USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=8 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 180:sc= 0 (180deg=0) 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= -1.06 K(o=-1.1,f=-0.16) USER MOD Single : A 29 GLN : amide:sc= -1.93 K(o=-1.9,f=-3.5!) USER MOD Single : A 36 HIS : no HD1:sc= -0.825 K(o=-0.82,f=-2.6) 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 1:sc= 0.31 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.42! C(o=-3.4!,f=-9.9!) USER MOD Single : A 62 ASN : amide:sc= -1.94 K(o=-1.9,f=-5.5!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 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 -165:sc= -0.988 USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 13.507 8.718 -1.781 1.00 62.12 N ATOM 147 CA HIS A 10 12.826 8.408 -3.042 1.00 71.33 C ATOM 148 C HIS A 10 11.441 7.795 -2.778 1.00 60.23 C ATOM 149 O HIS A 10 11.332 6.756 -2.129 1.00 61.24 O ATOM 150 CB HIS A 10 13.679 7.443 -3.879 1.00 73.23 C ATOM 151 CG HIS A 10 15.049 7.972 -4.189 1.00 24.13 C ATOM 152 ND1 HIS A 10 16.176 7.605 -3.488 1.00 14.41 N ATOM 153 CD2 HIS A 10 15.470 8.852 -5.128 1.00 33.44 C ATOM 154 CE1 HIS A 10 17.225 8.232 -3.979 1.00 73.24 C ATOM 155 NE2 HIS A 10 16.828 8.996 -4.977 1.00 24.13 N ATOM 0 HA HIS A 10 12.691 9.337 -3.596 1.00 71.33 H new ATOM 0 HB2 HIS A 10 13.775 6.498 -3.344 1.00 73.23 H new ATOM 0 HB3 HIS A 10 13.160 7.229 -4.814 1.00 73.23 H new ATOM 0 HD2 HIS A 10 14.852 9.349 -5.861 1.00 33.44 H new ATOM 0 HE1 HIS A 10 18.240 8.136 -3.623 1.00 73.24 H new ATOM 0 HE2 HIS A 10 17.429 9.595 -5.543 1.00 24.13 H new ATOM 164 N MET A 11 10.390 8.448 -3.276 1.00 75.41 N ATOM 165 CA MET A 11 9.015 7.968 -3.078 1.00 44.34 C ATOM 166 C MET A 11 8.773 6.607 -3.756 1.00 55.25 C ATOM 167 O MET A 11 9.369 6.293 -4.787 1.00 62.40 O ATOM 168 CB MET A 11 8.000 9.005 -3.583 1.00 60.52 C ATOM 169 CG MET A 11 8.170 9.399 -5.044 1.00 4.51 C ATOM 170 SD MET A 11 6.938 10.607 -5.569 1.00 11.30 S ATOM 171 CE MET A 11 7.464 10.930 -7.248 1.00 33.53 C ATOM 0 H MET A 11 10.461 9.309 -3.819 1.00 75.41 H new ATOM 0 HA MET A 11 8.875 7.829 -2.006 1.00 44.34 H new ATOM 0 HB2 MET A 11 6.995 8.609 -3.442 1.00 60.52 H new ATOM 0 HB3 MET A 11 8.079 9.901 -2.967 1.00 60.52 H new ATOM 0 HG2 MET A 11 9.168 9.811 -5.194 1.00 4.51 H new ATOM 0 HG3 MET A 11 8.095 8.510 -5.670 1.00 4.51 H new ATOM 0 HE1 MET A 11 6.796 11.661 -7.704 1.00 33.53 H new ATOM 0 HE2 MET A 11 8.481 11.322 -7.242 1.00 33.53 H new ATOM 0 HE3 MET A 11 7.436 10.004 -7.823 1.00 33.53 H new ATOM 181 N VAL A 12 7.876 5.814 -3.171 1.00 62.30 N ATOM 182 CA VAL A 12 7.626 4.440 -3.625 1.00 71.21 C ATOM 183 C VAL A 12 6.123 4.198 -3.884 1.00 75.41 C ATOM 184 O VAL A 12 5.266 4.930 -3.387 1.00 61.10 O ATOM 185 CB VAL A 12 8.146 3.427 -2.562 1.00 64.55 C ATOM 186 CG1 VAL A 12 7.911 1.978 -2.989 1.00 71.34 C ATOM 187 CG2 VAL A 12 9.629 3.666 -2.270 1.00 31.23 C ATOM 0 H VAL A 12 7.305 6.099 -2.376 1.00 62.30 H new ATOM 0 HA VAL A 12 8.161 4.293 -4.564 1.00 71.21 H new ATOM 0 HB VAL A 12 7.575 3.594 -1.649 1.00 64.55 H new ATOM 0 HG11 VAL A 12 8.289 1.306 -2.219 1.00 71.34 H new ATOM 0 HG12 VAL A 12 6.843 1.808 -3.127 1.00 71.34 H new ATOM 0 HG13 VAL A 12 8.433 1.786 -3.926 1.00 71.34 H new ATOM 0 HG21 VAL A 12 9.973 2.949 -1.525 1.00 31.23 H new ATOM 0 HG22 VAL A 12 10.205 3.542 -3.187 1.00 31.23 H new ATOM 0 HG23 VAL A 12 9.766 4.678 -1.890 1.00 31.23 H new ATOM 197 N VAL A 13 5.808 3.181 -4.685 1.00 11.54 N ATOM 198 CA VAL A 13 4.420 2.774 -4.926 1.00 12.13 C ATOM 199 C VAL A 13 4.260 1.257 -4.752 1.00 11.54 C ATOM 200 O VAL A 13 5.229 0.501 -4.852 1.00 24.34 O ATOM 201 CB VAL A 13 3.936 3.174 -6.345 1.00 13.34 C ATOM 202 CG1 VAL A 13 3.931 4.691 -6.510 1.00 52.10 C ATOM 203 CG2 VAL A 13 4.800 2.514 -7.422 1.00 32.42 C ATOM 0 H VAL A 13 6.499 2.619 -5.182 1.00 11.54 H new ATOM 0 HA VAL A 13 3.808 3.297 -4.191 1.00 12.13 H new ATOM 0 HB VAL A 13 2.913 2.817 -6.465 1.00 