USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 639 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 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -140:sc= 0 (180deg=-0.59) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -1.68! C(o=-1.7!,f=-9.7!) USER MOD Single : A 36 HIS : no HE2:sc= -6.55! C(o=-6.5!,f=-11!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.021 K(o=-0.021,f=-0.74) USER MOD Single : A 62 ASN : amide:sc= -1.83 K(o=-1.8,f=-5.2!) USER MOD Single : A 76 TYR OH : rot -144:sc= 0.205 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot -150:sc= -0.129 USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 13.614 8.396 -1.877 1.00 10.12 N ATOM 147 CA HIS A 10 12.837 8.335 -3.120 1.00 2.23 C ATOM 148 C HIS A 10 11.424 7.772 -2.885 1.00 61.21 C ATOM 149 O HIS A 10 11.225 6.886 -2.052 1.00 54.14 O ATOM 150 CB HIS A 10 13.582 7.490 -4.162 1.00 14.00 C ATOM 151 CG HIS A 10 14.932 8.043 -4.514 1.00 12.10 C ATOM 152 ND1 HIS A 10 16.115 7.375 -4.273 1.00 44.42 N ATOM 153 CD2 HIS A 10 15.283 9.217 -5.093 1.00 15.02 C ATOM 154 CE1 HIS A 10 17.128 8.111 -4.685 1.00 63.11 C ATOM 155 NE2 HIS A 10 16.650 9.232 -5.185 1.00 23.42 N ATOM 0 HA HIS A 10 12.724 9.353 -3.493 1.00 2.23 H new ATOM 0 HB2 HIS A 10 13.700 6.476 -3.781 1.00 14.00 H new ATOM 0 HB3 HIS A 10 12.977 7.423 -5.066 1.00 14.00 H new ATOM 0 HD2 HIS A 10 14.610 9.996 -5.421 1.00 15.02 H new ATOM 0 HE1 HIS A 10 18.172 7.841 -4.623 1.00 63.11 H new ATOM 0 HE2 HIS A 10 17.208 9.990 -5.578 1.00 23.42 H new ATOM 164 N MET A 11 10.452 8.296 -3.624 1.00 34.11 N ATOM 165 CA MET A 11 9.055 7.864 -3.496 1.00 20.42 C ATOM 166 C MET A 11 8.818 6.482 -4.142 1.00 63.51 C ATOM 167 O MET A 11 8.553 6.364 -5.342 1.00 45.15 O ATOM 168 CB MET A 11 8.107 8.923 -4.092 1.00 32.21 C ATOM 169 CG MET A 11 8.419 9.319 -5.533 1.00 54.10 C ATOM 170 SD MET A 11 10.014 10.149 -5.710 1.00 54.22 S ATOM 171 CE MET A 11 10.058 10.428 -7.480 1.00 52.41 C ATOM 0 H MET A 11 10.602 9.024 -4.322 1.00 34.11 H new ATOM 0 HA MET A 11 8.837 7.761 -2.433 1.00 20.42 H new ATOM 0 HB2 MET A 11 7.086 8.544 -4.047 1.00 32.21 H new ATOM 0 HB3 MET A 11 8.143 9.816 -3.468 1.00 32.21 H new ATOM 0 HG2 MET A 11 8.409 8.427 -6.159 1.00 54.10 H new ATOM 0 HG3 MET A 11 7.631 9.976 -5.902 1.00 54.10 H new ATOM 0 HE1 MET A 11 11.066 10.244 -7.852 1.00 52.41 H new ATOM 0 HE2 MET A 11 9.360 9.751 -7.973 1.00 52.41 H new ATOM 0 HE3 MET A 11 9.775 11.459 -7.693 1.00 52.41 H new ATOM 181 N VAL A 12 8.949 5.434 -3.336 1.00 1.33 N ATOM 182 CA VAL A 12 8.705 4.060 -3.787 1.00 15.51 C ATOM 183 C VAL A 12 7.339 3.557 -3.288 1.00 31.33 C ATOM 184 O VAL A 12 6.989 3.735 -2.120 1.00 62.21 O ATOM 185 CB VAL A 12 9.830 3.116 -3.297 1.00 21.25 C ATOM 186 CG1 VAL A 12 9.590 1.678 -3.752 1.00 63.14 C ATOM 187 CG2 VAL A 12 11.191 3.623 -3.780 1.00 11.44 C ATOM 0 H VAL A 12 9.225 5.507 -2.357 1.00 1.33 H new ATOM 0 HA VAL A 12 8.699 4.060 -4.877 1.00 15.51 H new ATOM 0 HB VAL A 12 9.824 3.117 -2.207 1.00 21.25 H new ATOM 0 HG11 VAL A 12 10.398 1.042 -3.391 1.00 63.14 H new ATOM 0 HG12 VAL A 12 8.641 1.323 -3.350 1.00 63.14 H new ATOM 0 HG13 VAL A 12 9.559 1.641 -4.841 1.00 63.14 H new ATOM 0 HG21 VAL A 12 11.975 2.951 -3.430 1.00 11.44 H new ATOM 0 HG22 VAL A 12 11.201 3.656 -4.869 1.00 11.44 H new ATOM 0 HG23 VAL A 12 11.367 4.624 -3.385 1.00 11.44 H new ATOM 197 N VAL A 13 6.572 2.928 -4.180 1.00 31.21 N ATOM 198 CA VAL A 13 5.192 2.525 -3.876 1.00 54.22 C ATOM 199 C VAL A 13 4.945 1.020 -4.100 1.00 51.32 C ATOM 200 O VAL A 13 5.839 0.269 -4.495 1.00 61.41 O ATOM 201 CB VAL A 13 4.180 3.337 -4.726 1.00 71.22 C ATOM 202 CG1 VAL A 13 4.296 4.830 -4.423 1.00 72.10 C ATOM 203 CG2 VAL A 13 4.378 3.065 -6.218 1.00 1.12 C ATOM 0 H VAL A 13 6.881 2.685 -5.121 1.00 31.21 H new ATOM 0 HA VAL A 13 5.043 2.735 -2.817 1.00 54.22 H new ATOM 0 HB VAL A 13 3.174 3.014 -4.457 1.00 71.22 H new ATOM 0 HG11 VAL A 13 3.578 5.381 -5.030 1.00 72.10 H new ATOM 0 HG12 VAL A 13 4.089 5.004 -3.367 1.00 72.10 H new ATOM 0 HG13 VAL A 13 5.305 5.171 -4.656 1.00 72.10 H new ATOM 0 HG21 VAL A 13 3.657 3.646 -6.793 1.00 1.12 H new ATOM 0 HG22 VAL A 13 5.389 3.351 -6.509 1.00 1.12 H new ATOM 0 HG23 VAL A 13 4.230 2.004 -6.417 1.00 1.12 H new ATOM 213 N ILE A 14 3.707 0.603 -3.840 1.00 30.43 N ATOM 214 CA ILE A 14 3.293 -0.799 -3.963 1.00 44.24 C ATOM 215 C ILE A 14 2.462 -1.023 -5.249 1.00 54.51 C ATOM 216 O ILE A 14 1.851 -0.088 -5.776 1.00 2.14 O ATOM 217 CB ILE A 14 2.463 -1.213 -2.715 1.00 11.23 C ATOM 218 CG1 ILE A 14 2.165 -2.725 -2.703 1.00 50.34 C ATOM 219 CG2 ILE A 14 1.173 -0.397 -2.633 1.00 62.00 C ATOM 220 CD1 ILE A 14 3.360 -3.580 -2.328 1.00 44.44 C ATOM 0 H ILE A 14 2.959 1.227 -3.537 1.00 30.43 H new ATOM 0 HA ILE A 14 4.188 -1.417 -4.026 1.00 44.24 H new ATOM 0 HB ILE A 14 3.063 -0.997 -1.831 1.00 11.23 H new ATOM 0 HG12 ILE A 14 1.355 -2.921 -2.001 1.00 50.34 H new ATOM 0 HG13 ILE A 14 1.811 -3.024 -3.690 1.00 50.34 H new ATOM 0 HG21 ILE A 14 0.606 -0.701 -1.753 1.00 62.00 H new ATOM 0 HG22 ILE A 14 1.417 0.663 -2.559 1.00 62.00 H new ATOM 0 HG23 ILE A 14 0.575 -0.570 -3.528 1.00 62.00 H new ATOM 0 HD11 ILE A 14 3.073 -4.632 -2.341 1.00 44.44 H new ATOM 0 HD12 ILE A 14 4.165 -3.414 -3.044 1.00 44.44 H new ATOM 0 HD13 ILE A 14 3.702 -3.309 -1.329 1.00 44.44 H new ATOM 232 N ARG A 15 2.435 -2.260 -5.747 1.00 31.23 N ATOM 233 CA ARG A 15 1.725 -2.603 -6.992 1.00 62.24 C ATOM 234 C ARG A 15 0.753 -3.786 -6.789 1.00 71.23 C ATOM 235 O ARG A 15 0.944 -4.604 -5.889 1.00 1.30 O ATOM 236 CB ARG A 15 2.741 -2.948 -8.101 1.00 2.13 C ATOM 237 CG ARG A 15 2.099 -3.462 -9.389 1.00 44.52 C ATOM 238 CD ARG A 15 3.131 -3.901 -10.424 1.00 14.54 C ATOM 239 NE ARG A 15 3.797 -2.769 -11.057 1.00 3.24 N ATOM 240 CZ ARG A 15 4.332 -2.805 -12.247 1.00 74.41 C ATOM 241 NH1 ARG A 15 4.312 -3.895 -12.947 1.00 62.20 N ATOM 242 NH2 ARG A 15 4.892 -1.746 -12.732 1.00 12.05 N ATOM 0 H ARG A 15 2.901 -3.053 -5.305 1.00 31.23 H new ATOM 0 HA ARG A 15 1.138 -1.734 -7.288 1.00 62.24 H new ATOM 0 HB2 ARG A 15 3.331 -2.060 -8.329 1.00 2.13 H new ATOM 0 HB3 ARG A 15 3.433 -3.702 -7.725 1.00 2.13 H new ATOM 0 HG2 ARG A 15 1.445 -4.302 -9.155 1.00 44.52 H new ATOM 0 HG3 ARG A 15 1.472 -2.679 -9.816 1.00 44.52 H new ATOM 0 HD2 ARG A 15 3.876 -4.536 -9.944 1.00 14.54 H new ATOM 0 HD3 ARG A 15 2.642 -4.505 -11.188 1.00 14.54 H new ATOM 0 HE ARG A 15 3.848 -1.893 -10.537 1.00 3.24 H new ATOM 0 HH11 ARG A 15 3.875 -4.736 -12.569 1.00 62.20 H new ATOM 0 HH12 ARG A 15 4.733 -3.912 -13.876 1.00 62.20 H new ATOM 0 HH21 ARG A 15 4.915 -0.885 -12.185 1.00 12.05 H new ATOM 0 HH22 ARG A 15 5.311 -1.771 -13.662 1.00 12.05 H new ATOM 256 N ARG A 16 -0.280 -3.859 -7.647 1.00 64.02 N ATOM 257 CA ARG A 16 -1.275 -4.951 -7.634 1.00 23.34 C ATOM 258 C ARG A 16 -2.246 -4.852 -6.446 1.00 10.24 C ATOM 259 O ARG A 16 -2.379 -5.783 -5.653 1.00 25.33 O ATOM 260 CB ARG A 16 -0.592 -6.335 -7.666 1.00 53.24 C ATOM 261 CG ARG A 16 0.122 -6.648 -8.979 1.00 21.02 C ATOM 262 CD ARG A 16 -0.857 -6.733 -10.149 1.00 3.15 C ATOM 263 NE ARG A 16 -1.815 -7.828 -9.982 1.00 23.12 N ATOM 264 CZ ARG A 16 -3.105 -7.725 -10.182 1.00 75.43 C ATOM 265 NH1 ARG A 16 -3.628 -6.622 -10.615 1.00 32.42 N ATOM 266 NH2 ARG A 16 -3.873 -8.741 -9.973 1.00 22.35 N ATOM 0 H ARG A 16 -0.450 -3.162 -8.372 1.00 64.02 H new ATOM 0 HA ARG A 16 -1.867 -4.837 -8.542 1.00 23.34 H new ATOM 0 HB2 ARG A 16 0.129 -6.391 -6.850 1.00 53.24 H new ATOM 0 HB3 ARG A 16 -1.343 -7.103 -7.481 1.00 53.24 H new ATOM 0 HG2 ARG A 16 0.865 -5.877 -9.182 1.00 21.02 H new ATOM 0 HG3 ARG A 16 0.659 -7.592 -8.885 1.00 21.02 H new ATOM 0 HD2 ARG A 16 -1.396 -5.790 -10.240 1.00 3.15 H new ATOM 0 HD3 ARG A 16 -0.302 -6.874 -11.077 1.00 3.15 H new ATOM 0 HE ARG A 16 -1.452 -8.735 -9.689 1.00 23.12 H new ATOM 0 HH11 ARG A 16 -3.033 -5.816 -10.806 1.00 32.42 H new ATOM 0 HH12 ARG A 16 -4.635 -6.560 -10.765 1.00 32.42 H new ATOM 0 HH21 ARG A 16 -3.475 -9.624 -9.652 1.00 22.35 H new ATOM 0 HH22 ARG A 16 -4.878 -8.661 -10.129 1.00 22.35 H new ATOM 280 N LEU A 17 -2.929 -3.711 -6.336 1.00 44.54 N ATOM 281 CA LEU A 17 -3.968 -3.516 -5.315 1.00 62.24 C ATOM 282 C LEU A 17 -5.362 -3.426 -5.967 1.00 12.22 C ATOM 283 O LEU A 17 -5.795 -2.346 -6.374 1.00 22.31 O ATOM 284 CB LEU A 17 -3.701 -2.246 -4.479 1.00 43.12 C ATOM 285 CG LEU A 17 -2.507 -2.306 -3.507 1.00 51.14 C ATOM 286 CD1 LEU A 17 -2.648 -3.484 -2.550 1.00 11.13 C ATOM 287 CD2 LEU A 17 -1.188 -2.372 -4.264 1.00 45.23 C ATOM 0 H LEU A 17 -2.783 -2.904 -6.942 1.00 44.54 H new ATOM 0 HA LEU A 17 -3.940 -4.379 -4.650 1.00 62.24 H new ATOM 0 HB2 LEU A 17 -3.543 -1.413 -5.164 1.00 43.12 H new ATOM 0 HB3 LEU A 17 -4.599 -2.020 -3.904 1.00 43.12 H new ATOM 0 HG LEU A 17 -2.506 -1.389 -2.917 1.00 51.14 H new ATOM 0 HD11 LEU A 17 -1.794 -3.507 -1.873 1.00 11.13 H new ATOM 0 HD12 LEU A 17 -3.566 -3.376 -1.973 1.00 11.13 H new ATOM 0 HD13 LEU A 17 -2.685 -4.413 -3.119 1.00 11.13 H new ATOM 0 HD21 LEU A 17 -0.362 -2.413 -3.554 1.00 45.23 H new ATOM 0 HD22 LEU A 17 -1.172 -3.264 -4.891 1.00 45.23 H new ATOM 0 HD23 LEU A 17 -1.083 -1.486 -4.891 1.00 45.23 H new ATOM 299 N