5.271 -16.914 5.918 1.00 33.32 C ATOM 1226 CD ARG A 77 -6.423 -16.275 5.149 1.00 44.35 C ATOM 1227 NE ARG A 77 -7.698 -17.001 5.324 1.00 64.45 N ATOM 1228 CZ ARG A 77 -8.704 -16.597 6.128 1.00 24.13 C ATOM 1229 NH1 ARG A 77 -8.599 -15.490 6.859 1.00 30.25 N ATOM 1230 NH2 ARG A 77 -9.833 -17.300 6.179 1.00 45.20 N ATOM 0 H ARG A 77 -3.210 -20.077 4.415 1.00 10.33 H new ATOM 0 HA ARG A 77 -5.255 -18.270 3.284 1.00 64.14 H new ATOM 0 HB2 ARG A 77 -5.763 -18.960 5.493 1.00 21.52 H new ATOM 0 HB3 ARG A 77 -4.118 -18.720 6.048 1.00 21.52 H new ATOM 0 HG2 ARG A 77 -5.543 -16.987 6.971 1.00 33.32 H new ATOM 0 HG3 ARG A 77 -4.399 -16.263 5.858 1.00 33.32 H new ATOM 0 HD2 ARG A 77 -6.548 -15.244 5.481 1.00 44.35 H new ATOM 0 HD3 ARG A 77 -6.172 -16.241 4.089 1.00 44.35 H new ATOM 0 HE ARG A 77 -7.827 -17.867 4.801 1.00 64.45 H new ATOM 0 HH11 ARG A 77 -7.747 -14.930 6.818 1.00 30.25 H new ATOM 0 HH12 ARG A 77 -9.370 -15.201 7.461 1.00 30.25 H new ATOM 0 HH21 ARG A 77 -9.936 -18.141 5.612 1.00 45.20 H new ATOM 0 HH22 ARG A 77 -10.595 -16.997 6.786 1.00 45.20 H new ATOM 1244 N VAL A 78 -3.829 -16.419 2.656 1.00 2.51 N ATOM 1245 CA VAL A 78 -3.113 -15.204 2.283 1.00 73.12 C ATOM 1246 C VAL A 78 -4.087 -14.023 2.277 1.00 22.11 C ATOM 1247 O VAL A 78 -5.099 -14.054 1.568 1.00 14.42 O ATOM 1248 CB VAL A 78 -2.418 -15.351 0.893 1.00 53.23 C ATOM 1249 CG1 VAL A 78 -1.102 -16.103 1.021 1.00 53.25 C ATOM 1250 CG2 VAL A 78 -3.311 -16.074 -0.107 1.00 50.33 C ATOM 0 H VAL A 78 -4.673 -16.581 2.107 1.00 2.51 H new ATOM 0 HA VAL A 78 -2.328 -15.025 3.018 1.00 73.12 H new ATOM 0 HB VAL A 78 -2.226 -14.343 0.526 1.00 53.23 H new ATOM 0 HG11 VAL A 78 -0.637 -16.192 0.039 1.00 53.25 H new ATOM 0 HG12 VAL A 78 -0.435 -15.559 1.690 1.00 53.25 H new ATOM 0 HG13 VAL A 78 -1.289 -17.098 1.426 1.00 53.25 H new ATOM 0 HG21 VAL A 78 -2.794 -16.158 -1.063 1.00 50.33 H new ATOM 0 HG22 VAL A 78 -3.544 -17.071 0.268 1.00 50.33 H new ATOM 0 HG23 VAL A 78 -4.235 -15.512 -0.243 1.00 50.33 H new ATOM 1260 N GLU A 79 -3.824 -12.995 3.085 1.00 45.30 N ATOM 1261 CA GLU A 79 -4.746 -11.862 3.146 1.00 3.34 C ATOM 1262 C GLU A 79 -4.035 -10.546 