13.34 H new ATOM 0 HG11 VAL A 13 3.588 4.947 -7.513 1.00 52.10 H new ATOM 0 HG12 VAL A 13 3.262 5.135 -5.773 1.00 52.10 H new ATOM 0 HG13 VAL A 13 4.940 5.076 -6.362 1.00 52.10 H new ATOM 0 HG21 VAL A 13 4.441 2.810 -8.408 1.00 32.42 H new ATOM 0 HG22 VAL A 13 5.836 2.832 -7.303 1.00 32.42 H new ATOM 0 HG23 VAL A 13 4.739 1.430 -7.324 1.00 32.42 H new ATOM 213 N ILE A 14 3.039 0.810 -4.484 1.00 54.31 N ATOM 214 CA ILE A 14 2.762 -0.618 -4.351 1.00 41.22 C ATOM 215 C ILE A 14 1.770 -1.076 -5.436 1.00 30.51 C ATOM 216 O ILE A 14 0.613 -0.657 -5.473 1.00 55.11 O ATOM 217 CB ILE A 14 2.249 -0.959 -2.924 1.00 42.11 C ATOM 218 CG1 ILE A 14 2.138 -2.477 -2.736 1.00 41.11 C ATOM 219 CG2 ILE A 14 0.916 -0.267 -2.625 1.00 51.50 C ATOM 220 CD1 ILE A 14 1.810 -2.886 -1.317 1.00 30.33 C ATOM 0 H ILE A 14 2.226 1.412 -4.355 1.00 54.31 H new ATOM 0 HA ILE A 14 3.694 -1.165 -4.496 1.00 41.22 H new ATOM 0 HB ILE A 14 2.979 -0.580 -2.209 1.00 42.11 H new ATOM 0 HG12 ILE A 14 1.368 -2.863 -3.404 1.00 41.11 H new ATOM 0 HG13 ILE A 14 3.079 -2.942 -3.032 1.00 41.11 H new ATOM 0 HG21 ILE A 14 0.588 -0.528 -1.619 1.00 51.50 H new ATOM 0 HG22 ILE A 14 1.043 0.813 -2.696 1.00 51.50 H new ATOM 0 HG23 ILE A 14 0.167 -0.593 -3.347 1.00 51.50 H new ATOM 0 HD11 ILE A 14 1.747 -3.973 -1.257 1.00 30.33 H new ATOM 0 HD12 ILE A 14 2.592 -2.530 -0.646 1.00 30.33 H new ATOM 0 HD13 ILE A 14 0.855 -2.450 -1.024 1.00 30.33 H new ATOM 232 N ARG A 15 2.256 -1.916 -6.344 1.00 54.23 N ATOM 233 CA ARG A 15 1.493 -2.315 -7.532 1.00 13.33 C ATOM 234 C ARG A 15 0.819 -3.688 -7.371 1.00 21.33 C ATOM 235 O ARG A 15 1.080 -4.416 -6.410 1.00 44.14 O ATOM 236 CB ARG A 15 2.427 -2.347 -8.749 1.00 24.43 C ATOM 237 CG ARG A 15 3.141 -1.027 -9.029 1.00 14.01 C ATOM 238 CD ARG A 15 2.162 0.102 -9.343 1.00 63.04 C ATOM 239 NE ARG A 15 1.280 -0.226 -10.465 1.00 2.23 N ATOM 240 CZ ARG A 15 1.031 0.573 -11.467 1.00 20.30 C ATOM 241 NH1 ARG A 15 1.627 1.717 -11.563 1.00 15.35 N ATOM 242 NH2 ARG A 15 0.203 0.211 -12.388 1.00 64.15 N ATOM 0 H ARG A 15 3.182 -2.339 -6.283 1.00 54.23 H new ATOM 0 HA ARG A 15 0.701 -1.579 -7.671 1.00 13.33 H new ATOM 0 HB2 ARG A 15 3.175 -3.126 -8.598 1.00 24.43 H new ATOM 0 HB3 ARG A 15 1.848 -2.627 -9.629 1.00 24.43 H new ATOM 0 HG2 ARG A 15 3.745 -0.752 -8.164 1.00 14.01 H new ATOM 0 HG3 ARG A 15 3.825 -1.156 -9.868 1.00 14.01 H new ATOM 0 HD2 ARG A 15 1.560 0.314 -8.460 1.00 63.04 H new ATOM 0 HD3 ARG A 15 2.719 1.010 -9.575 1.00 63.04 H new ATOM 0 HE ARG A 15 0.829 -1.141 -10.464 1.00 2.23 H new ATOM 0 HH11 ARG A 15 2.299 2.003 -10.851 1.00 15.35 H new ATOM 0 HH12 ARG A 15 1.425 2.333 -12.350 1.00 15.35 H new ATOM 0 HH21 ARG A 15 -0.256 -0.698 -12.333 1.00 64.15 H new ATOM 0 HH22 ARG A 15 0.007 0.834 -13.172 1.00 64.15 H new ATOM 256 N ARG A 16 -0.045 -4.017 -8.339 1.00 53.22 N ATOM 257 CA ARG A 16 -0.737 -5.315 -8.402 1.00 72.04 C ATOM 258 C ARG A 16 -1.860 -5.419 -7.350 1.00 25.43 C ATOM 259 O ARG A 16 -2.182 -6.505 -6.863 1.00 43.44 O ATOM 260 CB ARG A 16 0.274 -6.466 -8.257 1.00 63.23 C ATOM 261 CG ARG A 16 -0.252 -7.833 -8.686 1.00 34.52 C ATOM 262 CD ARG A 16 -0.537 -7.895 -10.183 1.00 23.43 C ATOM 263 NE ARG A 16 -0.986 -9.225 -10.594 1.00 51.32 N ATOM 264 CZ ARG A 16 -0.649 -9.807 -11.714 1.00 72.40 C ATOM 265 NH1 ARG A 16 0.092 -9.196 -12.583 1.00 42.22 N ATOM 266 NH2 ARG A 16 -1.065 -11.006 -11.968 1.00 63.45 N ATOM 0 H ARG A 16 -0.287 -3.389 -9.105 1.00 53.22 H new ATOM 0 HA ARG A 16 -1.213 -5.394 -9.379 1.00 72.04 H new ATOM 0 HB2 ARG A 16 1.159 -6.231 -8.848 1.00 63.23 H new ATOM 0 HB3 ARG A 16 0.591 -6.524 -7.216 1.00 63.23 H new ATOM 0 HG2 ARG A 16 0.477 -8.600 -8.424 1.00 34.52 H new ATOM 0 HG3 ARG A 16 -1.164 -8.059 -8.134 1.00 34.52 H new ATOM 0 HD2 ARG A 16 -1.299 -7.159 -10.439 1.00 23.43 H new ATOM 0 HD3 ARG A 16 0.363 -7.628 -10.736 1.00 23.43 H new ATOM 0 HE ARG A 16 -1.605 -9.733 -9.962 1.00 51.32 H new ATOM 0 HH11 ARG A 16 0.420 -8.248 -12.397 1.00 42.22 H new ATOM 0 HH12 ARG A 16 0.347 -9.663 -13.453 1.00 42.22 H new ATOM 0 HH21 ARG A 16 -1.655 -11.495 -11.294 1.00 63.45 H new ATOM 0 HH22 ARG A 16 -0.803 -11.462 -12.842 1.00 63.45 H new ATOM 280 N LEU A 17 -2.468 -4.279 -7.025 1.00 15.32 N ATOM 281 CA LEU A 17 -3.611 -4.231 -6.100 1.00 11.00 C ATOM 282 C LEU A 17 -4.951 -4.166 -6.864 1.00 24.22 C ATOM 283 O LEU A 17 -5.321 -3.114 -7.394 1.00 74.34 O ATOM 284 CB LEU A 17 -3.502 -3.017 -5.155 1.00 71.24 C ATOM 285 CG LEU A 17 -2.604 -3.195 -3.915 1.00 51.13 C ATOM 286 CD1 LEU A 17 -3.131 -4.318 -3.024 1.00 75.11 C ATOM 287 CD2 LEU A 17 -1.152 -3.453 -4.310 1.00 1.34 C ATOM 0 H LEU A 17 -2.189 -3.368 -7.389 1.00 15.32 H new ATOM 0 HA LEU A 17 -3.588 -5.148 -5.512 1.00 11.00 H new ATOM 0 HB2 LEU A 17 -3.128 -2.169 -5.729 1.00 71.24 H new ATOM 0 HB3 LEU A 17 -4.505 -2.756 -4.817 1.00 71.24 H new ATOM 0 HG LEU A 17 -2.632 -2.264 -3.349 1.00 51.13 H new ATOM 0 HD11 LEU A 17 -2.483 -4.427 -2.154 1.00 75.11 H new ATOM 0 HD12 LEU A 17 -4.142 -4.077 -2.695 1.00 75.11 H new ATOM 0 HD13 LEU A 17 -3.145 -5.252 -3.586 1.00 75.11 H new ATOM 0 HD21 LEU A 17 -0.547 -3.574 -3.412 1.00 1.34 H new ATOM 0 HD22 LEU A 17 -1.094 -4.360 -4.911 1.00 1.34 H new ATOM 0 HD23 LEU A 17 -0.777 -2.609 -4.889 1.00 1.34 H new ATOM 299 N PRO A 18 -5.679 -5.297 -6.960 1.00 43.03 N ATOM 300 CA PRO A 18 -7.035 -5.325 -7.523 1.00 21.14 C ATOM 301 C PRO A 18 -8.119 -4.997 -6.470 1.00 21.43 C ATOM 302 O PRO A 18 -7.856 -5.036 -5.264 1.00 24.34 O ATOM 303 CB PRO A 18 -7.156 -6.777 -7.996 1.00 1.10 C ATOM 304 CG PRO A 18 -6.349 -7.555 -7.009 1.00 31.54 C ATOM 305 CD PRO A 18 -5.226 -6.646 -6.564 1.00 34.01 C ATOM 0 HA PRO A 18 -7.184 -4.582 -8.306 1.00 21.14 H new ATOM 0 HB2 PRO A 18 -8.195 -7.106 -8.008 1.00 1.10 H new ATOM 0 HB3 PRO A 18 -6.771 -6.899 -9.009 1.00 1.10 H new ATOM 0 HG2 PRO A 18 -6.962 -7.859 -6.160 1.00 31.54 H new ATOM 0 HG3 PRO A 18 -5.956 -8.466 -7.461 1.00 31.54 H new ATOM 0 HD2 PRO A 18 -5.062 -6.712 -5.488 1.00 34.01 H new ATOM 0 HD3 PRO A 18 -4.285 -6.909 -7.047 1.00 34.01 H new ATOM 313 N PRO A 19 -9.353 -4.665 -6.908 1.00 41.41 N ATOM 314 CA PRO A 19 -10.465 -4.360 -5.985 1.00 33.32 C ATOM 315 C PRO A 19 -10.815 -5.531 -5.049 1.00 4.30 C ATOM 316 O PRO A 19 -10.834 -6.691 -5.465 1.00 52.41 O ATOM 317 CB PRO A 19 -11.646 -4.058 -6.925 1.00 14.55 C ATOM 318 CG PRO A 19 -11.018 -3.714 -8.236 1.00 41.54 C ATOM 319 CD PRO A 19 -9.766 -4.547 -8.319 1.00 53.32 C ATOM 0 HA PRO A 19 -10.207 -3.539 -5.316 1.00 33.32 H new ATOM 0 HB2 PRO A 19 -12.307 -4.920 -7.018 1.00 14.55 H new ATOM 0 HB3 PRO A 19 -12.250 -3.233 -6.548 1.00 14.55 H new ATOM 0 HG2 PRO A 19 -11.692 -3.936 -9.063 1.00 41.54 H new ATOM 0 HG3 PRO A 19 -10.785 -2.651 -8.292 1.00 41.54 H new ATOM 0 HD2 PRO A 19 -9.959 -5.522 -8.766 1.00 53.32 H new ATOM 0 HD3 PRO A 19 -8.999 -4.064 -8.925 1.00 53.32 H new ATOM 327 N GLY A 20 -11.091 -5.220 -3.784 1.00 24.43 N ATOM 328 CA GLY A 20 -11.500 -6.247 -2.833 1.00 32.32 C ATOM 329 C GLY A 20 -11.725 -5.702 -1.428 1.00 20.41 C ATOM 330 O GLY A 20 -12.782 -5.146 -1.131 1.00 53.34 O ATOM 0 H GLY A 20 -11.039 -4.277 -3.399 1.00 24.43 H new ATOM 0 HA2 GLY A 20 -12.418 -6.716 -3.186 1.00 32.32 H new ATOM 0 HA3 GLY A 20 -10.738 -7.025 -2.797 1.00 32.32 H new ATOM 334 N LEU A 21 -10.732 -5.871 -0.565 1.00 54.04 N ATOM 335 CA LEU A 21 -10.821 -5.412 0.827 1.00 53.14 C ATOM 336 C LEU A 21 -10.867 -3.873 0.949 1.00 2.22 C ATOM 337 O LEU A 21 -10.697 -3.141 -0.031 1.00 43.54 O ATOM 338 CB LEU A 21 -9.648 -5.971 1.657 1.00 34.21 C ATOM 339 CG LEU A 21 -8.247 -5.384 1.378 1.00 1.44 C ATOM 340 CD1 LEU A 21 -7.202 -6.066 2.260 1.00 43.35 C ATOM 341 CD2 LEU A 21 -7.856 -5.503 -0.094 1.00 70.52 C ATOM 0 H LEU A 21 -9.849 -6.324 -0.800 1.00 54.04 H new ATOM 0 HA LEU A 21 -11.763 -5.794 1.220 1.00 53.14 H new ATOM 0 HB2 LEU A 21 -9.876 -5.816 2.712 1.00 34.21 H new ATOM 0 HB3 LEU A 21 -9.602 -7.048 1.495 1.00 34.21 