PRO A 18 -6.068 -4.565 -6.110 1.00 5.52 N ATOM 300 CA PRO A 18 -7.410 -4.602 -6.699 1.00 63.32 C ATOM 301 C PRO A 18 -8.540 -4.462 -5.657 1.00 63.21 C ATOM 302 O PRO A 18 -8.354 -4.777 -4.478 1.00 11.25 O ATOM 303 CB PRO A 18 -7.429 -5.991 -7.340 1.00 52.34 C ATOM 304 CG PRO A 18 -6.597 -6.843 -6.427 1.00 30.13 C ATOM 305 CD PRO A 18 -5.613 -5.919 -5.733 1.00 53.14 C ATOM 0 HA PRO A 18 -7.588 -3.775 -7.386 1.00 63.32 H new ATOM 0 HB2 PRO A 18 -8.446 -6.375 -7.423 1.00 52.34 H new ATOM 0 HB3 PRO A 18 -7.014 -5.968 -8.348 1.00 52.34 H new ATOM 0 HG2 PRO A 18 -7.225 -7.355 -5.698 1.00 30.13 H new ATOM 0 HG3 PRO A 18 -6.071 -7.613 -6.991 1.00 30.13 H new ATOM 0 HD2 PRO A 18 -5.628 -6.059 -4.652 1.00 53.14 H new ATOM 0 HD3 PRO A 18 -4.591 -6.103 -6.064 1.00 53.14 H new ATOM 313 N PRO A 19 -9.731 -3.978 -6.077 1.00 52.04 N ATOM 314 CA PRO A 19 -10.903 -3.868 -5.186 1.00 70.23 C ATOM 315 C PRO A 19 -11.346 -5.228 -4.614 1.00 64.32 C ATOM 316 O PRO A 19 -12.174 -5.929 -5.204 1.00 71.33 O ATOM 317 CB PRO A 19 -11.998 -3.267 -6.089 1.00 74.11 C ATOM 318 CG PRO A 19 -11.256 -2.634 -7.219 1.00 31.14 C ATOM 319 CD PRO A 19 -10.027 -3.480 -7.431 1.00 34.13 C ATOM 0 HA PRO A 19 -10.684 -3.259 -4.309 1.00 70.23 H new ATOM 0 HB2 PRO A 19 -12.682 -4.037 -6.447 1.00 74.11 H new ATOM 0 HB3 PRO A 19 -12.597 -2.534 -5.549 1.00 74.11 H new ATOM 0 HG2 PRO A 19 -11.869 -2.603 -8.120 1.00 31.14 H new ATOM 0 HG3 PRO A 19 -10.986 -1.605 -6.981 1.00 31.14 H new ATOM 0 HD2 PRO A 19 -10.214 -4.296 -8.129 1.00 34.13 H new ATOM 0 HD3 PRO A 19 -9.200 -2.897 -7.836 1.00 34.13 H new ATOM 327 N GLY A 20 -10.754 -5.612 -3.482 1.00 53.44 N ATOM 328 CA GLY A 20 -11.103 -6.876 -2.833 1.00 15.23 C ATOM 329 C GLY A 20 -11.199 -6.777 -1.310 1.00 24.12 C ATOM 330 O GLY A 20 -11.501 -7.761 -0.637 1.00 34.52 O ATOM 0 H GLY A 20 -10.037 -5.071 -2.999 1.00 53.44 H new ATOM 0 HA2 GLY A 20 -12.057 -7.225 -3.227 1.00 15.23 H new ATOM 0 HA3 GLY A 20 -10.357 -7.627 -3.093 1.00 15.23 H new ATOM 334 N LEU A 21 -10.957 -5.585 -0.766 1.00 14.52 N ATOM 335 CA LEU A 21 -10.982 -5.371 0.689 1.00 74.42 C ATOM 336 C LEU A 21 -10.959 -3.875 1.043 1.00 20.43 C ATOM 337 O LEU A 21 -10.509 -3.041 0.259 1.00 5.34 O ATOM 338 CB LEU A 21 -9.813 -6.096 1.387 1.00 52.32 C ATOM 339 CG LEU A 21 -8.394 -5.553 1.121 1.00 25.44 C ATOM 340 CD1 LEU A 21 -7.373 -6.301 1.972 1.00 41.31 C ATOM 341 CD2 LEU A 21 -8.023 -5.646 -0.358 1.00 14.32 C ATOM 0 H LEU A 21 -10.741 -4.749 -1.308 1.00 14.52 H new ATOM 0 HA LEU A 21 -11.918 -5.795 1.052 1.00 74.42 H new ATOM 0 HB2 LEU A 21 -9.990 -6.068 2.462 1.00 52.32 H new ATOM 0 HB3 LEU A 21 -9.837 -7.144 1.087 1.00 52.32 H new ATOM 0 HG LEU A 21 -8.385 -4.499 1.398 1.00 25.44 H new ATOM 0 HD11 LEU A 21 -6.376 -5.907 1.774 1.00 41.31 H new ATOM 0 HD12 LEU A 21 -7.612 -6.169 3.027 1.00 41.31 H new ATOM 0 HD13 LEU A 21 -7.400 -7.362 1.724 1.00 41.31 H new ATOM 0 HD21 LEU A 21 -7.017 -5.254 -0.506 1.00 14.32 H new ATOM 0 HD22 LEU A 21 -8.057 -6.688 -0.677 1.00 14.32 H new ATOM 0 HD23 LEU A 21 -8.730 -5.063 -0.948 1.00 14.32 H new ATOM 353 N THR A 22 -11.434 -3.551 2.241 1.00 60.22 N ATOM 354 CA THR A 22 -11.572 -2.160 2.682 1.00 22.34 C ATOM 355 C THR A 22 -10.234 -1.604 3.177 1.00 1.54 C ATOM 356 O THR A 22 -9.425 -2.336 3.742 1.00 23.23 O ATOM 357 CB THR A 22 -12.621 -2.032 3.817 1.00 41.04 C ATOM 358 OG1 THR A 22 -13.860 -2.628 3.409 1.00 0.23 O ATOM 359 CG2 THR A 22 -12.866 -0.570 4.196 1.00 23.13 C ATOM 0 H THR A 22 -11.734 -4.238 2.933 1.00 60.22 H new ATOM 0 HA THR A 22 -11.906 -1.584 1.819 1.00 22.34 H new ATOM 0 HB THR A 22 -12.226 -2.552 4.690 1.00 41.04 H new ATOM 0 HG1 THR A 22 -14.517 -2.545 4.132 1.00 0.23 H new ATOM 0 HG21 THR A 22 -13.607 -0.520 4.994 1.00 23.13 H new ATOM 0 HG22 THR A 22 -11.933 -0.122 4.538 1.00 23.13 H new ATOM 0 HG23 THR A 22 -13.233 -0.025 3.326 1.00 23.13 H new ATOM 367 N LYS A 23 -10.022 -0.301 2.979 1.00 1.01 N ATOM 368 CA LYS A 23 -8.787 0.384 3.395 1.00 30.54 C ATOM 369 C LYS A 23 -8.374 0.058 4.845 1.00 33.53 C ATOM 370 O LYS A 23 -7.202 0.173 5.194 1.00 44.12 O ATOM 371 CB LYS A 23 -8.964 1.902 3.227 1.00 22.13 C ATOM 372 CG LYS A 23 -10.131 2.477 4.023 1.00 45.51 C ATOM 373 CD LYS A 23 -10.398 3.940 3.674 1.00 74.10 C ATOM 374 CE LYS A 23 -9.218 4.844 4.020 1.00 74.03 C ATOM 375 NZ LYS A 23 -9.492 6.264 3.672 1.00 33.41 N ATOM 0 H LYS A 23 -10.699 0.313 2.526 1.00 1.01 H new ATOM 0 HA LYS A 23 -7.984 0.020 2.754 1.00 30.54 H new ATOM 0 HB2 LYS A 23 -8.045 2.402 3.534 1.00 22.13 H new ATOM 0 HB3 LYS A 23 -9.111 2.127 2.171 1.00 22.13 H new ATOM 0 HG2 LYS A 23 -11.028 1.889 3.828 1.00 45.51 H new ATOM 0 HG3 LYS A 23 -9.920 2.392 5.089 1.00 45.51 H new ATOM 0 HD2 LYS A 23 -10.616 4.023 2.609 1.00 74.10 H new ATOM 0 HD3 LYS A 23 -11.284 4.283 4.209 1.00 74.10 H new ATOM 0 HE2 LYS A 23 -9.000 4.766 5.085 1.00 74.03 H new ATOM 0 HE3 LYS A 23 -8.330 4.504 3.487 1.00 74.03 H new ATOM 0 HZ1 LYS A 23 -8.668 6.848 3.921 1.00 33.41 H new ATOM 0 HZ2 LYS A 23 -9.675 6.342 2.651 1.00 33.41 H new ATOM 0 HZ3 LYS A 23 -10.324 6.596 4.200 1.00 33.41 H new ATOM 389 N GLU A 24 -9.334 -0.346 5.678 1.00 11.45 N ATOM 390 CA GLU A 24 -9.059 -0.691 7.083 1.00 42.00 C ATOM 391 C GLU A 24 -8.189 -1.960 7.209 1.00 35.23 C ATOM 392 O GLU A 24 -7.337 -2.058 8.090 1.00 70.01 O ATOM 393 CB GLU A 24 -10.380 -0.891 7.833 1.00 61.40 C ATOM 394 CG GLU A 24 -11.372 0.253 7.653 1.00 54.14 C ATOM 395 CD GLU A 24 -12.671 0.023 8.408 1.00 45.21 C ATOM 396 OE1 GLU A 24 -13.306 -1.035 8.204 1.00 71.04 O ATOM 397 OE2 GLU A 24 -13.068 0.899 9.204 1.00 21.53 O ATOM 0 H GLU A 24 -10.313 -0.444 5.408 1.00 11.45 H new ATOM 0 HA GLU A 24 -8.501 0.135 7.523 1.00 42.00 H new ATOM 0 HB2 GLU A 24 -10.843 -1.817 7.493 1.00 61.40 H new ATOM 0 HB3 GLU A 24 -10.169 -1.012 8.895 1.00 61.40 H new ATOM 0 HG2 GLU A 24 -10.916 1.182 7.996 1.00 54.14 H new ATOM 0 HG3 GLU A 24 -11.589 0.377 6.592 1.00 54.14 H new ATOM 404 N GLN A 25 -8.427 -2.942 6.341 1.00 34.42 N ATOM 405 CA GLN A 25 -7.588 -4.148 6.284 1.00 22.15 C ATOM 406 C GLN A 25 -6.478 -3.970 5.244 1.00 71.34 C ATOM 407 O GLN A 25 -5.328 -4.323 5.475 1.00 23.12 O ATOM 408 CB GLN A 25 -8.435 -5.378 5.927 1.00 73.44 C ATOM 409 CG GLN A 25 -9.538 -5.687 6.930 1.00 34.21 C ATOM 410 CD GLN A 25 -10.309 -6.948 6.572 1.00 31.14 C ATOM 411 OE1 GLN A 25 -9.948 -8.047 6.978 1.00 4.41 O ATOM 412 NE2 GLN A 25 -11.373 -6.802 5.808 1.00 65.42 N ATOM 0 H GLN A 25 -9.192 -2.931 5.666 1.00 34.42 H new ATOM 0 HA GLN A 25 -7.141 -4.300 7.266 1.00 22.15 H new ATOM 0 HB2 GLN A 25 -8.884 -5.224 4.946 1.00 73.44 H new ATOM 0 HB3 GLN A 25 -7.780 -6.245 5.845 1.00 73.44 H new ATOM 0 HG2 GLN A 25 -9.102 -5.800 7.922 1.00 34.21 H new ATOM 0 HG3 GLN A 25 -10.227 -4.844 6.979 1.00 34.21 H new ATOM 0 HE21 GLN A 25 -11.647 -5.873 5.487 1.00 65.42 H new ATOM 0 HE22 GLN A 25 -11.923 -7.618 5.538 1.00 65.42 H new ATOM 421 N LEU A 26 -6.848 -3.400 4.104 1.00 21.32 N ATOM 422 CA LEU A 26 -5.919 -3.116 3.005 1.00 24.20 C ATOM 423 C LEU A 26 -4.669 -2.339 3.475 1.00 44.05 C ATOM 424 O LEU A 26 -3.598 -2.442 2.875 1.00 63.31 O ATOM 425 CB LEU A 26 -6.682 -2.334 1.923 1.00 5.40 C ATOM 426 CG LEU A 26 -5.828 -1.670 0.836 1.00 52.22 C ATOM 427 CD1 LEU A 26 -5.124 -2.721 -0.023 1.00 51.42 C ATOM 428 CD2 LEU A 26 -6.688 -0.753 -0.027 1.00 60.44 C ATOM 0 H LEU A 26 -7.809 -3.117 3.910 1.00 21.32 H new ATOM 0 HA LEU A 26 -5.549 -4.059 2.602 1.00 24.20 H new ATOM 0 HB2 LEU A 26 -7.383 -3.014 1.439 1.00 5.40 H new ATOM 0 HB3 LEU A 26 -7.274 -1.561 2.413 1.00 5.40 H new ATOM 0 HG LEU A 26 -5.061 -1.067 1.322 1.00 52.22 H new ATOM 0 HD11 LEU A 26 -4.525 -2.225 -0.786 1.00 51.42 H new ATOM 0 HD12 LEU A 26 -4.477 -3.331 0.607 1.00 51.42 H new ATOM 0 HD13 LEU A 26 -5.868 -3.357 -0.502 1.00 51.42 H new ATOM 0 HD21 LEU A 26 -6.068 -0.289 -0.794 1.00 60.44 H new ATOM 0 HD22 LEU A 26 -7.478 -1.335 -0.502 1.00 60.44 H new ATOM 0 HD23 LEU A 26 -7.134 0.021 0.597 1.00 60.44 H new ATOM 440 N GLU A 27 -4.810 -1.574 4.553 1.00 33.41 N ATOM 441 CA GLU A 27 -3.694 -0.796 5.113 1.00 41.22 C ATOM 442 C GLU A 27 -2.604 -1.690 5.732 1.00 22.12 C ATOM 443 O GLU A 27 -1.416 -1.379 5.645 1.00 13.31 O ATOM 444 CB GLU A 27 -4.213 0.160 6.197 1.00 22.24 C ATOM 445 CG GLU A 27 -4.767 -0.567 7.420 1.00 32.05 C ATOM 446 CD GLU A 27 -5.345 0.356 8.477 1.00 53.40 C ATOM 447 OE1 GLU A 27 -6.062 1.310 8.117 1.00 40.21 O ATOM 448 OE2 GLU A 27 -5.076 0.129 9.679 1.00 30.44 O ATOM 0 H GLU A 27 -5.687 -1.472 5.063 1.00 33.41 H new ATOM 0 HA GLU A 27 -3.252 -0.242 4.285 1.00 41.22 H new ATOM 0 HB2 GLU A 27 -3.403 0.820 6.509 1.00 22.24 H new ATOM 0 HB3 GLU A 27 -4.993 0.792 5.773 1.00 22.24 H new ATOM 0 HG2 GLU A 27 -5.542 -1.262 7.097 1.00 32.05 H new ATOM 0 HG3 GLU A 27 -3.971 -1.162 7.868 1.00 32.05 H new ATOM 455 N GLU A 28 -3.014 -2.804 6.346 1.00 54.43 N ATOM 456 CA GLU A 28 -2.123 -3.588 7.212 1.00 50.55 C ATOM 457 C GLU A 28 -0.870 -4.089 6.470 1.00 24.53 C ATOM 458 O GLU A 28 0.227 -4.099 7.031 1.00 60.05 O ATOM 459 CB GLU A 28 -2.880 -4.780 7.836 1.00 3.03 C ATOM 460 CG GLU A 28 -3.183 -5.927 6.868 1.00 45.34 C ATOM 461 CD GLU A 28 -3.807 -7.134 7.555 