3.449 1.00 22.21 C ATOM 1263 O GLU A 79 -3.008 -10.496 4.168 1.00 55.34 O ATOM 1264 CB GLU A 79 -5.868 -12.125 4.180 1.00 13.10 C ATOM 1265 CG GLU A 79 -5.399 -12.179 5.629 1.00 31.31 C ATOM 1266 CD GLU A 79 -6.476 -12.658 6.582 1.00 2.11 C ATOM 1267 OE1 GLU A 79 -7.545 -12.016 6.662 1.00 54.20 O ATOM 1268 OE2 GLU A 79 -6.262 -13.697 7.241 1.00 61.03 O ATOM 0 H GLU A 79 -3.005 -12.923 3.689 1.00 45.30 H new ATOM 0 HA GLU A 79 -5.192 -11.763 2.156 1.00 3.34 H new ATOM 0 HB2 GLU A 79 -6.621 -11.343 4.085 1.00 13.10 H new ATOM 0 HB3 GLU A 79 -6.355 -13.069 3.935 1.00 13.10 H new ATOM 0 HG2 GLU A 79 -4.536 -12.841 5.702 1.00 31.31 H new ATOM 0 HG3 GLU A 79 -5.066 -11.187 5.935 1.00 31.31 H new ATOM 1275 N VAL A 80 -4.555 -9.475 2.853 1.00 73.34 N ATOM 1276 CA VAL A 80 -4.157 -8.140 3.257 1.00 1.24 C ATOM 1277 C VAL A 80 -5.076 -7.634 4.392 1.00 13.34 C ATOM 1278 O VAL A 80 -6.302 -7.628 4.267 1.00 40.13 O ATOM 1279 CB VAL A 80 -4.114 -7.124 2.068 1.00 51.23 C ATOM 1280 CG1 VAL A 80 -3.128 -7.587 1.023 1.00 4.23 C ATOM 1281 CG2 VAL A 80 -5.460 -6.909 1.392 1.00 34.50 C ATOM 0 H VAL A 80 -5.242 -9.509 2.100 1.00 73.34 H new ATOM 0 HA VAL A 80 -3.134 -8.209 3.627 1.00 1.24 H new ATOM 0 HB VAL A 80 -3.812 -6.173 2.507 1.00 51.23 H new ATOM 0 HG11 VAL A 80 -3.107 -6.872 0.201 1.00 4.23 H new ATOM 0 HG12 VAL A 80 -2.135 -7.659 1.467 1.00 4.23 H new ATOM 0 HG13 VAL A 80 -3.429 -8.564 0.646 1.00 4.23 H new ATOM 0 HG21 VAL A 80 -5.348 -6.192 0.579 1.00 34.50 H new ATOM 0 HG22 VAL A 80 -5.822 -7.857 0.993 1.00 34.50 H new ATOM 0 HG23 VAL A 80 -6.175 -6.524 2.119 1.00 34.50 H new ATOM 1291 N PRO A 81 -4.497 -7.252 5.544 1.00 60.13 N ATOM 1292 CA PRO A 81 -5.218 -6.488 6.562 1.00 41.45 C ATOM 1293 C PRO A 81 -5.126 -4.964 6.360 1.00 3.54 C ATOM 1294 O PRO A 81 -5.619 -4.203 7.194 1.00 72.34 O ATOM 1295 CB PRO A 81 -4.534 -6.918 7.862 1.00 51.55 C ATOM 1296 CG PRO A 81 -3.142 -7.289 7.477 1.00 32.32 C ATOM 1297 CD PRO A 81 -3.173 -7.678 6.017 1.00 71.51 C ATOM 0 HA PRO A 81 -6.289 -6.688 6.538 1.00 41.45 H new ATOM 0 HB2 PRO A 81 -4.537 -6.109 8.593 1.00 51.55 H new ATOM 0 HB3 PRO A 81 -5.053 -7.761 8.318 1.00 