H new ATOM 0 HG LEU A 21 -8.285 -4.322 1.620 1.00 1.44 H new ATOM 0 HD11 LEU A 21 -6.219 -5.643 2.053 1.00 43.35 H new ATOM 0 HD12 LEU A 21 -7.452 -5.907 3.309 1.00 43.35 H new ATOM 0 HD13 LEU A 21 -7.189 -7.135 2.048 1.00 43.35 H new ATOM 0 HD21 LEU A 21 -6.864 -5.077 -0.242 1.00 70.52 H new ATOM 0 HD22 LEU A 21 -7.847 -6.554 -0.384 1.00 70.52 H new ATOM 0 HD23 LEU A 21 -8.578 -4.963 -0.707 1.00 70.52 H new ATOM 353 N THR A 22 -11.098 -3.392 2.171 1.00 61.34 N ATOM 354 CA THR A 22 -11.173 -1.950 2.453 1.00 32.23 C ATOM 355 C THR A 22 -9.880 -1.451 3.115 1.00 24.11 C ATOM 356 O THR A 22 -9.233 -2.198 3.855 1.00 35.24 O ATOM 357 CB THR A 22 -12.383 -1.629 3.374 1.00 30.04 C ATOM 358 OG1 THR A 22 -13.606 -1.994 2.717 1.00 74.21 O ATOM 359 CG2 THR A 22 -12.436 -0.152 3.755 1.00 40.44 C ATOM 0 H THR A 22 -11.238 -3.982 2.991 1.00 61.34 H new ATOM 0 HA THR A 22 -11.304 -1.436 1.501 1.00 32.23 H new ATOM 0 HB THR A 22 -12.259 -2.208 4.289 1.00 30.04 H new ATOM 0 HG1 THR A 22 -14.365 -1.791 3.303 1.00 74.21 H new ATOM 0 HG21 THR A 22 -13.297 0.027 4.399 1.00 40.44 H new ATOM 0 HG22 THR A 22 -11.523 0.120 4.286 1.00 40.44 H new ATOM 0 HG23 THR A 22 -12.525 0.453 2.853 1.00 40.44 H new ATOM 367 N LYS A 23 -9.514 -0.187 2.852 1.00 62.41 N ATOM 368 CA LYS A 23 -8.284 0.426 3.397 1.00 42.12 C ATOM 369 C LYS A 23 -8.021 0.042 4.869 1.00 35.44 C ATOM 370 O LYS A 23 -6.879 -0.195 5.254 1.00 12.31 O ATOM 371 CB LYS A 23 -8.337 1.955 3.257 1.00 10.31 C ATOM 372 CG LYS A 23 -9.498 2.615 3.992 1.00 63.03 C ATOM 373 CD LYS A 23 -9.450 4.137 3.872 1.00 44.00 C ATOM 374 CE LYS A 23 -8.166 4.707 4.467 1.00 61.25 C ATOM 375 NZ LYS A 23 -8.102 6.186 4.342 1.00 31.42 N ATOM 0 H LYS A 23 -10.057 0.440 2.258 1.00 62.41 H new ATOM 0 HA LYS A 23 -7.455 0.031 2.809 1.00 42.12 H new ATOM 0 HB2 LYS A 23 -7.402 2.374 3.629 1.00 10.31 H new ATOM 0 HB3 LYS A 23 -8.402 2.209 2.199 1.00 10.31 H new ATOM 0 HG2 LYS A 23 -10.441 2.248 3.587 1.00 63.03 H new ATOM 0 HG3 LYS A 23 -9.471 2.332 5.044 1.00 63.03 H new ATOM 0 HD2 LYS A 23 -9.523 4.422 2.823 1.00 44.00 H new ATOM 0 HD3 LYS A 23 -10.311 4.570 4.381 1.00 44.00 H new ATOM 0 HE2 LYS A 23 -8.100 4.429 5.519 1.00 61.25 H new ATOM 0 HE3 LYS A 23 -7.306 4.263 3.965 1.00 61.25 H new ATOM 0 HZ1 LYS A 23 -7.214 6.532 4.759 1.00 31.42 H new ATOM 0 HZ2 LYS A 23 -8.139 6.451 3.337 1.00 31.42 H new ATOM 0 HZ3 LYS A 23 -8.908 6.612 4.843 1.00 31.42 H new ATOM 389 N GLU A 24 -9.085 -0.051 5.667 1.00 65.53 N ATOM 390 CA GLU A 24 -8.982 -0.443 7.084 1.00 21.32 C ATOM 391 C GLU A 24 -8.131 -1.716 7.262 1.00 44.30 C ATOM 392 O GLU A 24 -7.089 -1.702 7.919 1.00 13.32 O ATOM 393 CB GLU A 24 -10.388 -0.685 7.652 1.00 52.03 C ATOM 394 CG GLU A 24 -11.341 0.487 7.449 1.00 73.20 C ATOM 395 CD GLU A 24 -12.713 0.243 8.053 1.00 41.24 C ATOM 396 OE1 GLU A 24 -13.542 -0.439 7.410 1.00 22.05 O ATOM 397 OE2 GLU A 24 -12.967 0.731 9.174 1.00 64.23 O ATOM 0 H GLU A 24 -10.038 0.140 5.358 1.00 65.53 H new ATOM 0 HA GLU A 24 -8.492 0.368 7.622 1.00 21.32 H new ATOM 0 HB2 GLU A 24 -10.812 -1.572 7.182 1.00 52.03 H new ATOM 0 HB3 GLU A 24 -10.308 -0.896 8.718 1.00 52.03 H new ATOM 0 HG2 GLU A 24 -10.908 1.383 7.894 1.00 73.20 H new ATOM 0 HG3 GLU A 24 -11.448 0.681 6.382 1.00 73.20 H new ATOM 404 N GLN A 25 -8.587 -2.806 6.653 1.00 51.41 N ATOM 405 CA GLN A 25 -7.897 -4.103 6.725 1.00 24.12 C ATOM 406 C GLN A 25 -6.828 -4.247 5.628 1.00 14.54 C ATOM 407 O GLN A 25 -6.187 -5.290 5.497 1.00 42.12 O ATOM 408 CB GLN A 25 -8.930 -5.234 6.606 1.00 71.12 C ATOM 409 CG GLN A 25 -9.912 -5.044 5.450 1.00 32.41 C ATOM 410 CD GLN A 25 -10.945 -6.155 5.355 1.00 42.40 C ATOM 411 OE1 GLN A 25 -12.004 -6.083 5.968 1.00 65.10 O ATOM 412 NE2 GLN A 25 -10.655 -7.176 4.579 1.00 21.11 N ATOM 0 H GLN A 25 -9.441 -2.822 6.096 1.00 51.41 H new ATOM 0 HA GLN A 25 -7.386 -4.163 7.686 1.00 24.12 H new ATOM 0 HB2 GLN A 25 -8.407 -6.181 6.476 1.00 71.12 H new ATOM 0 HB3 GLN A 25 -9.489 -5.305 7.539 1.00 71.12 H new ATOM 0 HG2 GLN A 25 -10.424 -4.089 5.570 1.00 32.41 H new ATOM 0 HG3 GLN A 25 -9.356 -4.992 4.514 1.00 32.41 H new ATOM 0 HE21 GLN A 25 -9.764 -7.203 4.084 1.00 21.11 H new ATOM 0 HE22 GLN A 25 -11.321 -7.941 4.472 1.00 21.11 H new ATOM 421 N LEU A 26 -6.645 -3.191 4.847 1.00 50.54 N ATOM 422 CA LEU A 26 -5.695 -3.191 3.730 1.00 42.21 C ATOM 423 C LEU A 26 -4.349 -2.550 4.116 1.00 61.11 C ATOM 424 O LEU A 26 -3.290 -3.149 3.925 1.00 41.20 O ATOM 425 CB LEU A 26 -6.318 -2.456 2.533 1.00 1.12 C ATOM 426 CG LEU A 26 -5.365 -2.118 1.373 1.00 41.20 C ATOM 427 CD1 LEU A 26 -4.834 -3.389 0.709 1.00 52.44 C ATOM 428 CD2 LEU A 26 -6.063 -1.219 0.354 1.00 23.31 C ATOM 0 H LEU A 26 -7.146 -2.311 4.965 1.00 50.54 H new ATOM 0 HA LEU A 26 -5.487 -4.226 3.460 1.00 42.21 H new ATOM 0 HB2 LEU A 26 -7.131 -3.067 2.141 1.00 1.12 H new ATOM 0 HB3 LEU A 26 -6.761 -1.528 2.894 1.00 1.12 H new ATOM 0 HG LEU A 26 -4.511 -1.576 1.780 1.00 41.20 H new ATOM 0 HD11 LEU A 26 -4.163 -3.120 -0.107 1.00 52.44 H new ATOM 0 HD12 LEU A 26 -4.291 -3.984 1.444 1.00 52.44 H new ATOM 0 HD13 LEU A 26 -5.668 -3.970 0.316 1.00 52.44 H new ATOM 0 HD21 LEU A 26 -5.375 -0.989 -0.460 1.00 23.31 H new ATOM 0 HD22 LEU A 26 -6.938 -1.732 -0.044 1.00 23.31 H new ATOM 0 HD23 LEU A 26 -6.374 -0.293 0.838 1.00 23.31 H new ATOM 440 N GLU A 27 -4.393 -1.343 4.670 1.00 50.10 N ATOM 441 CA GLU A 27 -3.171 -0.591 4.968 1.00 44.42 C ATOM 442 C GLU A 27 -2.362 -1.212 6.115 1.00 42.22 C ATOM 443 O GLU A 27 -1.156 -0.987 6.215 1.00 50.25 O ATOM 444 CB GLU A 27 -3.511 0.868 5.292 1.00 3.02 C ATOM 445 CG GLU A 27 -4.335 1.066 6.556 1.00 34.21 C ATOM 446 CD GLU A 27 -4.806 2.504 6.711 1.00 72.34 C ATOM 447 OE1 GLU A 27 -4.047 3.329 7.269 1.00 71.34 O ATOM 448 OE2 GLU A 27 -5.926 2.824 6.260 1.00 41.44 O ATOM 0 H GLU A 27 -5.257 -0.863 4.922 1.00 50.10 H new ATOM 0 HA GLU A 27 -2.546 -0.631 4.076 1.00 44.42 H new ATOM 0 HB2 GLU A 27 -2.582 1.430 5.389 1.00 3.02 H new ATOM 0 HB3 GLU A 27 -4.055 1.295 4.450 1.00 3.02 H new ATOM 0 HG2 GLU A 27 -5.199 0.402 6.533 1.00 34.21 H new ATOM 0 HG3 GLU A 27 -3.740 0.784 7.424 1.00 34.21 H new ATOM 455 N GLU A 28 -3.013 -2.005 6.961 1.00 41.43 N ATOM 456 CA GLU A 28 -2.341 -2.617 8.117 1.00 63.41 C ATOM 457 C GLU A 28 -1.083 -3.415 7.708 1.00 15.45 C ATOM 458 O GLU A 28 -0.090 -3.430 8.437 1.00 30.12 O ATOM 459 CB GLU A 28 -3.314 -3.510 8.903 1.00 3.02 C ATOM 460 CG GLU A 28 -3.950 -4.623 8.081 1.00 60.54 C ATOM 461 CD GLU A 28 -4.761 -5.583 8.936 1.00 22.45 C ATOM 462 OE1 GLU A 28 -5.860 -5.206 9.388 1.00 63.13 O ATOM 463 OE2 GLU A 28 -4.292 -6.717 9.177 1.00 20.02 O ATOM 0 H GLU A 28 -4.001 -2.242 6.874 1.00 41.43 H new ATOM 0 HA GLU A 28 -2.011 -1.802 8.762 1.00 63.41 H new ATOM 0 HB2 GLU A 28 -2.781 -3.955 9.744 1.00 3.02 H new ATOM 0 HB3 GLU A 28 -4.104 -2.886 9.320 1.00 3.02 H new ATOM 0 HG2 GLU A 28 -4.595 -4.185 7.319 1.00 60.54 H new ATOM 0 HG3 GLU A 28 -3.170 -5.176 7.558 1.00 60.54 H new ATOM 470 N GLN A 29 -1.122 -4.072 6.545 1.00 45.42 N ATOM 471 CA GLN A 29 0.063 -4.772 6.018 1.00 1.12 C ATOM 472 C GLN A 29 0.837 -3.912 5.001 1.00 32.33 C ATOM 473 O GLN A 29 1.965 -4.235 4.640 1.00 12.24 O ATOM 474 CB GLN A 29 -0.307 -6.121 5.377 1.00 30.32 C ATOM 475 CG GLN A 29 -1.369 -6.053 4.278 1.00 53.42 C ATOM 476 CD GLN A 29 -2.783 -6.237 4.807 1.00 53.23 C ATOM 477 OE1 GLN A 29 -2.999 -6.890 5.821 1.00 54.24 O ATOM 478 NE2 GLN A 29 -3.755 -5.681 4.121 1.00 54.21 N ATOM 0 H GLN A 29 -1.950 -4.136 5.953 1.00 45.42 H new ATOM 0 HA GLN A 29 0.709 -4.959 6.876 1.00 1.12 H new ATOM 0 HB2 GLN A 29 0.596 -6.566 4.960 1.00 30.32 H new ATOM 0 HB3 GLN A 29 -0.660 -6.792 6.160 1.00 30.32 H new ATOM 0 HG2 GLN A 29 -1.299 -5.090 3.771 1.00 53.42 H new ATOM 0 HG3 GLN A 29 -1.163 -6.821 3.533 1.00 53.42 H new ATOM 0 HE21 GLN A 29 -3.543 -5.143 3.281 1.00 54.21 H new ATOM 0 HE22 GLN A 29 -4.722 -5.787 4.429 1.00 54.21 H new ATOM 487 N LEU A 30 