1.00 23.05 C ATOM 462 OE1 GLU A 28 -5.051 -7.182 7.683 1.00 1.12 O ATOM 463 OE2 GLU A 28 -3.053 -8.040 7.977 1.00 1.31 O ATOM 0 H GLU A 28 -3.957 -3.184 6.261 1.00 54.43 H new ATOM 0 HA GLU A 28 -1.787 -2.919 8.004 1.00 50.55 H new ATOM 0 HB2 GLU A 28 -2.292 -5.170 8.667 1.00 3.03 H new ATOM 0 HB3 GLU A 28 -3.820 -4.417 8.253 1.00 3.03 H new ATOM 0 HG2 GLU A 28 -3.857 -5.570 6.089 1.00 45.34 H new ATOM 0 HG3 GLU A 28 -2.260 -6.233 6.375 1.00 45.34 H new ATOM 470 N GLN A 29 -1.037 -4.493 5.216 1.00 64.13 N ATOM 471 CA GLN A 29 0.084 -5.002 4.414 1.00 53.34 C ATOM 472 C GLN A 29 0.843 -3.864 3.723 1.00 73.03 C ATOM 473 O GLN A 29 1.937 -4.064 3.205 1.00 54.12 O ATOM 474 CB GLN A 29 -0.391 -6.029 3.361 1.00 70.25 C ATOM 475 CG GLN A 29 -1.344 -5.480 2.295 1.00 52.42 C ATOM 476 CD GLN A 29 -2.806 -5.503 2.712 1.00 32.42 C ATOM 477 OE1 GLN A 29 -3.141 -5.392 3.877 1.00 11.22 O ATOM 478 NE2 GLN A 29 -3.692 -5.651 1.754 1.00 12.53 N ATOM 0 H GLN A 29 -1.933 -4.481 4.728 1.00 64.13 H new ATOM 0 HA GLN A 29 0.762 -5.503 5.105 1.00 53.34 H new ATOM 0 HB2 GLN A 29 0.485 -6.445 2.863 1.00 70.25 H new ATOM 0 HB3 GLN A 29 -0.885 -6.852 3.877 1.00 70.25 H new ATOM 0 HG2 GLN A 29 -1.059 -4.455 2.059 1.00 52.42 H new ATOM 0 HG3 GLN A 29 -1.227 -6.062 1.381 1.00 52.42 H new ATOM 0 HE21 GLN A 29 -3.385 -5.742 0.785 1.00 12.53 H new ATOM 0 HE22 GLN A 29 -4.687 -5.675 1.979 1.00 12.53 H new ATOM 487 N LEU A 30 0.263 -2.669 3.722 1.00 4.11 N ATOM 488 CA LEU A 30 0.883 -1.514 3.064 1.00 60.12 C ATOM 489 C LEU A 30 1.548 -0.567 4.076 1.00 73.22 C ATOM 490 O LEU A 30 2.349 0.292 3.702 1.00 74.41 O ATOM 491 CB LEU A 30 -0.162 -0.763 2.233 1.00 55.41 C ATOM 492 CG LEU A 30 -0.915 -1.619 1.197 1.00 32.45 C ATOM 493 CD1 LEU A 30 -1.870 -0.763 0.371 1.00 22.10 C ATOM 494 CD2 LEU A 30 0.066 -2.361 0.292 1.00 43.44 C ATOM 0 H LEU A 30 -0.633 -2.470 4.167 1.00 4.11 H new ATOM 0 HA LEU A 30 1.668 -1.886 2.405 1.00 60.12 H new ATOM 0 HB2 LEU A 30 -0.890 -0.318 2.911 1.00 55.41 H new ATOM 0 HB3 LEU A 30 0.332 0.057 1.713 1.00 55.41 H new ATOM 0 HG LEU A 30 -1.507 -2.358 1.738 1.00 32.45 H new ATOM 0 HD11 LEU A 30 -2.389 -1.392 -0.353 1.00 22.10 H new ATOM 0 HD12 LEU A 30 -2.599 -0.291 1.030 1.00 22.10 H new ATOM 0 HD13 LEU A 30 -1.306 0.007 -0.156 1.00 22.10 H new ATOM 0 HD21 LEU A 30 -0.488 -2.959 -0.432 1.00 43.44 H new ATOM 0 HD22 LEU A 30 0.691 -1.640 -0.235 1.00 43.44 H new ATOM 0 HD23 LEU A 30 0.696 -3.014 0.896 1.00 43.44 H new ATOM 506 N ARG A 31 1.221 -0.723 5.364 1.00 31.14 N ATOM 507 CA ARG A 31 1.863 0.080 6.417 1.00 2.11 C ATOM 508 C ARG A 31 2.249 -0.743 7.674 1.00 70.31 C ATOM 509 O ARG A 31 2.046 -0.286 8.798 1.00 75.22 O ATOM 510 CB ARG A 31 0.958 1.263 6.814 1.00 43.53 C ATOM 511 CG ARG A 31 -0.367 0.882 7.489 1.00 2.42 C ATOM 512 CD ARG A 31 -1.113 2.127 7.962 1.00 3.12 C ATOM 513 NE ARG A 31 -2.205 1.837 8.891 1.00 15.34 N ATOM 514 CZ ARG A 31 -2.978 2.753 9.417 1.00 74.53 C ATOM 515 NH1 ARG A 31 -2.820 4.000 9.117 1.00 32.25 N ATOM 516 NH2 ARG A 31 -3.908 2.417 10.244 1.00 33.14 N ATOM 0 H ARG A 31 0.525 -1.388 5.702 1.00 31.14 H new ATOM 0 HA ARG A 31 2.796 0.452 5.993 1.00 2.11 H new ATOM 0 HB2 ARG A 31 1.515 1.914 7.488 1.00 43.53 H new ATOM 0 HB3 ARG A 31 0.736 1.845 5.919 1.00 43.53 H new ATOM 0 HG2 ARG A 31 -0.989 0.324 6.789 1.00 2.42 H new ATOM 0 HG3 ARG A 31 -0.173 0.225 8.337 1.00 2.42 H new ATOM 0 HD2 ARG A 31 -0.406 2.803 8.444 1.00 3.12 H new ATOM 0 HD3 ARG A 31 -1.514 2.651 7.095 1.00 3.12 H new ATOM 0 HE ARG A 31 -2.374 0.863 9.144 1.00 15.34 H new ATOM 0 HH11 ARG A 31 -2.087 4.279 8.464 1.00 32.25 H new ATOM 0 HH12 ARG A 31 -3.428 4.706 9.533 1.00 32.25 H new ATOM 0 HH21 ARG A 31 -4.042 1.436 10.489 1.00 33.14 H new ATOM 0 HH22 ARG A 31 -4.510 3.132 10.653 1.00 33.14 H new ATOM 530 N PRO A 32 2.861 -1.942 7.520 1.00 23.24 N ATOM 531 CA PRO A 32 3.333 -2.738 8.668 1.00 74.33 C ATOM 532 C PRO A 32 4.728 -2.303 9.162 1.00 53.41 C ATOM 533 O PRO A 32 5.369 -3.004 9.949 1.00 60.32 O ATOM 534 CB PRO A 32 3.381 -4.153 8.087 1.00 32.41 C ATOM 535 CG PRO A 32 3.752 -3.947 6.655 1.00 44.21 C ATOM 536 CD PRO A 32 3.135 -2.630 6.240 1.00 44.55 C ATOM 0 HA PRO A 32 2.691 -2.631 9.542 1.00 74.33 H new ATOM 0 HB2 PRO A 32 4.115 -4.771 8.604 1.00 32.41 H new ATOM 0 HB3 PRO A 32 2.418 -4.655 8.181 1.00 32.41 H new ATOM 0 HG2 PRO A 32 4.835 -3.924 6.534 1.00 44.21 H new ATOM 0 HG3 PRO A 32 3.379 -4.763 6.036 1.00 44.21 H new ATOM 0 HD2 PRO A 32 3.814 -2.051 5.614 1.00 44.55 H new ATOM 0 HD3 PRO A 32 2.221 -2.781 5.665 1.00 44.55 H new ATOM 544 N LEU A 33 5.187 -1.138 8.705 1.00 50.13 N ATOM 545 CA LEU A 33 6.526 -0.639 9.039 1.00 33.33 C ATOM 546 C LEU A 33 6.575 -0.030 10.453 1.00 73.13 C ATOM 547 O LEU A 33 5.566 0.460 10.962 1.00 41.22 O ATOM 548 CB LEU A 33 6.986 0.406 8.003 1.00 41.15 C ATOM 549 CG LEU A 33 7.177 -0.115 6.562 1.00 32.25 C ATOM 550 CD1 LEU A 33 5.842 -0.332 5.855 1.00 70.32 C ATOM 551 CD2 LEU A 33 8.064 0.827 5.756 1.00 3.15 C ATOM 0 H LEU A 33 4.650 -0.518 8.099 1.00 50.13 H new ATOM 0 HA LEU A 33 7.204 -1.492 9.018 1.00 33.33 H new ATOM 0 HB2 LEU A 33 6.256 1.215 7.983 1.00 41.15 H new ATOM 0 HB3 LEU A 33 7.929 0.835 8.342 1.00 41.15 H new ATOM 0 HG LEU A 33 7.673 -1.083 6.632 1.00 32.25 H new ATOM 0 HD11 LEU A 33 6.021 -0.699 4.844 1.00 70.32 H new ATOM 0 HD12 LEU A 33 5.252 -1.064 6.407 1.00 70.32 H new ATOM 0 HD13 LEU A 33 5.298 0.611 5.808 1.00 70.32 H new ATOM 0 HD21 LEU A 33 8.183 0.438 4.745 1.00 3.15 H new ATOM 0 HD22 LEU A 33 7.603 1.814 5.713 1.00 3.15 H new ATOM 0 HD23 LEU A 33 9.041 0.904 6.233 1.00 3.15 H new ATOM 563 N PRO A 34 7.760 -0.051 11.106 1.00 30.42 N ATOM 564 CA PRO A 34 7.941 0.529 12.455 1.00 53.11 C ATOM 565 C PRO A 34 7.830 2.066 12.467 1.00 71.40 C ATOM 566 O PRO A 34 7.695 2.684 13.526 1.00 54.01 O ATOM 567 CB PRO A 34 9.363 0.085 12.838 1.00 74.10 C ATOM 568 CG PRO A 34 10.059 -0.122 11.533 1.00 72.24 C ATOM 569 CD PRO A 34 9.012 -0.650 10.592 1.00 0.31 C ATOM 0 HA PRO A 34 7.169 0.194 13.148 1.00 53.11 H new ATOM 0 HB2 PRO A 34 9.866 0.842 13.439 1.00 74.10 H new ATOM 0 HB3 PRO A 34 9.346 -0.831 13.428 1.00 74.10 H new ATOM 0 HG2 PRO A 34 10.483 0.812 11.163 1.00 72.24 H new ATOM 0 HG3 PRO A 34 10.884 -0.827 11.637 1.00 72.24 H new ATOM 0 HD2 PRO A 34 9.208 -0.350 9.563 1.00 0.31 H new ATOM 0 HD3 PRO A 34 8.972 -1.739 10.605 1.00 0.31 H new ATOM 577 N ALA A 35 7.894 2.666 11.280 1.00 60.21 N ATOM 578 CA ALA A 35 7.806 4.123 11.121 1.00 75.13 C ATOM 579 C ALA A 35 7.439 4.490 9.673 1.00 14.53 C ATOM 580 O ALA A 35 6.878 3.669 8.952 1.00 1.12 O ATOM 581 CB ALA A 35 9.128 4.771 11.522 1.00 21.24 C ATOM 0 H ALA A 35 8.008 2.161 10.401 1.00 60.21 H new ATOM 0 HA ALA A 35 7.019 4.500 11.774 1.00 75.13 H new ATOM 0 HB1 ALA A 35 9.055 5.852 11.401 1.00 21.24 H new ATOM 0 HB2 ALA A 35 9.347 4.536 12.564 1.00 21.24 H new ATOM 0 HB3 ALA A 35 9.928 4.388 10.888 1.00 21.24 H new ATOM 587 N HIS A 36 7.749 5.730 9.268 1.00 24.14 N ATOM 588 CA HIS A 36 7.534 6.223 7.891 1.00 34.34 C ATOM 589 C HIS A 36 6.048 6.520 7.604 1.00 71.30 C ATOM 590 O HIS A 36 5.150 5.926 8.207 1.00 14.23 O ATOM 591 CB HIS A 36 8.143 5.251 6.843 1.00 72.34 C ATOM 592 CG HIS A 36 7.157 4.416 6.063 1.00 15.05 C ATOM 593 ND1 HIS A 36 6.013 3.866 6.604 1.00 53.32 N ATOM 594 CD2 HIS A 36 7.164 4.033 4.763 1.00 11.40 C ATOM 595 CE1 HIS A 36 5.362 3.195 5.680 1.00 23.24 C ATOM 596 NE2 HIS A 36 6.036 3.276 4.553 1.00 40.13 N ATOM 0 H HIS A 36 8.159 6.428 9.888 1.00 24.14 H new ATOM 0 HA HIS A 36 8.062 7.173 7.803 1.00 34.34 H new ATOM 0 HB2 HIS A 36 8.734 5.834 6.137 1.00 72.34 H new ATOM 0 HB3 HIS A 36 8.831 4.580 7.356 1.00 72.34 H new ATOM 0 HD1 HIS A 36 5.717 3.965 7.575 1.00 53.32 H new ATOM 0 HD2 HIS A 36 7.917 4.277 4.028 1.00 11.40 H new ATOM 0 HE1 HIS A 36 4.431 2.666 5.822 1.00 23.24 H new ATOM 605 N ASP A 37 5.805 7.450 6.681 1.00 50.13 N ATOM 606 CA ASP A 37 4.445 7.875 6.328 1.00 34.21 C ATOM 607 C ASP A 37 3.656 6.782 5.590 1.00 72.31 C ATOM 608 O ASP A 37 4.225 5.891 4.956 1.00 12.31 O ATOM 609 CB ASP A 37 4.502 9.138 5.457 1.00 44.11 C ATOM 610 CG ASP A 37 5.080 10.335 6.193 1.00 35.45 C ATOM 611 OD1 ASP A 37 6.153 10.196 6.808 1.00 44.50 O ATOM 612 OD2 ASP A 37 4.458 11.418 6.166 1.00 12.15 O ATOM 0 H ASP A 37 6.538 7.929 6.158 1.00 50.13 H new ATOM 0 HA ASP A 37 3.924 8.081 7.263 1.00 34.21 H new ATOM 0 HB2 ASP A 37 5.105 8.936 4.571 1.00 44.11 H new ATOM 0 HB3 ASP A 37 3.497 9.381 5.111 1.00 44.11 H new ATOM 617 N TYR A 38 2.335 6.867 5.685 1.00 51.24 N ATOM 618 CA TYR A 38 1.434 5.975 4.956 1.00 62.12 C ATOM 619 C TYR A 38 0.486 6.796 4.070 1.00 33.01 C ATOM 620 O TYR A 38 -0.071 7.804 4.511 1.00 60.22 O ATOM 621 CB TYR A 38 0.637 5.094 5.933 1.00 53.24 C ATOM 622 CG TYR A 38 -0.204 5.873 6.933 1.00 24.31 C ATOM 623 CD1 TYR A 38 0.357 6.370 8.106 1.00 24.42 C ATOM 624 CD2 TYR A 38 -1.557 6.114 6.703 1.00 40.05 C ATOM 625 CE1 TYR A 38 -0.401 7.078 9.017 1.00 61.33 C ATOM 626 CE2 TYR A 38 -2.320 6.822 7.611 1.00 31.21 C ATOM 627 CZ TYR A 38 -1.738 7.302 8.765 1.00 43.35 C ATOM 628 OH TYR A 38 -2.496 8.008 9.671 1.00 50.11 O ATOM 0 H TYR A 38 1.856 7.554 6.268 