51.55 H new ATOM 0 HG2 PRO A 81 -2.462 -6.453 7.638 1.00 32.32 H new ATOM 0 HG3 PRO A 81 -2.781 -8.116 8.088 1.00 32.32 H new ATOM 0 HD2 PRO A 81 -2.376 -7.186 5.459 1.00 71.51 H new ATOM 0 HD3 PRO A 81 -3.034 -8.752 5.891 1.00 71.51 H new ATOM 1305 N PHE A 82 -4.495 -4.522 5.262 1.00 51.32 N ATOM 1306 CA PHE A 82 -4.431 -3.095 4.966 1.00 51.34 C ATOM 1307 C PHE A 82 -5.551 -2.655 4.011 1.00 41.20 C ATOM 1308 O PHE A 82 -6.040 -1.534 4.140 1.00 25.23 O ATOM 1309 CB PHE A 82 -3.032 -2.640 4.448 1.00 4.14 C ATOM 1310 CG PHE A 82 -2.418 -3.378 3.270 1.00 1.41 C ATOM 1311 CD1 PHE A 82 -2.936 -3.283 1.992 1.00 10.23 C ATOM 1312 CD2 PHE A 82 -1.268 -4.106 3.449 1.00 43.44 C ATOM 1313 CE1 PHE A 82 -2.323 -3.898 0.923 1.00 11.44 C ATOM 1314 CE2 PHE A 82 -0.654 -4.733 2.395 1.00 52.11 C ATOM 1315 CZ PHE A 82 -1.179 -4.627 1.126 1.00 61.03 C ATOM 0 H PHE A 82 -4.032 -5.123 4.580 1.00 51.32 H new ATOM 0 HA PHE A 82 -4.588 -2.588 5.918 1.00 51.34 H new ATOM 0 HB2 PHE A 82 -3.106 -1.587 4.177 1.00 4.14 H new ATOM 0 HB3 PHE A 82 -2.333 -2.706 5.281 1.00 4.14 H new ATOM 0 HD1 PHE A 82 -3.840 -2.715 1.828 1.00 10.23 H new ATOM 0 HD2 PHE A 82 -0.839 -4.186 4.437 1.00 43.44 H new ATOM 0 HE1 PHE A 82 -2.740 -3.807 -0.069 1.00 11.44 H new ATOM 0 HE2 PHE A 82 0.243 -5.311 2.560 1.00 52.11 H new ATOM 0 HZ PHE A 82 -0.692 -5.116 0.295 1.00 61.03 H new ATOM 1325 N ASN A 83 -5.956 -3.571 3.095 1.00 15.42 N ATOM 1326 CA ASN A 83 -6.934 -3.303 2.009 1.00 23.12 C ATOM 1327 C ASN A 83 -6.498 -2.085 1.152 1.00 73.33 C ATOM 1328 O ASN A 83 -6.985 -0.964 1.353 1.00 11.11 O ATOM 1329 CB ASN A 83 -8.370 -3.140 2.577 1.00 41.14 C ATOM 1330 CG ASN A 83 -9.460 -3.175 1.514 1.00 2.12 C ATOM 1331 OD1 ASN A 83 -9.966 -4.239 1.158 1.00 1.20 O ATOM 1332 ND2 ASN A 83 -9.837 -2.010 1.015 1.00 64.15 N ATOM 0 H ASN A 83 -5.608 -4.530 3.090 1.00 15.42 H new ATOM 0 HA ASN A 83 -6.952 -4.168 1.346 1.00 23.12 H new ATOM 0 HB2 ASN A 83 -8.556 -3.933 3.301 1.00 41.14 H new ATOM 0 HB3 ASN A 83 -8.432 -2.195 3.116 1.00 41.14 H new ATOM 0 HD21 ASN A 83 -10.572 -1.971 0.309 1.00 64.15 H new ATOM 0 HD22 ASN A 83 -9.393 -1.150 1.336 1.00 64.15 H new