0.227 -2.820 4.539 1.00 75.40 N ATOM 488 CA LEU A 30 0.888 -1.916 3.587 1.00 30.54 C ATOM 489 C LEU A 30 1.813 -0.924 4.309 1.00 2.05 C ATOM 490 O LEU A 30 2.747 -0.390 3.717 1.00 33.53 O ATOM 491 CB LEU A 30 -0.146 -1.160 2.740 1.00 53.03 C ATOM 492 CG LEU A 30 -1.134 -2.044 1.955 1.00 3.14 C ATOM 493 CD1 LEU A 30 -1.870 -1.225 0.898 1.00 35.10 C ATOM 494 CD2 LEU A 30 -0.422 -3.236 1.325 1.00 1.42 C ATOM 0 H LEU A 30 -0.717 -2.538 4.804 1.00 75.40 H new ATOM 0 HA LEU A 30 1.499 -2.529 2.924 1.00 30.54 H new ATOM 0 HB2 LEU A 30 -0.716 -0.502 3.396 1.00 53.03 H new ATOM 0 HB3 LEU A 30 0.385 -0.523 2.033 1.00 53.03 H new ATOM 0 HG LEU A 30 -1.872 -2.431 2.658 1.00 3.14 H new ATOM 0 HD11 LEU A 30 -2.562 -1.869 0.356 1.00 35.10 H new ATOM 0 HD12 LEU A 30 -2.425 -0.421 1.382 1.00 35.10 H new ATOM 0 HD13 LEU A 30 -1.149 -0.799 0.201 1.00 35.10 H new ATOM 0 HD21 LEU A 30 -1.143 -3.843 0.777 1.00 1.42 H new ATOM 0 HD22 LEU A 30 0.347 -2.880 0.640 1.00 1.42 H new ATOM 0 HD23 LEU A 30 0.040 -3.839 2.107 1.00 1.42 H new ATOM 506 N ARG A 31 1.558 -0.687 5.596 1.00 52.31 N ATOM 507 CA ARG A 31 2.448 0.154 6.410 1.00 10.44 C ATOM 508 C ARG A 31 2.934 -0.571 7.684 1.00 42.53 C ATOM 509 O ARG A 31 2.595 -0.181 8.802 1.00 14.23 O ATOM 510 CB ARG A 31 1.772 1.494 6.776 1.00 35.14 C ATOM 511 CG ARG A 31 0.343 1.367 7.313 1.00 4.10 C ATOM 512 CD ARG A 31 -0.102 2.641 8.028 1.00 13.42 C ATOM 513 NE ARG A 31 -1.528 2.632 8.360 1.00 32.44 N ATOM 514 CZ ARG A 31 -2.037 2.135 9.457 1.00 12.52 C ATOM 515 NH1 ARG A 31 -1.296 1.508 10.319 1.00 32.13 N ATOM 516 NH2 ARG A 31 -3.307 2.250 9.670 1.00 60.13 N ATOM 0 H ARG A 31 0.752 -1.060 6.097 1.00 52.31 H new ATOM 0 HA ARG A 31 3.325 0.364 5.798 1.00 10.44 H new ATOM 0 HB2 ARG A 31 2.382 2.000 7.524 1.00 35.14 H new ATOM 0 HB3 ARG A 31 1.758 2.131 5.892 1.00 35.14 H new ATOM 0 HG2 ARG A 31 -0.339 1.154 6.490 1.00 4.10 H new ATOM 0 HG3 ARG A 31 0.285 0.523 8.001 1.00 4.10 H new ATOM 0 HD2 ARG A 31 0.479 2.762 8.942 1.00 13.42 H new ATOM 0 HD3 ARG A 31 0.115 3.502 7.396 1.00 13.42 H new ATOM 0 HE ARG A 31 -2.172 3.044 7.685 1.00 32.44 H new ATOM 0 HH11 ARG A 31 -0.297 1.396 10.147 1.00 32.13 H new ATOM 0 HH12 ARG A 31 -1.713 1.128 11.169 1.00 32.13 H new ATOM 0 HH21 ARG A 31 -3.898 2.724 8.987 1.00 60.13 H new ATOM 0 HH22 ARG A 31 -3.718 1.867 10.521 1.00 60.13 H new ATOM 530 N PRO A 32 3.741 -1.645 7.533 1.00 72.54 N ATOM 531 CA PRO A 32 4.370 -2.330 8.669 1.00 74.32 C ATOM 532 C PRO A 32 5.746 -1.731 9.026 1.00 14.42 C ATOM 533 O PRO A 32 6.543 -2.345 9.733 1.00 22.54 O ATOM 534 CB PRO A 32 4.517 -3.754 8.133 1.00 0.44 C ATOM 535 CG PRO A 32 4.804 -3.570 6.678 1.00 2.25 C ATOM 536 CD PRO A 32 4.090 -2.304 6.253 1.00 11.42 C ATOM 0 HA PRO A 32 3.793 -2.251 9.590 1.00 74.32 H new ATOM 0 HB2 PRO A 32 5.325 -4.287 8.634 1.00 0.44 H new ATOM 0 HB3 PRO A 32 3.608 -4.334 8.289 1.00 0.44 H new ATOM 0 HG2 PRO A 32 5.877 -3.488 6.502 1.00 2.25 H new ATOM 0 HG3 PRO A 32 4.451 -4.426 6.102 1.00 2.25 H new ATOM 0 HD2 PRO A 32 4.731 -1.671 5.639 1.00 11.42 H new ATOM 0 HD3 PRO A 32 3.201 -2.526 5.662 1.00 11.42 H new ATOM 544 N LEU A 33 6.007 -0.525 8.515 1.00 61.41 N ATOM 545 CA LEU A 33 7.278 0.179 8.743 1.00 41.22 C ATOM 546 C LEU A 33 7.447 0.569 10.226 1.00 0.35 C ATOM 547 O LEU A 33 6.459 0.799 10.926 1.00 52.23 O ATOM 548 CB LEU A 33 7.357 1.439 7.851 1.00 22.32 C ATOM 549 CG LEU A 33 7.524 1.189 6.335 1.00 74.33 C ATOM 550 CD1 LEU A 33 6.335 0.432 5.751 1.00 53.23 C ATOM 551 CD2 LEU A 33 7.722 2.510 5.596 1.00 64.21 C ATOM 0 H LEU A 33 5.348 -0.008 7.933 1.00 61.41 H new ATOM 0 HA LEU A 33 8.089 -0.500 8.479 1.00 41.22 H new ATOM 0 HB2 LEU A 33 6.451 2.025 8.004 1.00 22.32 H new ATOM 0 HB3 LEU A 33 8.193 2.049 8.192 1.00 22.32 H new ATOM 0 HG LEU A 33 8.410 0.568 6.202 1.00 74.33 H new ATOM 0 HD11 LEU A 33 6.491 0.276 4.684 1.00 53.23 H new ATOM 0 HD12 LEU A 33 6.239 -0.533 6.248 1.00 53.23 H new ATOM 0 HD13 LEU A 33 5.424 