1.00 51.24 H new ATOM 0 HA TYR A 38 2.029 5.320 4.319 1.00 62.12 H new ATOM 0 HB2 TYR A 38 -0.017 4.436 5.360 1.00 53.24 H new ATOM 0 HB3 TYR A 38 1.332 4.456 6.479 1.00 53.24 H new ATOM 0 HD1 TYR A 38 1.404 6.199 8.307 1.00 24.42 H new ATOM 0 HD2 TYR A 38 -2.017 5.741 5.800 1.00 40.05 H new ATOM 0 HE1 TYR A 38 0.051 7.455 9.923 1.00 61.33 H new ATOM 0 HE2 TYR A 38 -3.368 6.999 7.418 1.00 31.21 H new ATOM 0 HH TYR A 38 -3.417 8.078 9.343 1.00 50.11 H new ATOM 638 N PHE A 39 0.307 6.370 2.827 1.00 62.21 N ATOM 639 CA PHE A 39 -0.513 7.121 1.872 1.00 42.12 C ATOM 640 C PHE A 39 -2.001 6.771 2.030 1.00 70.41 C ATOM 641 O PHE A 39 -2.350 5.733 2.591 1.00 31.42 O ATOM 642 CB PHE A 39 -0.034 6.831 0.442 1.00 32.31 C ATOM 643 CG PHE A 39 -0.492 7.834 -0.589 1.00 61.25 C ATOM 644 CD1 PHE A 39 0.198 9.027 -0.762 1.00 73.31 C ATOM 645 CD2 PHE A 39 -1.598 7.585 -1.392 1.00 71.45 C ATOM 646 CE1 PHE A 39 -0.208 9.951 -1.707 1.00 70.00 C ATOM 647 CE2 PHE A 39 -2.006 8.505 -2.340 1.00 33.41 C ATOM 648 CZ PHE A 39 -1.311 9.689 -2.497 1.00 61.42 C ATOM 0 H PHE A 39 0.714 5.513 2.453 1.00 62.21 H new ATOM 0 HA PHE A 39 -0.402 8.186 2.075 1.00 42.12 H new ATOM 0 HB2 PHE A 39 1.055 6.797 0.438 1.00 32.31 H new ATOM 0 HB3 PHE A 39 -0.385 5.842 0.149 1.00 32.31 H new ATOM 0 HD1 PHE A 39 1.063 9.236 -0.150 1.00 73.31 H new ATOM 0 HD2 PHE A 39 -2.146 6.662 -1.274 1.00 71.45 H new ATOM 0 HE1 PHE A 39 0.336 10.876 -1.828 1.00 70.00 H new ATOM 0 HE2 PHE A 39 -2.868 8.298 -2.958 1.00 33.41 H new ATOM 0 HZ PHE A 39 -1.630 10.409 -3.236 1.00 61.42 H new ATOM 658 N GLU A 40 -2.869 7.652 1.545 1.00 23.35 N ATOM 659 CA GLU A 40 -4.318 7.445 1.635 1.00 61.53 C ATOM 660 C GLU A 40 -4.776 6.200 0.841 1.00 31.44 C ATOM 661 O GLU A 40 -4.788 6.188 -0.392 1.00 13.21 O ATOM 662 CB GLU A 40 -5.057 8.703 1.155 1.00 62.24 C ATOM 663 CG GLU A 40 -4.643 9.180 -0.229 1.00 3.22 C ATOM 664 CD GLU A 40 -5.417 10.404 -0.679 1.00 20.43 C ATOM 665 OE1 GLU A 40 -6.526 10.240 -1.231 1.00 41.12 O ATOM 666 OE2 GLU A 40 -4.930 11.538 -0.467 1.00 63.42 O ATOM 0 H GLU A 40 -2.598 8.520 1.083 1.00 23.35 H new ATOM 0 HA GLU A 40 -4.566 7.262 2.681 1.00 61.53 H new ATOM 0 HB2 GLU A 40 -6.128 8.502 1.152 1.00 62.24 H new ATOM 0 HB3 GLU A 40 -4.885 9.507 1.871 1.00 62.24 H new ATOM 0 HG2 GLU A 40 -3.577 9.409 -0.227 1.00 3.22 H new ATOM 0 HG3 GLU A 40 -4.794 8.374 -0.947 1.00 3.22 H new ATOM 673 N PHE A 41 -5.155 5.153 1.571 1.00 63.23 N ATOM 674 CA PHE A 41 -5.573 3.883 0.967 1.00 12.32 C ATOM 675 C PHE A 41 -6.991 3.990 0.376 1.00 45.54 C ATOM 676 O PHE A 41 -7.887 4.553 1.006 1.00 63.34 O ATOM 677 CB PHE A 41 -5.530 2.767 2.022 1.00 0.33 C ATOM 678 CG PHE A 41 -4.254 2.747 2.827 1.00 72.13 C ATOM 679 CD1 PHE A 41 -3.111 2.138 2.333 1.00 64.21 C ATOM 680 CD2 PHE A 41 -4.200 3.343 4.081 1.00 24.20 C ATOM 681 CE1 PHE A 41 -1.941 2.126 3.071 1.00 3.22 C ATOM 682 CE2 PHE A 41 -3.035 3.331 4.821 1.00 64.33 C ATOM 683 CZ PHE A 41 -1.904 2.722 4.317 1.00 50.11 C ATOM 0 H PHE A 41 -5.182 5.157 2.591 1.00 63.23 H new ATOM 0 HA PHE A 41 -4.884 3.646 0.157 1.00 12.32 H new ATOM 0 HB2 PHE A 41 -6.376 2.886 2.699 1.00 0.33 H new ATOM 0 HB3 PHE A 41 -5.652 1.804 1.526 1.00 0.33 H new ATOM 0 HD1 PHE A 41 -3.134 1.668 1.361 1.00 64.21 H new ATOM 0 HD2 PHE A 41 -5.081 3.822 4.482 1.00 24.20 H new ATOM 0 HE1 PHE A 41 -1.056 1.651 2.673 1.00 3.22 H new ATOM 0 HE2 PHE A 41 -3.009 3.798 5.794 1.00 64.33 H new ATOM 0 HZ PHE A 41 -0.992 2.711 4.895 1.00 50.11 H new ATOM 693 N PHE A 42 -7.195 3.446 -0.827 1.00 51.15 N ATOM 694 CA PHE A 42 -8.508 3.512 -1.485 1.00 43.40 C ATOM 695 C PHE A 42 -9.554 2.649 -0.756 1.00 52.14 C ATOM 696 O PHE A 42 -9.224 1.631 -0.142 1.00 21.55 O ATOM 697 CB PHE A 42 -8.406 3.091 -2.964 1.00 34.03 C ATOM 698 CG PHE A 42 -8.117 1.624 -3.195 1.00 45.01 C ATOM 699 CD1 PHE A 42 -6.817 1.139 -3.158 1.00 52.02 C ATOM 700 CD2 PHE A 42 -9.149 0.730 -3.461 1.00 43.44 C ATOM 701 CE1 PHE A 42 -6.553 -0.198 -3.379 1.00 71.43 C ATOM 702 CE2 PHE A 42 -8.889 -0.610 -3.684 1.00 24.53 C ATOM 703 CZ PHE A 42 -7.589 -1.074 -3.641 1.00 4.52 C ATOM 0 H PHE A 42 -6.477 2.959 -1.363 1.00 51.15 H new ATOM 0 HA PHE A 42 -8.839 4.550 -1.439 1.00 43.40 H new ATOM 0 HB2 PHE A 42 -9.341 3.344 -3.463 1.00 34.03 H new ATOM 0 HB3 PHE A 42 -7.621 3.679 -3.440 1.00 34.03 H new ATOM 0 HD1 PHE A 42 -6.001 1.817 -2.954 1.00 52.02 H new ATOM 0 HD2 PHE A 42 -10.168 1.087 -3.494 1.00 43.44 H new ATOM 0 HE1 PHE A 42 -5.536 -0.560 -3.347 1.00 71.43 H new ATOM 0 HE2 PHE A 42 -9.701 -1.292 -3.891 1.00 24.53 H new ATOM 0 HZ PHE A 42 -7.382 -2.120 -3.812 1.00 4.52 H new ATOM 713 N ALA A 43 -10.817 3.062 -0.827 1.00 41.43 N ATOM 714 CA ALA A 43 -11.908 2.334 -0.173 1.00 74.12 C ATOM 715 C ALA A 43 -12.754 1.549 -1.191 1.00 54.34 C ATOM 716 O ALA A 43 -13.677 2.092 -1.798 1.00 64.44 O ATOM 717 CB ALA A 43 -12.783 3.298 0.624 1.00 42.22 C ATOM 0 H ALA A 43 -11.113 3.898 -1.331 1.00 41.43 H new ATOM 0 HA ALA A 43 -11.465 1.611 0.512 1.00 74.12 H new ATOM 0 HB1 ALA A 43 -13.590 2.745 1.105 1.00 42.22 H new ATOM 0 HB2 ALA A 43 -12.179 3.793 1.384 1.00 42.22 H new ATOM 0 HB3 ALA A 43 -13.206 4.045 -0.047 1.00 42.22 H new ATOM 723 N ALA A 44 -12.413 0.277 -1.391 1.00 42.30 N ATOM 724 CA ALA A 44 -13.162 -0.596 -2.302 1.00 4.34 C ATOM 725 C ALA A 44 -13.027 -2.070 -1.896 1.00 51.43 C ATOM 726 O ALA A 44 -11.984 -2.693 -2.107 1.00 11.21 O ATOM 727 CB ALA A 44 -12.694 -0.391 -3.740 1.00 34.10 C ATOM 0 H ALA A 44 -11.621 -0.176 -0.934 1.00 42.30 H new ATOM 0 HA ALA A 44 -14.216 -0.327 -2.236 1.00 4.34 H new ATOM 0 HB1 ALA A 44 -13.259 -1.046 -4.403 1.00 34.10 H new ATOM 0 HB2 ALA A 44 -12.855 0.647 -4.031 1.00 34.10 H new ATOM 0 HB3 ALA A 44 -11.633 -0.628 -3.814 1.00 34.10 H new ATOM 733 N ASP A 45 -14.085 -2.624 -1.308 1.00 12.32 N ATOM 734 CA ASP A 45 -14.064 -4.004 -0.825 1.00 54.22 C ATOM 735 C ASP A 45 -14.346 -5.011 -1.956 1.00 15.01 C ATOM 736 O ASP A 45 -14.415 -4.645 -3.130 1.00 32.41 O ATOM 737 CB ASP A 45 -15.075 -4.175 0.310 1.00 41.43 C ATOM 738 CG ASP A 45 -16.500 -3.963 -0.157 1.00 74.11 C ATOM 739 OD1 ASP A 45 -16.899 -2.798 -0.352 1.00 4.44 O ATOM 740 OD2 ASP A 45 -17.222 -4.963 -0.336 1.00 73.01 O ATOM 0 H ASP A 45 -14.969 -2.138 -1.154 1.00 12.32 H new ATOM 0 HA ASP A 45 -13.062 -4.212 -0.449 1.00 54.22 H new ATOM 0 HB2 ASP A 45 -14.978 -5.175 0.733 1.00 41.43 H new ATOM 0 HB3 ASP A 45 -14.847 -3.468 1.107 1.00 41.43 H new ATOM 745 N LEU A 46 -14.532 -6.276 -1.584 1.00 3.33 N ATOM 746 CA LEU A 46 -14.662 -7.374 -2.555 1.00 74.51 C ATOM 747 C LEU A 46 -16.004 -7.368 -3.314 1.00 53.43 C ATOM 748 O LEU A 46 -16.201 -8.184 -4.219 1.00 64.22 O ATOM 749 CB LEU A 46 -14.467 -8.730 -1.853 1.00 23.14 C ATOM 750 CG LEU A 46 -15.650 -9.227 -0.991 1.00 12.15 C ATOM 751 CD1 LEU A 46 -15.380 -10.633 -0.466 1.00 0.22 C ATOM 752 CD2 LEU A 46 -15.939 -8.276 0.169 1.00 45.31 C ATOM 0 H LEU A 46 -14.597 -6.573 -0.610 1.00 3.33 H new ATOM 0 HA LEU A 46 -13.880 -7.218 -3.299 1.00 74.51 H new ATOM 0 HB2 LEU A 46 -14.257 -9.482 -2.613 1.00 23.14 H new ATOM 0 HB3 LEU A 46 -13.584 -8.663 -1.218 1.00 23.14 H new ATOM 0 HG LEU A 46 -16.532 -9.253 -1.631 1.00 12.15 H new ATOM 0 HD11 LEU A 46 -16.225 -10.964 0.138 1.00 0.22 H new ATOM 0 HD12 LEU A 46 -15.245 -11.315 -1.305 1.00 0.22 H new ATOM 0 HD13 LEU A 46 -14.477 -10.626 0.145 1.00 0.22 H new ATOM 0 HD21 LEU A 46 -16.777 -8.658 0.753 1.00 45.31 H new ATOM 0 HD22 LEU A 46 -15.058 -8.200 0.806 1.00 45.31 H new ATOM 0 HD23 LEU A 46 -16.189 -7.290 -0.223 1.00 45.31 H new ATOM 866 N TYR A 53 -10.886 1.683 -10.604 1.00 32.12 N ATOM 867 CA TYR A 53 -9.636 1.023 -10.205 1.00 52.45 C ATOM 868 C TYR A 53 -8.600 2.043 -9.706 1.00 11.22 C ATOM 869 O TYR A 53 -7.817 2.590 -10.485 1.00 3.22 O ATOM 870 CB TYR A 53 -9.057 0.197 -11.371 1.00 13.30 C ATOM 871 CG TYR A 53 -9.721 -1.158 -11.548 1.00 50.14 C ATOM 872 CD1 TYR A 53 -10.849 -1.314 -12.347 1.00 3.34 C ATOM 873 CD2 TYR A 53 -9.214 -2.283 -10.904 1.00 42.21 C ATOM 874 CE1 TYR A 53 -11.452 -2.548 -12.495 1.00 71.44 C ATOM 875 CE2 TYR A 53 -9.814 -3.518 -11.048 1.00 50.22 C ATOM 876 CZ TYR A 53 -10.929 -3.646 -11.845 1.00 42.14 C ATOM 877 OH TYR A 53 -11.529 -4.875 -11.985 1.00 42.21 O ATOM 0 HA TYR A 53 -9.868 0.347 -9.382 1.00 52.45 H new ATOM 0 HB2 TYR A 53 -9.161 0.766 -12.295 1.00 13.30 H new ATOM 0 HB3 TYR A 53 -7.990 0.050 -11.206 1.00 13.30 H new ATOM 0 HD1 TYR A 53 -11.260 -0.457 -12.860 1.00 3.34 H new ATOM 0 HD2 TYR A 53 -8.337 -2.188 -10.281 1.00 42.21 H new ATOM 0 HE1 TYR A 53 -12.329 -2.652 -13.117 1.00 71.44 H new ATOM 0 HE2 TYR A 53 -9.410 -4.380 -10.538 1.00 50.22 H new ATOM 0 HH TYR A 53 -11.035 -5.541 -11.463 1.00 42.21 H new ATOM 887 N SER A 54 -8.616 2.307 -8.403 1.00 2.31 N ATOM 888 CA SER A 54 -7.652 3.223 -7.781 1.00 43.24 C ATOM 889 C SER A 54 -6.646 2.441 -6.928 1.00 14.32 C ATOM 890 O SER A 54 -6.978 1.394 -6.373 1.00 3.31 O ATOM 891 CB SER A 54 -8.380 4.262 -6.919 1.00 3.12 C ATOM 892 OG SER A 54 -7.477 5.224 -6.397 1.00 52.43 O ATOM 0 H SER A 54 -9.287 1.900 -7.751 1.00 2.31 H new ATOM 0 HA SER A 54 -7.111 3.743 -8.572 1.00 43.24 H new ATOM 0 HB2 SER A 54 -9.143 4.762 -7.516 1.00 3.12 H new ATOM 0 HB3 SER A 54 -8.895 3.761 -6.099 1.00 3.12 H new ATOM 0 HG SER A 54 -7.970 5.874 -5.853 1.00 52.43 H new ATOM 898 N ARG A 55 -5.418 2.943 -6.826 1.00 70.24 N ATOM 899 CA ARG A 55 -4.359 2.242 -6.095 1.00 42.41 C ATOM 900 C ARG A 55 -4.045 2.919 -4.752 1.00 52.23 C ATOM 901 O ARG A 55 -4.082 4.144 -4.636 1.00 43.40 O ATOM 902 CB ARG A 55 -3.072 2.190 -6.932 1.00 33.03 C ATOM 903 CG ARG A 55 -1.995 1.281 -6.333 1.00 61.54 C ATOM 904 CD ARG A 55 -0.587 1.652 -6.791 1.00 41.15 C ATOM 905 NE ARG A 55 -0.463 1.706 -8.245 1.00 54.23 N ATOM 906 CZ ARG A 55 0.582 1.291 -8.915 1.00 13.50 C ATOM 907 NH1 ARG A 55 1.581 0.732 -8.310 1.00 54.44 N ATOM 908 NH2 ARG A 55 0.620 1.435 -10.198 1.00 23.31 N ATOM 0 H ARG A 55 -5.129 3.830 -7.238 1.00 70.24 H new ATOM 0 HA ARG A 55 -4.723 1.233 -5.902 1.00 42.41 H new ATOM 0 HB2 ARG A 55 -3.314 1.842 -7.936 1.00 33.03 H new ATOM 0 HB3 ARG A 55 -2.671 3.199 -7.032 1.00 33.03 H new ATOM 0 HG2 ARG A 55 -2.044 1.335 -5.245 1.00 61.54 H new ATOM 0 HG3 ARG A 55 -2.202 0.248 -6.611 1.00 61.54 H new ATOM 0 HD2 ARG A 55 -0.316 2.621 -6.371 1.00 41.15 H new ATOM 0 HD3 ARG A 55 0.122 0.924 -6.397 1.00 41.15 H new ATOM 0 HE ARG A 55 -1.244 2.094 -8.775 1.00 54.23 H new ATOM 0 HH11 ARG A 55 1.561 0.610 -7.298 1.00 54.44 H new ATOM 0 HH12 ARG A 55 2.388 0.414 -8.846 1.00 54.44 H new ATOM 0 HH21 ARG A 55 -0.163 1.871 -10.686 1.00 23.31 H new ATOM 0 HH22 ARG A 55 1.433 1.113 -10.724 1.00 23.31 H new ATOM 922 N ALA A 56 -3.733 2.112 -3.743 1.00 42.12 N ATOM 923 CA ALA A 56 -3.211 2.622 -2.475 1.00 22.24 C ATOM 924 C ALA A 56 -1.679 2.669 -2.530 1.00 44.54 C ATOM 925 O ALA A 56 -1.027 1.640 -2.688 1.00 54.30 O ATOM 926 CB ALA A 56 -3.686 1.745 -1.321 1.00 13.10 C ATOM 0 H ALA A 56 -3.832 1.097 -3.777 1.00 42.12 H new ATOM 0 HA ALA A 56 -3.585 3.632 -2.310 1.00 22.24 H new ATOM 0 HB1 ALA A 56 -3.292 2.134 -0.382 1.00 13.10 H new ATOM 0 HB2 ALA A 56 -4.775 1.748 -1.286 1.00 13.10 H new ATOM 0 HB3 ALA A 56 -3.331 0.725 -1.469 1.00 13.10 H new ATOM 932 N TYR A 57 -1.106 3.864 -2.426 1.00 73.43 N ATOM 933 CA TYR A 57 0.346 4.040 -2.556 1.00 33.23 C ATOM 934 C TYR A 57 1.049 4.041 -1.188 1.00 15.34 C ATOM 935 O TYR A 57 0.413 3.877 -0.148 1.00 1.13 O ATOM 936 CB TYR A 57 0.651 5.346 -3.303 1.00 45.41 C ATOM 937 CG TYR A 57 0.084 5.394 -4.713 1.00 52.52 C ATOM 938 CD1 TYR A 57 -1.248 5.723 -4.936 1.00 72.35 C ATOM 939 CD2 TYR A 57 0.880 5.107 -5.817 1.00 63.23 C ATOM 940 CE1 TYR A 57 -1.769 5.764 -6.215 1.00 53.33 C ATOM 941 CE2 TYR A 57 0.367 5.148 -7.098 1.00 72.51 C ATOM 942 CZ TYR A 57 -0.958 5.475 -7.294 1.00 31.44 C ATOM 943 OH TYR A 57 -1.475 5.510 -8.570 1.00 65.44 O ATOM 0 H TYR A 57 -1.620 4.728 -2.252 1.00 73.43 H new ATOM 0 HA TYR A 57 0.731 3.194 -3.125 1.00 33.23 H new ATOM 0 HB2 TYR A 57 0.249 6.183 -2.731 1.00 45.41 H new ATOM 0 HB3 TYR A 57 1.731 5.482 -3.351 1.00 45.41 H new ATOM 0 HD1 TYR A 57 -1.887 5.950 -4.095 1.00 72.35 H new ATOM 0 HD2 TYR A 57 1.918 4.847 -5.669 1.00 63.23 H new ATOM 0 HE1 TYR A 57 -2.806 6.021 -6.370 1.00 53.33 H new ATOM 0 HE2 TYR A 57 1.001 4.925 -7.943 1.00 72.51 H new ATOM 0 HH TYR A 57 -0.772 5.283 -9.214 1.00 65.44 H new ATOM 953 N ILE A 58 2.369 4.230 -1.204 1.00 52.02 N ATOM 954 CA ILE A 58 3.173 4.281 0.026 1.00 10.34 C ATOM 955 C ILE A 58 4.170 5.457 -0.029 1.00 54.00 C ATOM 956 O ILE A 58 4.589 5.874 -1.108 1.00 44.14 O ATOM 957 CB ILE A 58 3.959 2.955 0.244 1.00 35.45 C ATOM 958 CG1 ILE A 58 2.999 1.752 0.293 1.00 61.31 C ATOM 959 CG2 ILE A 58 4.792 3.026 1.524 1.00 70.40 C ATOM 960 CD1 ILE A 58 3.695 0.418 0.481 1.00 1.53 C ATOM 0 H ILE A 58 2.911 4.351 -2.060 1.00 52.02 H new ATOM 0 HA ILE A 58 2.485 4.422 0.860 1.00 10.34 H new ATOM 0 HB ILE A 58 4.635 2.820 -0.600 1.00 35.45 H new ATOM 0 HG12 ILE A 58 2.290 1.899 1.108 1.00 61.31 H new ATOM 0 HG13 ILE A 58 2.422 1.722 -0.631 1.00 61.31 H new ATOM 0 HG21 ILE A 58 5.334 2.090 1.658 1.00 70.40 H new ATOM 0 HG22 ILE A 58 5.503 3.849 1.450 1.00 70.40 H new ATOM 0 HG23 ILE A 58 4.134 3.190 2.378 1.00 70.40 H new ATOM 0 HD11 ILE A 58 2.952 -0.380 0.505 1.00 1.53 H new ATOM 0 HD12 ILE A 58 4.384 0.247 -0.346 1.00 1.53 H new ATOM 0 HD13 ILE A 58 4.250 0.426 1.419 1.00 1.53 H new ATOM 972 N ASN A 59 4.541 5.996 1.135 1.00 63.14 N ATOM 973 CA ASN A 59 5.522 7.088 1.203 1.00 33.30 C ATOM 974 C ASN A 59 6.675 6.746 2.167 1.00 31.43 C ATOM 975 O ASN A 59 6.512 6.765 3.389 1.00 30.32 O ATOM 976 CB ASN A 59 4.832 8.394 1.622 1.00 61.25 C ATOM 977 CG ASN A 59 5.788 9.572 1.670 1.00 33.34 C ATOM 978 OD1 ASN A 59 6.800 9.598 0.981 1.00 4.43 O ATOM 979 ND2 ASN A 59 5.468 10.561 2.476 1.00 41.12 N ATOM 0 H ASN A 59 4.180 5.697 2.041 1.00 63.14 H new ATOM 0 HA ASN A 59 5.952 7.221 0.210 1.00 33.30 H new ATOM 0 HB2 ASN A 59 4.025 8.614 0.923 1.00 61.25 H new ATOM 0 HB3 ASN A 59 4.376 8.261 2.603 1.00 61.25 H new ATOM 0 HD21 ASN A 59 6.070 11.382 2.541 1.00 41.12 H new ATOM 0 HD22 ASN A 59 4.617 10.507 3.036 1.00 41.12 H new ATOM 986 N PHE A 60 7.837 6.418 1.602 1.00 51.13 N ATOM 987 CA PHE A 60 9.022 6.059 2.394 1.00 3.44 C ATOM 988 C PHE A 60 9.798 7.297 2.872 1.00 2.43 C ATOM 989 O PHE A 60 9.885 8.300 2.170 1.00 63.20 O ATOM 990 CB PHE A 60 9.943 5.140 1.581 1.00 13.44 C ATOM 991 CG PHE A 60 9.489 3.701 1.560 1.00 72.13 C ATOM 992 CD1 PHE A 60 8.572 3.248 0.621 1.00 13.10 C ATOM 993 CD2 PHE A 60 9.982 2.803 2.492 1.00 25.11 C ATOM 994 CE1 PHE A 60 8.162 1.924 0.617 1.00 24.44 C ATOM 995 CE2 PHE A 60 9.579 1.485 2.493 1.00 35.12 C ATOM 996 CZ PHE A 60 8.667 1.042 1.555 1.00 65.03 C ATOM 0 H PHE A 60 7.987 6.392 0.593 1.00 51.13 H new ATOM 0 HA PHE A 60 8.672 5.531 3.281 1.00 3.44 H new ATOM 0 HB2 PHE A 60 10.001 5.510 0.557 1.00 13.44 H new ATOM 0 HB3 PHE A 60 10.950 5.189 1.995 1.00 13.44 H new ATOM 0 HD1 PHE A 60 8.175 3.933 -0.113 1.00 13.10 H new ATOM 0 HD2 PHE A 60 10.694 3.141 3.230 1.00 25.11 H new ATOM 0 HE1 PHE A 60 7.449 1.581 -0.118 1.00 24.44 H new ATOM 0 HE2 PHE A 60 9.976 0.799 3.227 1.00 35.12 H new ATOM 0 HZ PHE A 60 8.349 0.010 1.554 1.00 65.03 H new ATOM 1006 N ARG A 61 10.376 7.211 4.072 1.00 73.13 N ATOM 1007 CA ARG A 61 11.086 8.351 4.676 1.00 53.52 C ATOM 1008 C ARG A 61 12.591 8.086 4.841 1.00 31.25 C ATOM 1009 O ARG A 61 13.331 8.946 5.322 1.00 21.41 O ATOM 1010 CB ARG A 61 10.469 8.681 6.040 1.00 54.21 C ATOM 1011 CG ARG A 61 9.009 9.114 5.964 1.00 11.45 C ATOM 1012 CD ARG A 61 8.835 10.399 5.160 1.00 4.13 C ATOM 1013 NE ARG A 61 9.594 11.507 5.733 1.00 12.12 N ATOM 1014 CZ ARG A 61 9.113 12.366 6.593 1.00 75.21 C ATOM 1015 NH1 ARG A 61 7.894 12.268 7.020 1.00 22.25 N ATOM 1016 NH2 ARG A 61 9.862 13.322 7.034 1.00 70.32 N ATOM 0 H ARG A 61 10.369 6.368 4.647 1.00 73.13 H new ATOM 0 HA ARG A 61 10.977 9.197 3.997 1.00 53.52 H new ATOM 0 HB2 ARG A 61 10.546 7.806 6.685 1.00 54.21 H new ATOM 0 HB3 ARG A 61 11.050 9.475 6.509 1.00 54.21 H new ATOM 0 HG2 ARG A 61 8.418 8.319 5.509 1.00 11.45 H new ATOM 0 HG3 ARG A 61 8.622 9.262 6.972 1.00 11.45 H new ATOM 0 HD2 ARG A 61 9.158 10.231 4.133 1.00 4.13 H new ATOM 0 HD3 ARG A 61 7.778 10.664 5.123 1.00 4.13 H new ATOM 0 HE ARG A 61 10.565 11.618 5.443 1.00 12.12 H new ATOM 0 HH11 ARG A 61 7.295 11.513 6.685 1.00 22.25 H new ATOM 0 HH12 ARG A 61 7.533 12.946 7.691 1.00 22.25 H new ATOM 0 HH21 ARG A 61 10.826 13.405 6.711 1.00 70.32 H new ATOM 0 HH22 ARG A 61 9.489 13.994 7.705 1.00 70.32 H new ATOM 1030 N ASN A 62 13.044 6.910 4.422 1.00 73.42 N ATOM 1031 CA ASN A 62 14.450 6.522 4.586 1.00 52.40 C ATOM 1032 C ASN A 62 14.905 5.603 3.437 1.00 14.21 C ATOM 1033 O ASN A 62 14.256 4.597 3.153 1.00 61.14 O ATOM 1034 CB ASN A 62 14.623 5.810 5.936 1.00 25.13 C ATOM 1035 CG ASN A 62 16.070 5.476 6.261 1.00 72.01 C ATOM 1036 OD1 ASN A 62 16.989 6.186 5.877 1.00 54.14 O ATOM 1037 ND2 ASN A 62 16.282 4.394 6.977 1.00 64.32 N ATOM 0 H ASN A 62 12.463 6.206 3.966 1.00 73.42 H new ATOM 0 HA ASN A 62 15.069 7.419 4.562 1.00 52.40 H new ATOM 0 HB2 ASN A 62 14.217 6.442 6.726 1.00 25.13 H new ATOM 0 HB3 ASN A 62 14.038 4.890 5.931 1.00 25.13 H new ATOM 0 HD21 ASN A 62 17.234 4.126 7.227 1.00 64.32 H new ATOM 0 HD22 ASN A 62 15.495 3.822 7.282 1.00 64.32 H new ATOM 1044 N PRO A 63 16.025 5.935 2.756 1.00 63.04 N ATOM 1045 CA PRO A 63 16.572 5.106 1.660 1.00 55.03 C ATOM 1046 C PRO A 63 16.806 3.643 2.081 1.00 33.33 C ATOM 1047 O PRO A 63 16.603 2.717 1.290 1.00 63.52 O ATOM 1048 CB PRO A 63 17.906 5.797 1.309 1.00 2.33 C ATOM 1049 CG PRO A 63 18.186 6.723 2.449 1.00 21.11 C ATOM 1050 CD PRO A 63 16.845 7.136 2.982 1.00 41.42 C ATOM 0 HA PRO A 63 15.881 5.043 0.819 1.00 55.03 H new ATOM 0 HB2 PRO A 63 18.707 5.067 1.190 1.00 2.33 H new ATOM 0 HB3 PRO A 63 17.830 6.343 0.369 1.00 2.33 H new ATOM 0 HG2 PRO A 63 18.777 6.227 3.219 1.00 21.11 H new ATOM 0 HG3 PRO A 63 18.758 7.589 2.117 1.00 21.11 H new ATOM 0 HD2 PRO A 63 16.893 7.401 4.038 1.00 41.42 H new ATOM 0 HD3 PRO A 63 16.448 8.003 2.453 1.00 41.42 H new ATOM 1058 N ASP A 64 17.238 3.444 3.328 1.00 23.30 N ATOM 1059 CA ASP A 64 17.438 2.099 3.877 1.00 55.21 C ATOM 1060 C ASP A 64 16.089 1.410 4.179 1.00 23.11 C ATOM 1061 O ASP A 64 15.941 0.202 3.989 1.00 70.31 O ATOM 1062 CB ASP A 64 18.298 2.181 5.143 1.00 14.11 C ATOM 1063 CG ASP A 64 19.641 2.838 4.875 1.00 11.44 C ATOM 1064 OD1 ASP A 64 20.568 2.145 4.407 1.00 40.31 O ATOM 1065 OD2 ASP A 64 19.769 4.058 5.116 1.00 53.44 O ATOM 0 H ASP A 64 17.457 4.198 3.979 1.00 23.30 H new ATOM 0 HA ASP A 64 17.955 1.495 3.132 1.00 55.21 H new ATOM 0 HB2 ASP A 64 17.764 2.745 5.908 1.00 14.11 H new ATOM 0 HB3 ASP A 64 18.457 1.178 5.539 1.00 14.11 H new ATOM 1070 N ASP A 65 15.110 2.193 4.633 1.00 4.22 N ATOM 1071 CA ASP A 65 13.749 1.690 4.886 1.00 22.10 C ATOM 1072 C ASP A 65 13.129 1.148 3.582 1.00 0.20 C ATOM 1073 O ASP A 65 12.452 0.116 3.572 1.00 61.14 O ATOM 1074 CB ASP A 65 12.896 2.825 5.482 1.00 32.14 C ATOM 1075 CG ASP A 65 11.483 2.410 5.863 1.00 42.32 C ATOM 1076 OD1 ASP A 65 11.328 1.366 6.528 1.00 71.14 O ATOM 1077 OD2 ASP A 65 10.530 3.146 5.509 1.00 35.25 O ATOM 0 H ASP A 65 15.230 3.185 4.836 1.00 4.22 H new ATOM 0 HA ASP A 65 13.785 0.867 5.599 1.00 22.10 H new ATOM 0 HB2 ASP A 65 13.399 3.216 6.367 1.00 32.14 H new ATOM 0 HB3 ASP A 65 12.841 3.640 4.760 1.00 32.14 H new ATOM 1082 N ILE A 66 13.409 1.843 2.474 1.00 21.11 N ATOM 1083 CA ILE A 66 12.962 1.419 1.138 1.00 60.11 C ATOM 1084 C ILE A 66 13.455 0.001 0.794 1.00 71.11 C ATOM 1085 O ILE A 66 12.658 -0.919 0.593 1.00 1.45 O ATOM 1086 CB ILE A 66 13.470 2.394 0.041 1.00 2.03 C ATOM 1087 CG1 ILE A 66 12.969 3.823 0.302 1.00 1.13 C ATOM 1088 CG2 ILE A 66 13.031 1.914 -1.340 1.00 3.30 C ATOM 1089 CD1 ILE A 66 13.494 4.851 -0.684 1.00 43.04 C ATOM 0 H ILE A 66 13.948 2.709 2.475 1.00 21.11 H new ATOM 0 HA ILE A 66 11.872 1.424 1.163 1.00 60.11 H new ATOM 0 HB ILE A 66 14.559 2.408 0.074 1.00 2.03 H new ATOM 0 HG12 ILE A 66 11.879 3.827 0.269 1.00 1.13 H new ATOM 0 HG13 ILE A 66 13.259 4.120 1.310 1.00 1.13 H new ATOM 0 HG21 ILE A 66 13.394 2.607 -2.099 1.00 3.30 H new ATOM 0 HG22 ILE A 66 13.442 0.922 -1.528 1.00 3.30 H new ATOM 0 HG23 ILE A 66 11.943 1.869 -1.381 1.00 3.30 H new ATOM 0 HD11 ILE A 66 13.095 5.834 -0.432 1.00 43.04 H new ATOM 0 HD12 ILE A 66 14.583 4.878 -0.636 1.00 43.04 H new ATOM 0 HD13 ILE A 66 13.182 4.580 -1.693 1.00 43.04 H new ATOM 1101 N LEU A 67 14.777 -0.163 0.727 1.00 31.25 N ATOM 1102 CA LEU A 67 15.380 -1.455 0.370 1.00 33.02 C ATOM 1103 C LEU A 67 15.043 -2.547 1.399 1.00 34.03 C ATOM 1104 O LEU A 67 14.957 -3.730 1.059 1.00 61.31 O ATOM 1105 CB LEU A 67 16.905 -1.295 0.193 1.00 41.24 C ATOM 1106 CG LEU A 67 17.678 -0.691 1.388 1.00 62.44 C ATOM 1107 CD1 LEU A 67 17.977 -1.739 2.461 1.00 71.43 C ATOM 1108 CD2 LEU A 67 18.967 -0.019 0.917 1.00 31.33 C ATOM 0 H LEU A 67 15.452 0.578 0.914 1.00 31.25 H new ATOM 0 HA LEU A 67 14.953 -1.779 -0.579 1.00 33.02 H new ATOM 0 HB2 LEU A 67 17.328 -2.275 -0.026 1.00 41.24 H new ATOM 0 HB3 LEU A 67 17.083 -0.668 -0.681 1.00 41.24 H new ATOM 0 HG LEU A 67 17.037 0.066 1.840 1.00 62.44 H new ATOM 0 HD11 LEU A 67 18.521 -1.273 3.283 1.00 71.43 H new ATOM 0 HD12 LEU A 67 17.041 -2.154 2.835 1.00 71.43 H new ATOM 0 HD13 LEU A 67 18.582 -2.537 2.031 1.00 71.43 H new ATOM 0 HD21 LEU A 67 19.494 0.399 1.775 1.00 31.33 H new ATOM 0 HD22 LEU A 67 19.602 -0.755 0.424 1.00 31.33 H new ATOM 0 HD23 LEU A 67 18.726 0.780 0.215 1.00 31.33 H new ATOM 1120 N LEU A 68 14.840 -2.140 2.648 1.00 13.02 N ATOM 1121 CA LEU A 68 14.472 -3.064 3.722 1.00 73.11 C ATOM 1122 C LEU A 68 13.147 -3.772 3.419 1.00 42.42 C ATOM 1123 O LEU A 68 13.085 -5.005 3.343 1.00 61.41 O ATOM 1124 CB LEU A 68 14.368 -2.302 5.052 1.00 12.14 C ATOM 1125 CG LEU A 68 13.845 -3.114 6.250 1.00 24.40 C ATOM 1126 CD1 LEU A 68 14.767 -4.294 6.551 1.00 71.40 C ATOM 1127 CD2 LEU A 68 13.698 -2.217 7.476 1.00 22.33 C ATOM 0 H LEU A 68 14.924 -1.168 2.946 1.00 13.02 H new ATOM 0 HA LEU A 68 15.250 -3.824 3.797 1.00 73.11 H new ATOM 0 HB2 LEU A 68 15.354 -1.913 5.304 1.00 12.14 H new ATOM 0 HB3 LEU A 68 13.714 -1.442 4.906 1.00 12.14 H new ATOM 0 HG LEU A 68 12.863 -3.511 5.993 1.00 24.40 H new ATOM 0 HD11 LEU A 68 14.377 -4.853 7.402 1.00 71.40 H new ATOM 0 HD12 LEU A 68 14.818 -4.947 5.680 1.00 71.40 H new ATOM 0 HD13 LEU A 68 15.765 -3.925 6.787 1.00 71.40 H new ATOM 0 HD21 LEU A 68 13.327 -2.806 8.315 1.00 22.33 H new ATOM 0 HD22 LEU A 68 14.667 -1.790 7.733 1.00 22.33 H new ATOM 0 HD23 LEU A 68 12.994 -1.414 7.257 1.00 22.33 H new ATOM 1139 N PHE A 69 12.088 -2.991 3.238 1.00 10.02 N ATOM 1140 CA PHE A 69 10.751 -3.552 3.044 1.00 75.20 C ATOM 1141 C PHE A 69 10.491 -4.030 1.605 1.00 40.41 C ATOM 1142 O PHE A 69 9.663 -4.916 1.396 1.00 45.05 O ATOM 1143 CB PHE A 69 9.680 -2.560 3.514 1.00 31.43 C ATOM 1144 CG PHE A 69 9.250 -2.819 4.936 1.00 31.14 C ATOM 1145 CD1 PHE A 69 10.010 -2.369 6.008 1.00 32.42 C ATOM 1146 CD2 PHE A 69 8.095 -3.538 5.197 1.00 25.30 C ATOM 1147 CE1 PHE A 69 9.622 -2.633 7.308 1.00 45.10 C ATOM 1148 CE2 PHE A 69 7.701 -3.802 6.493 1.00 65.11 C ATOM 1149 CZ PHE A 69 8.465 -3.351 7.551 1.00 43.32 C ATOM 0 H PHE A 69 12.126 -1.972 3.221 1.00 10.02 H new ATOM 0 HA PHE A 69 10.693 -4.448 3.662 1.00 75.20 H new ATOM 0 HB2 PHE A 69 10.067 -1.544 3.432 1.00 31.43 H new ATOM 0 HB3 PHE A 69 8.813 -2.625 2.856 1.00 31.43 H new ATOM 0 HD1 PHE A 69 10.914 -1.807 5.824 1.00 32.42 H new ATOM 0 HD2 PHE A 69 7.494 -3.897 4.374 1.00 25.30 H new ATOM 0 HE1 PHE A 69 10.222 -2.279 8.133 1.00 45.10 H new ATOM 0 HE2 PHE A 69 6.796 -4.361 6.680 1.00 65.11 H new ATOM 0 HZ PHE A 69 8.160 -3.558 8.566 1.00 43.32 H new ATOM 1159 N ARG A 70 11.190 -3.469 0.612 1.00 20.14 N ATOM 1160 CA ARG A 70 11.101 -4.002 -0.759 1.00 11.14 C ATOM 1161 C ARG A 70 11.495 -5.491 -0.778 1.00 74.51 C ATOM 1162 O ARG A 70 10.801 -6.323 -1.362 1.00 42.42 O ATOM 1163 CB ARG A 70 12.010 -3.233 -1.738 1.00 41.43 C ATOM 1164 CG ARG A 70 12.026 -3.849 -3.145 1.00 33.52 C ATOM 1165 CD ARG A 70 13.074 -3.227 -4.066 1.00 54.22 C ATOM 1166 NE ARG A 70 12.719 -1.877 -4.504 1.00 64.02 N ATOM 1167 CZ ARG A 70 12.405 -1.564 -5.738 1.00 22.05 C ATOM 1168 NH1 ARG A 70 12.317 -2.474 -6.656 1.00 13.33 N ATOM 1169 NH2 ARG A 70 12.178 -0.332 -6.054 1.00 53.24 N ATOM 0 H ARG A 70 11.810 -2.666 0.722 1.00 20.14 H new ATOM 0 HA ARG A 70 10.067 -3.881 -1.082 1.00 11.14 H new ATOM 0 HB2 ARG A 70 11.673 -2.199 -1.803 1.00 41.43 H new ATOM 0 HB3 ARG A 70 13.026 -3.213 -1.344 1.00 41.43 H new ATOM 0 HG2 ARG A 70 12.214 -4.920 -3.063 1.00 33.52 H new ATOM 0 HG3 ARG A 70 11.041 -3.732 -3.596 1.00 33.52 H new ATOM 0 HD2 ARG A 70 14.032 -3.195 -3.548 1.00 54.22 H new ATOM 0 HD3 ARG A 70 13.206 -3.864 -4.940 1.00 54.22 H new ATOM 0 HE ARG A 70 12.716 -1.133 -3.806 1.00 64.02 H new ATOM 0 HH11 ARG A 70 12.493 -3.451 -6.424 1.00 13.33 H new ATOM 0 HH12 ARG A 70 12.072 -2.213 -7.611 1.00 13.33 H new ATOM 0 HH21 ARG A 70 12.243 0.397 -5.344 1.00 53.24 H new ATOM 0 HH22 ARG A 70 11.934 -0.088 -7.014 1.00 53.24 H new ATOM 1183 N ASP A 71 12.607 -5.802 -0.110 1.00 52.12 N ATOM 1184 CA ASP A 71 13.156 -7.162 -0.059 1.00 2.10 C ATOM 1185 C ASP A 71 12.164 -8.177 0.546 1.00 13.31 C ATOM 1186 O ASP A 71 11.834 -9.183 -0.085 1.00 73.20 O ATOM 1187 CB ASP A 71 14.464 -7.147 0.742 1.00 33.12 C ATOM 1188 CG ASP A 71 15.061 -8.531 0.919 1.00 21.02 C ATOM 1189 OD1 ASP A 71 15.678 -9.043 -0.036 1.00 3.33 O ATOM 1190 OD2 ASP A 71 14.908 -9.113 2.019 1.00 51.33 O ATOM 0 H ASP A 71 13.155 -5.118 0.412 1.00 52.12 H new ATOM 0 HA ASP A 71 13.347 -7.486 -1.082 1.00 2.10 H new ATOM 0 HB2 ASP A 71 15.187 -6.506 0.237 1.00 33.12 H new ATOM 0 HB3 ASP A 71 14.279 -6.708 1.722 1.00 33.12 H new ATOM 1195 N ARG A 72 11.690 -7.909 1.766 1.00 32.24 N ATOM 1196 CA ARG A 72 10.779 -8.833 2.467 1.00 41.24 C ATOM 1197 C ARG A 72 9.420 -8.964 1.759 1.00 0.41 C ATOM 1198 O ARG A 72 8.696 -9.939 1.965 1.00 13.43 O ATOM 1199 CB ARG A 72 10.581 -8.398 3.927 1.00 3.21 C ATOM 1200 CG ARG A 72 10.121 -6.954 4.093 1.00 32.20 C ATOM 1201 CD ARG A 72 9.941 -6.578 5.562 1.00 54.25 C ATOM 1202 NE ARG A 72 8.753 -7.198 6.155 1.00 51.25 N ATOM 1203 CZ ARG A 72 8.681 -7.612 7.393 1.00 4.44 C ATOM 1204 NH1 ARG A 72 9.726 -7.615 8.155 1.00 73.33 N ATOM 1205 NH2 ARG A 72 7.564 -8.060 7.861 1.00 74.42 N ATOM 0 H ARG A 72 11.918 -7.065 2.291 1.00 32.24 H new ATOM 0 HA ARG A 72 11.250 -9.816 2.449 1.00 41.24 H new ATOM 0 HB2 ARG A 72 9.849 -9.057 4.394 1.00 3.21 H new ATOM 0 HB3 ARG A 72 11.520 -8.532 4.465 1.00 3.21 H new ATOM 0 HG2 ARG A 72 10.850 -6.286 3.634 1.00 32.20 H new ATOM 0 HG3 ARG A 72 9.179 -6.810 3.564 1.00 32.20 H new ATOM 0 HD2 ARG A 72 10.825 -6.882 6.123 1.00 54.25 H new ATOM 0 HD3 ARG A 72 9.865 -5.494 5.650 1.00 54.25 H new ATOM 0 HE ARG A 72 7.930 -7.314 5.564 1.00 51.25 H new ATOM 0 HH11 ARG A 72 10.623 -7.291 7.792 1.00 73.33 H new ATOM 0 HH12 ARG A 72 9.653 -7.941 9.119 1.00 73.33 H new ATOM 0 HH21 ARG A 72 6.737 -8.091 7.265 1.00 74.42 H new ATOM 0 HH22 ARG A 72 7.509 -8.383 8.827 1.00 74.42 H new ATOM 1219 N PHE A 73 9.069 -7.977 0.939 1.00 14.25 N ATOM 1220 CA PHE A 73 7.855 -8.054 0.123 1.00 41.42 C ATOM 1221 C PHE A 73 8.140 -8.733 -1.230 1.00 62.41 C ATOM 1222 O PHE A 73 7.924 -9.938 -1.374 1.00 65.52 O ATOM 1223 CB PHE A 73 7.248 -6.654 -0.088 1.00 22.11 C ATOM 1224 CG PHE A 73 