1.011 5.904 1.00 53.23 H new ATOM 0 HD21 LEU A 33 7.838 2.316 4.530 1.00 64.21 H new ATOM 0 HD22 LEU A 33 6.854 3.150 5.756 1.00 64.21 H new ATOM 0 HD23 LEU A 33 8.615 3.008 5.974 1.00 64.21 H new ATOM 563 N PRO A 34 8.706 0.653 10.724 1.00 43.33 N ATOM 564 CA PRO A 34 8.982 0.997 12.133 1.00 24.21 C ATOM 565 C PRO A 34 8.332 2.327 12.559 1.00 21.24 C ATOM 566 O PRO A 34 7.480 2.354 13.448 1.00 20.24 O ATOM 567 CB PRO A 34 10.523 1.081 12.196 1.00 62.10 C ATOM 568 CG PRO A 34 10.975 1.163 10.772 1.00 22.45 C ATOM 569 CD PRO A 34 9.948 0.413 9.971 1.00 32.31 C ATOM 0 HA PRO A 34 8.564 0.260 12.819 1.00 24.21 H new ATOM 0 HB2 PRO A 34 10.846 1.955 12.762 1.00 62.10 H new ATOM 0 HB3 PRO A 34 10.944 0.207 12.692 1.00 62.10 H new ATOM 0 HG2 PRO A 34 11.046 2.200 10.444 1.00 22.45 H new ATOM 0 HG3 PRO A 34 11.964 0.722 10.650 1.00 22.45 H new ATOM 0 HD2 PRO A 34 9.880 0.787 8.949 1.00 32.31 H new ATOM 0 HD3 PRO A 34 10.183 -0.649 9.906 1.00 32.31 H new ATOM 577 N ALA A 35 8.740 3.427 11.928 1.00 4.22 N ATOM 578 CA ALA A 35 8.125 4.737 12.177 1.00 23.43 C ATOM 579 C ALA A 35 8.238 5.651 10.948 1.00 34.52 C ATOM 580 O ALA A 35 9.027 6.595 10.926 1.00 5.23 O ATOM 581 CB ALA A 35 8.747 5.400 13.405 1.00 72.10 C ATOM 0 H ALA A 35 9.493 3.441 11.240 1.00 4.22 H new ATOM 0 HA ALA A 35 7.065 4.576 12.373 1.00 23.43 H new ATOM 0 HB1 ALA A 35 8.277 6.369 13.572 1.00 72.10 H new ATOM 0 HB2 ALA A 35 8.592 4.766 14.278 1.00 72.10 H new ATOM 0 HB3 ALA A 35 9.816 5.538 13.242 1.00 72.10 H new ATOM 587 N HIS A 36 7.463 5.341 9.906 1.00 35.43 N ATOM 588 CA HIS A 36 7.458 6.133 8.666 1.00 72.33 C ATOM 589 C HIS A 36 6.017 6.393 8.192 1.00 22.31 C ATOM 590 O HIS A 36 5.108 5.613 8.479 1.00 62.01 O ATOM 591 CB HIS A 36 8.267 5.423 7.564 1.00 44.40 C ATOM 592 CG HIS A 36 9.715 5.201 7.917 1.00 11.32 C ATOM 593 ND1 HIS A 36 10.393 4.031 7.645 1.00 21.02 N ATOM 594 CD2 HIS A 36 10.615 6.011 8.530 1.00 74.53 C ATOM 595 CE1 HIS A 36 11.633 4.131 8.078 1.00 70.01 C ATOM 596 NE2 HIS A 36 11.797 5.318 8.616 1.00 54.44 N ATOM 0 H HIS A 36 6.827 4.544 9.893 1.00 35.43 H new ATOM 0 HA HIS A 36 7.930 7.093 8.875 1.00 72.33 H new ATOM 0 HB2 HIS A 36 7.804 4.460 7.350 1.00 44.40 H new ATOM 0 HB3 HIS A 36 8.212 6.013 6.649 1.00 44.40 H new ATOM 0 HD2 HIS A 36 10.435 7.015 8.885 1.00 74.53 H new ATOM 0 HE1 HIS A 36 12.390 3.364 8.003 1.00 70.01 H new ATOM 0 HE2 HIS A 36 12.661 5.668 9.030 1.00 54.44 H new ATOM 605 N ASP A 37 5.819 7.490 7.462 1.00 70.25 N ATOM 606 CA ASP A 37 4.479 7.916 7.039 1.00 44.33 C ATOM 607 C ASP A 37 3.921 7.065 5.880 1.00 55.02 C ATOM 608 O ASP A 37 4.662 6.398 5.153 1.00 22.21 O ATOM 609 CB ASP A 37 4.514 9.399 6.640 1.00 64.25 C ATOM 610 CG ASP A 37 3.143 9.935 6.255 1.00 31.02 C ATOM 611 OD1 ASP A 37 2.208 9.823 7.077 1.00 34.44 O ATOM 612 OD2 ASP A 37 2.994 10.469 5.135 1.00 55.31 O ATOM 0 H ASP A 37 6.571 8.104 7.149 1.00 70.25 H new ATOM 0 HA ASP A 37 3.808 7.771 7.885 1.00 44.33 H new ATOM 0 HB2 ASP A 37 4.909 9.985 7.470 1.00 64.25 H new ATOM 0 HB3 ASP A 37 5.199 9.530 5.802 1.00 64.25 H new ATOM 617 N TYR A 38 2.599 7.100 5.726 1.00 15.45 N ATOM 618 CA TYR A 38 1.906 6.400 4.636 1.00 1.20 C ATOM 619 C TYR A 38 1.228 7.411 3.698 1.00 31.11 C ATOM 620 O TYR A 38 0.900 8.524 4.110 1.00 4.23 O ATOM 621 CB TYR A 38 0.863 5.423 5.205 1.00 1.20 C ATOM 622 CG TYR A 38 -0.213 6.093 6.047 1.00 3.03 C ATOM 623 CD1 TYR A 38 -0.034 6.289 7.412 1.00 21.43 C ATOM 624 CD2 TYR A 38 -1.403 6.535 5.475 1.00 33.43 C ATOM 625 CE1 TYR A 38 -1.008 6.901 8.180 1.00 20.15 C ATOM 626 CE2 TYR A 38 -2.382 7.145 6.235 1.00 13.51 C ATOM 627 CZ TYR A 38 -2.180 7.326 7.587 1.00 55.33 C ATOM 628 OH TYR A 38 -3.154 7.936 8.351 1.00 73.31 O ATOM 0 H TYR A 38 1.975 7.612 6.350 1.00 15.45 H new ATOM 0 HA TYR A 38 2.642 5.833 4.066 1.00 1.20 H new ATOM 0 HB2 TYR A 38 0.387 4.893 4.380 1.00 1.20 H new ATOM 0 HB3 TYR A 38 1.373 4.675 5.812 1.00 1.20 H new ATOM 0 HD1 TYR A 38 0.881 