6.354 -6.202 1.046 1.00 12.10 C ATOM 1225 CD1 PHE A 73 6.864 -5.998 2.321 1.00 45.30 C ATOM 1226 CD2 PHE A 73 5.000 -5.992 0.833 1.00 12.44 C ATOM 1227 CE1 PHE A 73 6.042 -5.594 3.355 1.00 71.42 C ATOM 1228 CE2 PHE A 73 4.176 -5.589 1.864 1.00 4.32 C ATOM 1229 CZ PHE A 73 4.698 -5.389 3.126 1.00 32.51 C ATOM 0 H PHE A 73 9.604 -7.117 0.820 1.00 14.25 H new ATOM 0 HA PHE A 73 7.129 -8.664 0.660 1.00 41.42 H new ATOM 0 HB2 PHE A 73 8.055 -5.932 -0.212 1.00 22.11 H new ATOM 0 HB3 PHE A 73 6.674 -6.652 -1.014 1.00 22.11 H new ATOM 0 HD1 PHE A 73 7.916 -6.157 2.507 1.00 45.30 H new ATOM 0 HD2 PHE A 73 4.585 -6.146 -0.152 1.00 12.44 H new ATOM 0 HE1 PHE A 73 6.452 -5.439 4.342 1.00 71.42 H new ATOM 0 HE2 PHE A 73 3.123 -5.430 1.683 1.00 4.32 H new ATOM 0 HZ PHE A 73 4.054 -5.072 3.933 1.00 32.51 H new ATOM 1239 N ASP A 74 8.633 -7.949 -2.197 1.00 74.10 N ATOM 1240 CA ASP A 74 8.961 -8.429 -3.555 1.00 30.22 C ATOM 1241 C ASP A 74 8.015 -9.551 -4.045 1.00 71.43 C ATOM 1242 O ASP A 74 8.360 -10.737 -4.020 1.00 32.25 O ATOM 1243 CB ASP A 74 10.431 -8.879 -3.609 1.00 1.44 C ATOM 1244 CG ASP A 74 10.922 -9.144 -5.021 1.00 22.12 C ATOM 1245 OD1 ASP A 74 10.439 -8.477 -5.961 1.00 12.42 O ATOM 1246 OD2 ASP A 74 11.817 -10.001 -5.196 1.00 51.33 O ATOM 0 H ASP A 74 8.819 -6.955 -2.063 1.00 74.10 H new ATOM 0 HA ASP A 74 8.814 -7.594 -4.239 1.00 30.22 H new ATOM 0 HB2 ASP A 74 11.056 -8.112 -3.151 1.00 1.44 H new ATOM 0 HB3 ASP A 74 10.550 -9.784 -3.014 1.00 1.44 H new ATOM 1251 N GLY A 75 6.815 -9.164 -4.477 1.00 53.10 N ATOM 1252 CA GLY A 75 5.824 -10.143 -4.918 1.00 41.34 C ATOM 1253 C GLY A 75 5.235 -10.947 -3.759 1.00 53.14 C ATOM 1254 O GLY A 75 5.050 -12.161 -3.859 1.00 53.31 O ATOM 0 H GLY A 75 6.509 -8.193 -4.531 1.00 53.10 H new ATOM 0 HA2 GLY A 75 5.020 -9.629 -5.444 1.00 41.34 H new ATOM 0 HA3 GLY A 75 6.286 -10.826 -5.631 1.00 41.34 H new ATOM 1258 N TYR A 76 4.933 -10.255 -2.665 1.00 32.54 N ATOM 1259 CA TYR A 76 4.421 -10.879 -1.443 1.00 21.04 C ATOM 1260 C TYR A 76 2.919 -11.191 -1.551 1.00 55.13 C ATOM 1261 O TYR A 76 2.081 -10.291 -1.599 1.00 74.31 O ATOM 1262 CB TYR A 76 4.742 -9.945 -0.259 1.00 13.22 C ATOM 1263 CG TYR A 76 3.780 -9.980 0.917 1.00 44.34 C ATOM 1264 CD1 TYR A 76 3.661 -11.099 1.732 1.00 73.24 C ATOM 1265 CD2 TYR A 76 3.012 -8.864 1.218 1.00 15.30 C ATOM 1266 CE1 TYR A 76 2.796 -11.101 2.815 1.00 20.35 C ATOM 1267 CE2 TYR A 76 2.158 -8.852 2.294 1.00 61.13 C ATOM 1268 CZ TYR A 76 2.050 -9.972 3.093 1.00 64.10 C ATOM 1269 OH TYR A 76 1.199 -9.963 4.179 1.00 1.44 O ATOM 0 H TYR A 76 5.036 -9.242 -2.598 1.00 32.54 H new ATOM 0 HA TYR A 76 4.907 -11.841 -1.284 1.00 21.04 H new ATOM 0 HB2 TYR A 76 5.738 -10.191 0.109 1.00 13.22 H new ATOM 0 HB3 TYR A 76 4.784 -8.922 -0.634 1.00 13.22 H new ATOM 0 HD1 TYR A 76 4.250 -11.979 1.519 1.00 73.24 H new ATOM 0 HD2 TYR A 76 3.087 -7.986 0.593 1.00 15.30 H new ATOM 0 HE1 TYR A 76 2.706 -11.979 3.437 1.00 20.35 H new ATOM 0 HE2 TYR A 76 1.574 -7.970 2.514 1.00 61.13 H new ATOM 0 HH TYR A 76 0.395 -9.447 3.960 1.00 1.44 H new ATOM 1279 N ILE A 77 2.593 -12.481 -1.602 1.00 4.31 N ATOM 1280 CA ILE A 77 1.206 -12.931 -1.751 1.00 53.45 C ATOM 1281 C ILE A 77 0.417 -12.784 -0.437 1.00 12.13 C ATOM 1282 O ILE A 77 0.641 -13.522 0.522 1.00 34.14 O ATOM 1283 CB ILE A 77 1.141 -14.411 -2.220 1.00 44.21 C ATOM 1284 CG1 ILE A 77 1.913 -14.599 -3.542 1.00 4.23 C ATOM 1285 CG2 ILE A 77 -0.313 -14.870 -2.376 1.00 3.21 C ATOM 1286 CD1 ILE A 77 1.322 -13.842 -4.715 1.00 11.24 C ATOM 0 H ILE A 77 3.273 -13.239 -1.542 1.00 4.31 H new ATOM 0 HA ILE A 77 0.751 -12.293 -2.509 1.00 53.45 H new ATOM 0 HB ILE A 77 1.613 -15.028 -1.456 1.00 44.21 H new ATOM 0 HG12 ILE A 77 2.944 -14.277 -3.397 1.00 4.23 H new ATOM 0 HG13 ILE A 77 1.942 -15.661 -3.786 1.00 4.23 H new ATOM 0 HG21 ILE A 77 -0.333 -15.909 -2.705 1.00 3.21 H new ATOM 0 HG22 ILE A 77 -0.827 -14.782 -1.419 1.00 3.21 H new ATOM 0 HG23 ILE A 77 -0.814 -14.245 -3.115 1.00 3.21 H new ATOM 0 HD11 ILE A 77 1.922 -14.026 -5.606 1.00 11.24 H new ATOM 0 HD12 ILE A 77 0.300 -14.180 -4.889 1.00 11.24 H new ATOM 0 HD13 ILE A 77 1.318 -12.775 -4.494 1.00 11.24 H new ATOM 1298 N PHE A 78 -0.492 -11.816 -0.395 1.00 52.21 N ATOM 1299 CA PHE A 78 -1.376 -11.631 0.761 1.00 64.53 C ATOM 1300 C PHE A 78 -2.794 -12.135 0.445 1.00 22.41 C ATOM 1301 O PHE A 78 -3.389 -11.745 -0.557 1.00 75.02 O ATOM 1302 CB PHE A 78 -1.414 -10.148 1.165 1.00 54.12 C ATOM 1303 CG PHE A 78 -2.314 -9.855 2.343 1.00 55.55 C ATOM 1304 CD1 PHE A 78 -1.927 -10.198 3.631 1.00 53.32 C ATOM 1305 CD2 PHE A 78 -3.546 -9.236 2.162 1.00 15.13 C ATOM 1306 CE1 PHE A 78 -2.747 -9.932 4.711 1.00 51.31 C ATOM 1307 CE2 PHE A 78 -4.369 -8.969 3.241 1.00 32.45 C ATOM 1308 CZ PHE A 78 -3.969 -9.318 4.516 1.00 72.31 C ATOM 0 H PHE A 78 -0.640 -11.144 -1.148 1.00 52.21 H new ATOM 0 HA PHE A 78 -0.983 -12.213 1.594 1.00 64.53 H new ATOM 0 HB2 PHE A 78 -0.402 -9.821 1.404 1.00 54.12 H new ATOM 0 HB3 PHE A 78 -1.747 -9.558 0.311 1.00 54.12 H new ATOM 0 HD1 PHE A 78 -0.973 -10.679 3.791 1.00 53.32 H new ATOM 0 HD2 PHE A 78 -3.864 -8.961 1.167 1.00 15.13 H new ATOM 0 HE1 PHE A 78 -2.432 -10.204 5.708 1.00 51.31 H new ATOM 0 HE2 PHE A 78 -5.324 -8.488 3.087 1.00 32.45 H new ATOM 0 HZ PHE A 78 -4.611 -9.111 5.360 1.00 72.31 H new ATOM 1318 N LEU A 79 -3.325 -13.004 1.301 1.00 13.42 N ATOM 1319 CA LEU A 79 -4.658 -13.586 1.092 1.00 23.14 C ATOM 1320 C LEU A 79 -5.732 -12.893 1.948 1.00 1.33 C ATOM 1321 O LEU A 79 -5.569 -12.726 3.158 1.00 51.34 O ATOM 1322 CB LEU A 79 -4.628 -15.087 1.411 1.00 44.43 C ATOM 1323 CG LEU A 79 -3.851 -15.954 0.404 1.00 13.22 C ATOM 1324 CD1 LEU A 79 -3.667 -17.373 0.937 1.00 62.23 C ATOM 1325 CD2 LEU A 79 -4.571 -15.983 -0.939 1.00 25.03 C ATOM 0 H LEU A 79 -2.856 -13.324 2.148 1.00 13.42 H new ATOM 0 HA LEU A 79 -4.922 -13.434 0.045 1.00 23.14 H new ATOM 0 HB2 LEU A 79 -4.189 -15.224 2.399 1.00 44.43 H new ATOM 0 HB3 LEU A 79 -5.654 -15.452 1.465 1.00 44.43 H new ATOM 0 HG LEU A 79 -2.865 -15.511 0.264 1.00 13.22 H new ATOM 0 HD11 LEU A 79 -3.115 -17.967 0.208 1.00 62.23 H new ATOM 0 HD12 LEU A 79 -3.111 -17.340 1.874 1.00 62.23 H new ATOM 0 HD13 LEU A 79 -4.643 -17.826 1.110 1.00 62.23 H new ATOM 0 HD21 LEU A 79 -4.009 -16.600 -1.640 1.00 25.03 H new ATOM 0 HD22 LEU A 79 -5.569 -16.400 -0.808 1.00 25.03 H new ATOM 0 HD23 LEU A 79 -4.650 -14.969 -1.331 1.00 25.03 H new ATOM 1337 N ASP A 80 -6.826 -12.492 1.303 1.00 22.24 N ATOM 1338 CA ASP A 80 -7.984 -11.919 1.999 1.00 4.44 C ATOM 1339 C ASP A 80 -8.714 -12.990 2.837 1.00 32.34 C ATOM 1340 O ASP A 80 -8.396 -14.178 2.752 1.00 40.23 O ATOM 1341 CB ASP A 80 -8.944 -11.315 0.962 1.00 33.30 C ATOM 1342 CG ASP A 80 -10.113 -10.581 1.592 1.00 5.52 C ATOM 1343 OD1 ASP A 80 -9.920 -9.437 2.047 1.00 11.31 O ATOM 1344 OD2 ASP A 80 -11.223 -11.153 1.654 1.00 71.13 O ATOM 0 H ASP A 80 -6.938 -12.553 0.291 1.00 22.24 H new ATOM 0 HA ASP A 80 -7.637 -11.142 2.680 1.00 4.44 H new ATOM 0 HB2 ASP A 80 -8.392 -10.626 0.322 1.00 33.30 H new ATOM 0 HB3 ASP A 80 -9.325 -12.110 0.321 1.00 33.30 H new ATOM 1349 N SER A 81 -9.693 -12.568 3.637 1.00 33.23 N ATOM 1350 CA SER A 81 -10.535 -13.505 4.399 1.00 52.41 C ATOM 1351 C SER A 81 -11.224 -14.518 3.468 1.00 45.33 C ATOM 1352 O SER A 81 -11.437 -15.673 3.836 1.00 34.31 O ATOM 1353 CB SER A 81 -11.598 -12.743 5.204 1.00 34.50 C ATOM 1354 OG SER A 81 -11.006 -11.872 6.156 1.00 10.05 O ATOM 0 H SER A 81 -9.927 -11.585 3.778 1.00 33.23 H new ATOM 0 HA SER A 81 -9.884 -14.048 5.084 1.00 52.41 H new ATOM 0 HB2 SER A 81 -12.227 -12.167 4.525 1.00 34.50 H new ATOM 0 HB3 SER A 81 -12.248 -13.454 5.715 1.00 34.50 H new ATOM 0 HG SER A 81 -11.709 -11.401 6.650 1.00 10.05 H new ATOM 1360 N LYS A 82 -11.566 -14.071 2.259 1.00 54.40 N ATOM 1361 CA LYS A 82 -12.165 -14.943 1.235 1.00 73.13 C ATOM 1362 C LYS A 82 -11.099 -15.681 0.402 1.00 2.34 C ATOM 1363 O LYS A 82 -11.419 -16.336 -0.589 1.00 73.53 O ATOM 1364 CB LYS A 82 -13.077 -14.117 0.313 1.00 73.14 C ATOM 1365 CG LYS A 82 -14.428 -13.772 0.934 1.00 63.04 C ATOM 1366 CD LYS A 82 -15.279 -15.022 1.148 1.00 4.53 C ATOM 1367 CE LYS A 82 -16.643 -14.687 1.738 1.00 52.52 C ATOM 1368 NZ LYS A 82 -17.508 -15.890 1.861 1.00 35.34 N ATOM 0 H LYS A 82 -11.439 -13.104 1.959 1.00 54.40 H new ATOM 0 HA LYS A 82 -12.753 -15.700 1.753 1.00 73.13 H new ATOM 0 HB2 LYS A 82 -12.565 -13.193 0.043 1.00 73.14 H new ATOM 0 HB3 LYS A 82 -13.243 -14.671 -0.611 1.00 73.14 H new ATOM 0 HG2 LYS A 82 -14.273 -13.268 1.888 1.00 63.04 H new ATOM 0 HG3 LYS A 82 -14.960 -13.074 0.287 1.00 63.04 H new ATOM 0 HD2 LYS A 82 -15.412 -15.538 0.197 1.00 4.53 H new ATOM 0 HD3 LYS A 82 -14.755 -15.709 1.813 1.00 4.53 H new ATOM 0 HE2 LYS A 82 -16.511 -14.233 2.720 1.00 52.52 H new ATOM 0 HE3 LYS A 82 -17.138 -13.947 1.109 1.00 52.52 H new ATOM 0 HZ1 LYS A 82 -18.426 -15.617 2.266 1.00 35.34 H new ATOM 0 HZ2 LYS A 82 -17.656 -16.309 0.921 1.00 35.34 H new ATOM 0 HZ3 LYS A 82 -17.048 -16.586 2.482 1.00 35.34 H new ATOM 1382 N GLY A 83 -9.837 -15.579 0.814 1.00 21.44 N ATOM 1383 CA GLY A 83 -8.751 -16.266 0.115 1.00 23.30 C ATOM 1384 C GLY A 83 -8.371 -15.619 -1.215 1.00 73.54 C ATOM 1385 O GLY A 83 -7.925 -16.303 -2.139 1.00 23.43 O ATOM 0 H GLY A 83 -9.542 -15.032 1.622 1.00 21.44 H new ATOM 0 HA2 GLY A 83 -7.873 -16.291 0.761 1.00 23.30 H new ATOM 0 HA3 GLY A 83 -9.044 -17.301 -0.065 1.00 23.30 H new ATOM 1389 N LEU A 84 -8.540 -14.303 -1.316 1.00 62.31 N ATOM 1390 CA LEU A 84 -8.179 -13.570 -2.537 1.00 13.40 C ATOM 1391 C LEU A 84 -6.667 -13.286 -2.587 1.00 32.05 C ATOM 1392 O LEU A 84 -6.116 -12.665 -1.676 1.00 20.01 O ATOM 1393 CB LEU A 84 -8.970 -12.255 -2.617 1.00 62.01 C ATOM 1394 CG LEU A 84 -10.503 -12.406 -2.606 1.00 50.03 C ATOM 1395 CD1 LEU A 84 -11.184 -11.038 -2.631 1.00 0.33 C ATOM 1396 CD2 LEU A 84 -10.970 -13.262 -3.784 1.00 32.10 C ATOM 0 H LEU A 84 -8.923 -13.720 -0.572 1.00 62.31 H new ATOM 0 HA LEU A 84 -8.434 -14.192 -3.395 1.00 13.40 H new ATOM 0 HB2 LEU A 84 -8.678 -11.623 -1.778 1.00 62.01 H new ATOM 0 HB3 LEU A 84 -8.680 -11.731 -3.527 1.00 62.01 H new ATOM 0 HG LEU A 84 -10.787 -12.910 -1.682 1.00 50.03 H new ATOM 0 HD11 LEU A 84 -12.266 -11.170 -2.623 1.00 0.33 H new ATOM 0 HD12 LEU A 84 -10.882 -10.465 -1.754 1.00 0.33 H new ATOM 0 HD13 LEU A 84 -10.891 -10.502 -3.534 1.00 0.33 H new ATOM 0 HD21 LEU A 84 -12.056 -13.356 -3.758 1.00 32.10 H new ATOM 0 HD22 LEU A 84 -10.669 -12.789 -4.719 1.00 32.10 H new ATOM 0 HD23 LEU A 84 -10.518 -14.252 -3.716 1.00 32.10 H new ATOM 1408 N GLU A 85 -6.007 -13.749 -3.650 1.00 3.23 N ATOM 1409 CA GLU A 85 -4.552 -13.599 -3.799 1.00 72.50 C ATOM 1410 C GLU A 85 -4.153 -12.177 -4.237 1.00 33.43 C ATOM 1411 O GLU A 85 -4.472 -11.746 -5.346 1.00 41.54 O ATOM 1412 CB GLU A 85 -4.022 -14.613 -4.827 1.00 73.22 C ATOM 1413 CG GLU A 85 -4.319 -16.068 -4.475 1.00 5.05 C ATOM 1414 CD GLU A 85 -3.784 -17.049 -5.508 1.00 53.54 C ATOM 1415 OE1 GLU A 85 -4.494 -17.329 -6.498 1.00 63.14 O ATOM 1416 OE2 GLU A 85 -2.653 -17.549 -5.336 1.00 12.52 O ATOM 0 H GLU A 85 -6.457 -14.234 -4.426 1.00 3.23 H new ATOM 0 HA GLU A 85 -4.108 -13.785 -2.821 1.00 72.50 H new ATOM 0 HB2 GLU A 85 -4.458 -14.389 -5.801 1.00 73.22 H new ATOM 0 HB3 GLU A 85 -2.944 -14.486 -4.924 1.00 73.22 H new ATOM 0 HG2 GLU A 85 -3.882 -16.298 -3.503 1.00 5.05 H new ATOM 0 HG3 GLU A 85 -5.397 -16.201 -4.380 1.00 5.05 H new ATOM 1423 N TYR A 86 -3.456 -11.454 -3.361 1.00 55.44 N ATOM 1424 CA TYR A 86 -2.921 -10.126 -3.694 1.00 23.43 C ATOM 1425 C TYR A 86 -1.383 -10.163 -3.781 1.00 65.02 C ATOM 1426 O TYR A 86 -0.700 -10.198 -2.756 1.00 0.42 O ATOM 1427 CB TYR A 86 -3.344 -9.091 -2.637 1.00 21.44 C ATOM 1428 CG TYR A 86 -4.834 -9.064 -2.352 1.00 63.41 C ATOM 1429 CD1 TYR A 86 -5.751 -8.784 -3.358 1.00 43.33 C ATOM 1430 CD2 TYR A 86 -5.319 -9.313 -1.073 1.00 34.24 C ATOM 1431 CE1 TYR A 86 -7.107 -8.756 -3.097 1.00 52.43 C ATOM 1432 CE2 TYR A 86 -6.671 -9.286 -0.806 1.00 3.43 C ATOM 1433 CZ TYR A 86 -7.561 -9.007 -1.821 1.00 65.54 C ATOM 1434 OH TYR A 86 -8.911 -8.984 -1.560 1.00 73.11 O ATOM 0 H TYR A 86 -3.246 -11.763 -2.412 1.00 55.44 H new ATOM 0 HA TYR A 86 -3.327 -9.838 -4.663 1.00 23.43 H new ATOM 0 HB2 TYR A 86 -2.812 -9.299 -1.709 1.00 21.44 H new ATOM 0 HB3 TYR A 86 -3.031 -8.101 -2.969 1.00 21.44 H new ATOM 0 HD1 TYR A 86 -5.398 -8.585 -4.359 1.00 43.33 H new ATOM 0 HD2 TYR A 86 -4.625 -9.531 -0.275 1.00 34.24 H new ATOM 0 HE1 TYR A 86 -7.808 -8.538 -3.889 1.00 52.43 H new ATOM 0 HE2 TYR A 86 -7.031 -9.482 0.193 1.00 3.43 H new ATOM 0 HH TYR A 86 -9.060 -8.704 -0.633 1.00 73.11 H new ATOM 1444 N PRO A 87 -0.808 -10.185 -5.002 1.00 74.20 N ATOM 1445 CA PRO A 87 0.652 -10.185 -5.183 1.00 63.12 C ATOM 1446 C PRO A 87 1.280 -8.799 -4.956 1.00 44.41 C ATOM 1447 O PRO A 87 1.433 -8.005 -5.886 1.00 12.53 O ATOM 1448 CB PRO A 87 0.822 -10.650 -6.633 1.00 63.10 C ATOM 1449 CG PRO A 87 -0.419 -10.184 -7.323 1.00 51.34 C ATOM 1450 CD PRO A 87 -1.526 -10.226 -6.293 1.00 11.04 C ATOM 0 HA PRO A 87 1.158 -10.824 -4.460 1.00 63.12 H new ATOM 0 HB2 PRO A 87 1.714 -10.218 -7.086 1.00 63.10 H new ATOM 0 HB3 PRO A 87 0.927 -11.733 -6.693 1.00 63.10 H new ATOM 0 HG2 PRO A 87 -0.290 -9.174 -7.713 1.00 51.34 H new ATOM 0 HG3 PRO A 87 -0.655 -10.826 -8.172 1.00 51.34 H new ATOM 0 HD2 PRO A 87 -2.205 -9.380 -6.400 1.00 11.04 H new ATOM 0 HD3 PRO A 87 -2.127 -11.130 -6.388 1.00 11.04 H new ATOM 1458 N ALA A 88 1.623 -8.510 -3.704 1.00 35.02 N ATOM 1459 CA ALA A 88 2.220 -7.223 -3.339 1.00 51.11 C ATOM 1460 C ALA A 88 3.614 -7.034 -3.969 1.00 42.34 C ATOM 1461 O ALA A 88 4.629 -7.467 -3.418 1.00 44.30 O ATOM 1462 CB ALA A 88 2.288 -7.091 -1.820 1.00 4.01 C ATOM 0 H ALA A 88 1.498 -9.151 -2.920 1.00 35.02 H new ATOM 0 HA ALA A 88 1.582 -6.434 -3.737 1.00 51.11 H new ATOM 0 HB1 ALA A 88 2.733 -6.131 -1.558 1.00 4.01 H new ATOM 0 HB2 ALA A 88 1.282 -7.150 -1.404 1.00 4.01 H new ATOM 0 HB3 ALA A 88 2.897 -7.897 -1.412 1.00 4.01 H new ATOM 1468 N VAL A 89 3.644 -6.408 -5.145 1.00 12.33 N ATOM 1469 CA VAL A 89 4.900 -6.101 -5.846 1.00 31.40 C ATOM 1470 C VAL A 89 5.359 -4.668 -5.528 1.00 20.41 C ATOM 1471 O VAL A 89 4.536 -3.777 -5.352 1.00 0.13 O ATOM 1472 CB VAL A 89 4.736 -6.256 -7.384 1.00 32.51 C ATOM 1473 CG1 VAL A 89 6.059 -6.004 -8.106 1.00 23.53 C ATOM 1474 CG2 VAL A 89 4.178 -7.635 -7.732 1.00 42.22 C ATOM 0 H VAL A 89 2.807 -6.099 -5.640 1.00 12.33 H new ATOM 0 HA VAL A 89 5.652 -6.810 -5.498 1.00 31.40 H new ATOM 0 HB VAL A 89 4.023 -5.505 -7.724 1.00 32.51 H new ATOM 0 HG11 VAL A 89 5.915 -6.119 -9.180 1.00 23.53 H new ATOM 0 HG12 VAL A 89 6.403 -4.992 -7.892 1.00 23.53 H new ATOM 0 HG13 VAL A 89 6.804 -6.721 -7.761 1.00 23.53 H new ATOM 0 HG21 VAL A 89 4.071 -7.722 -8.813 1.00 42.22 H new ATOM 0 HG22 VAL A 89 4.860 -8.405 -7.372 1.00 42.22 H new ATOM 0 HG23 VAL A 89 3.204 -7.763 -7.260 1.00 42.22 H new ATOM 1484 N VAL A 90 6.669 -4.447 -5.451 1.00 41.25 N ATOM 1485 CA VAL A 90 7.210 -3.120 -5.121 1.00 13.20 C ATOM 1486 C VAL A 90 7.826 -2.434 -6.356 1.00 72.04 C ATOM 1487 O VAL A 90 8.576 -3.055 -7.115 1.00 34.41 O ATOM 1488 CB VAL A 90 8.279 -3.222 -4.002 1.00 10.13 C ATOM 1489 CG1 VAL A 90 8.789 -1.835 -3.606 1.00 44.10 C ATOM 1490 CG2 VAL A 90 7.720 -3.968 -2.786 1.00 2.03 C ATOM 0 H VAL A 90 7.378 -5.163 -5.611 1.00 41.25 H new ATOM 0 HA VAL A 90 6.375 -2.514 -4.769 1.00 13.20 H new ATOM 0 HB VAL A 90 9.124 -3.791 -4.390 1.00 10.13 H new ATOM 0 HG11 VAL A 90 9.538 -1.933 -2.820 1.00 44.10 H new ATOM 0 HG12 VAL A 90 9.236 -1.350 -4.474 1.00 44.10 H new ATOM 0 HG13 VAL A 90 7.957 -1.232 -3.242 1.00 44.10 H new ATOM 0 HG21 VAL A 90 8.486 -4.029 -2.013 1.00 2.03 H new ATOM 0 HG22 VAL A 90 6.854 -3.433 -2.398 1.00 2.03 H new ATOM 0 HG23 VAL A 90 7.422 -4.974 -3.082 1.00 2.03 H new ATOM 1500 N GLU A 91 7.510 -1.153 -6.552 1.00 20.41 N ATOM 1501 CA GLU A 91 8.048 -0.380 -7.680 1.00 71.53 C ATOM 1502 C GLU A 91 8.263 1.092 -7.287 1.00 64.31 C ATOM 1503 O GLU A 91 7.631 1.590 -6.358 1.00 54.42 O ATOM 1504 CB GLU A 91 7.101 -0.468 -8.889 1.00 34.40 C ATOM 1505 CG GLU A 91 5.771 0.267 -8.708 1.00 31.11 C ATOM 1506 CD GLU A 91 4.866 0.153 -9.928 1.00 70.40 C ATOM 1507 OE1 GLU A 91 5.341 0.408 -11.056 1.00 72.23 O ATOM 1508 OE2 GLU A 91 3.680 -0.211 -9.769 1.00 71.23 O ATOM 0 H GLU A 91 6.883 -0.625 -5.945 1.00 20.41 H new ATOM 0 HA GLU A 91 9.013 -0.808 -7.952 1.00 71.53 H new ATOM 0 HB2 GLU A 91 7.610 -0.062 -9.763 1.00 34.40 H new ATOM 0 HB3 GLU A 91 6.896 -1.518 -9.098 1.00 34.40 H new ATOM 0 HG2 GLU A 91 5.253 -0.136 -7.838 1.00 31.11 H new ATOM 0 HG3 GLU A 91 5.967 1.319 -8.503 1.00 31.11 H new ATOM 1515 N PHE A 92 9.152 1.789 -7.993 1.00 31.42 N ATOM 1516 CA PHE A 92 9.439 3.198 -7.682 1.00 5.44 C ATOM 1517 C PHE A 92 8.684 4.133 -8.639 1.00 60.33 C ATOM 1518 O PHE A 92 8.438 3.790 -9.798 1.00 32.22 O ATOM 1519 CB PHE A 92 10.955 3.478 -7.753 1.00 51.11 C ATOM 1520 CG PHE A 92 11.491 3.702 -9.152 1.00 44.22 C ATOM 1521 CD1 PHE A 92 11.655 2.645 -10.032 1.00 63.35 C ATOM 1522 CD2 PHE A 92 11.833 4.980 -9.582 1.00 63.21 C ATOM 1523 CE1 PHE A 92 12.145 2.853 -11.308 1.00 1.42 C ATOM 1524 CE2 PHE A 92 12.323 5.193 -10.856 1.00 42.40 C ATOM 1525 CZ PHE A 92 12.479 4.127 -11.720 1.00 71.13 C ATOM 0 H PHE A 92 9.684 1.411 -8.777 1.00 31.42 H new ATOM 0 HA PHE A 92 9.097 3.392 -6.665 1.00 5.44 H new ATOM 0 HB2 PHE A 92 11.177 4.357 -7.148 1.00 51.11 H new ATOM 0 HB3 PHE A 92 11.487 2.639 -7.304 1.00 51.11 H new ATOM 0 HD1 PHE A 92 11.397 1.645 -9.717 1.00 63.35 H new ATOM 0 HD2 PHE A 92 11.714 5.817 -8.910 1.00 63.21 H new ATOM 0 HE1 PHE A 92 12.266 2.018 -11.982 1.00 1.42 H new ATOM 0 HE2 PHE A 92 12.584 6.191 -11.176 1.00 42.40 H new ATOM 0 HZ PHE A 92 12.862 4.290 -12.717 1.00 71.13 H new ATOM 1535 N ALA A 93 8.312 5.313 -8.150 1.00 70.32 N ATOM 1536 CA ALA A 93 7.671 6.325 -8.994 1.00 0.15 C ATOM 1537 C ALA A 93 8.726 7.103 -9.800 1.00 65.03 C ATOM 1538 O ALA A 93 9.738 7.538 -9.244 1.00 22.43 O ATOM 1539 CB ALA A 93 6.830 7.276 -8.147 1.00 43.53 C ATOM 0 H ALA A 93 8.441 5.594 -7.178 1.00 70.32 H new ATOM 0 HA ALA A 93 7.009 5.818 -9.696 1.00 0.15 H new ATOM 0 HB1 ALA A 93 6.362 8.020 -8.792 1.00 43.53 H new ATOM 0 HB2 ALA A 93 6.058 6.712 -7.624 1.00 43.53 H new ATOM 0 HB3 ALA A 93 7.469 7.776 -7.419 1.00 43.53 H new