5.958 7.880 1.00 21.43 H new ATOM 0 HD2 TYR A 38 -1.564 6.398 4.416 1.00 33.43 H new ATOM 0 HE1 TYR A 38 -0.852 7.046 9.239 1.00 20.15 H new ATOM 0 HE2 TYR A 38 -3.300 7.478 5.773 1.00 13.51 H new ATOM 0 HH TYR A 38 -3.915 8.175 7.781 1.00 73.31 H new ATOM 638 N PHE A 39 1.012 7.036 2.439 1.00 3.40 N ATOM 639 CA PHE A 39 0.416 7.962 1.468 1.00 55.52 C ATOM 640 C PHE A 39 -1.126 7.910 1.526 1.00 10.12 C ATOM 641 O PHE A 39 -1.745 8.704 2.231 1.00 73.23 O ATOM 642 CB PHE A 39 0.941 7.659 0.057 1.00 24.01 C ATOM 643 CG PHE A 39 0.734 8.777 -0.929 1.00 50.43 C ATOM 644 CD1 PHE A 39 1.603 9.857 -0.963 1.00 41.12 C ATOM 645 CD2 PHE A 39 -0.325 8.749 -1.822 1.00 14.51 C ATOM 646 CE1 PHE A 39 1.419 10.885 -1.868 1.00 20.11 C ATOM 647 CE2 PHE A 39 -0.514 9.773 -2.728 1.00 62.10 C ATOM 648 CZ PHE A 39 0.359 10.843 -2.752 1.00 32.24 C ATOM 0 H PHE A 39 1.235 6.113 2.067 1.00 3.40 H new ATOM 0 HA PHE A 39 0.712 8.978 1.727 1.00 55.52 H new ATOM 0 HB2 PHE A 39 2.006 7.435 0.118 1.00 24.01 H new ATOM 0 HB3 PHE A 39 0.447 6.762 -0.318 1.00 24.01 H new ATOM 0 HD1 PHE A 39 2.434 9.895 -0.274 1.00 41.12 H new ATOM 0 HD2 PHE A 39 -1.011 7.915 -1.809 1.00 14.51 H new ATOM 0 HE1 PHE A 39 2.103 11.720 -1.884 1.00 20.11 H new ATOM 0 HE2 PHE A 39 -1.344 9.738 -3.418 1.00 62.10 H new ATOM 0 HZ PHE A 39 0.213 11.645 -3.460 1.00 32.24 H new ATOM 658 N GLU A 40 -1.742 6.969 0.806 1.00 10.34 N ATOM 659 CA GLU A 40 -3.198 6.760 0.896 1.00 14.33 C ATOM 660 C GLU A 40 -3.612 5.434 0.243 1.00 12.43 C ATOM 661 O GLU A 40 -2.851 4.843 -0.529 1.00 64.33 O ATOM 662 CB GLU A 40 -3.974 7.936 0.280 1.00 11.31 C ATOM 663 CG GLU A 40 -3.764 8.129 -1.216 1.00 13.35 C ATOM 664 CD GLU A 40 -4.382 9.422 -1.720 1.00 23.11 C ATOM 665 OE1 GLU A 40 -3.713 10.474 -1.645 1.00 14.03 O ATOM 666 OE2 GLU A 40 -5.548 9.403 -2.169 1.00 30.13 O ATOM 0 H GLU A 40 -1.264 6.342 0.158 1.00 10.34 H new ATOM 0 HA GLU A 40 -3.453 6.709 1.955 1.00 14.33 H new ATOM 0 HB2 GLU A 40 -5.038 7.788 0.467 1.00 11.31 H new ATOM 0 HB3 GLU A 40 -3.684 8.853 0.794 1.00 11.31 H new ATOM 0 HG2 GLU A 40 -2.696 8.130 -1.434 1.00 13.35 H new ATOM 0 HG3 GLU A 40 -4.199 7.287 -1.754 1.00 13.35 H new ATOM 673 N PHE A 41 -4.823 4.969 0.563 1.00 44.00 N ATOM 674 CA PHE A 41 -5.268 3.624 0.168 1.00 4.43 C ATOM 675 C PHE A 41 -6.719 3.631 -0.346 1.00 13.20 C ATOM 676 O PHE A 41 -7.467 4.584 -0.119 1.00 40.21 O ATOM 677 CB PHE A 41 -5.142 2.673 1.370 1.00 14.32 C ATOM 678 CG PHE A 41 -3.821 2.798 2.091 1.00 12.55 C ATOM 679 CD1 PHE A 41 -2.705 2.098 1.658 1.00 31.12 C ATOM 680 CD2 PHE A 41 -3.694 3.634 3.193 1.00 31.43 C ATOM 681 CE1 PHE A 41 -1.491 2.228 2.309 1.00 42.02 C ATOM 682 CE2 PHE A 41 -2.485 3.763 3.846 1.00 3.44 C ATOM 683 CZ PHE A 41 -1.382 3.060 3.403 1.00 35.33 C ATOM 0 H PHE A 41 -5.513 5.501 1.093 1.00 44.00 H new ATOM 0 HA PHE A 41 -4.632 3.281 -0.648 1.00 4.43 H new ATOM 0 HB2 PHE A 41 -5.952 2.875 2.071 1.00 14.32 H new ATOM 0 HB3 PHE A 41 -5.266 1.646 1.027 1.00 14.32 H new ATOM 0 HD1 PHE A 41 -2.784 1.444 0.803 1.00 31.12 H new ATOM 0 HD2 PHE A 41 -4.551 4.190 3.543 1.00 31.43 H new ATOM 0 HE1 PHE A 41 -0.629 1.678 1.960 1.00 42.02 H new ATOM 0 HE2 PHE A 41 -2.401 4.414 4.704 1.00 3.44 H new ATOM 0 HZ PHE A 41 -0.435 3.162 3.913 1.00 35.33 H new ATOM 693 N PHE A 42 -7.116 2.554 -1.020 1.00 22.22 N ATOM 694 CA PHE A 42 -8.462 2.456 -1.605 1.00 72.35 C ATOM 695 C PHE A 42 -9.429 1.662 -0.711 1.00 24.43 C ATOM 696 O PHE A 42 -9.021 0.995 0.240 1.00 53.21 O ATOM 697 CB PHE A 42 -8.395 1.812 -3.000 1.00 13.14 C ATOM 698 CG PHE A 42 -7.903 0.379 -3.012 1.00 2.24 C ATOM 699 CD1 PHE A 42 -6.548 0.096 -3.119 1.00 13.13 C ATOM 700 CD2 PHE A 42 -8.798 -0.683 -2.929 1.00 12.11 C ATOM 701 CE1 PHE A 42 -6.097 -1.210 -3.139 1.00 62.14 C ATOM 702 CE2 PHE A 42 -8.349 -1.990 -2.949 1.00 44.02 C ATOM 703 CZ PHE A 42 -6.997 -2.254 -3.054 1.00 53.45 C ATOM 0 H PHE A 42 -6.529 1.735 -1.177 1.00 22.22 H new ATOM 0 HA PHE A 42 -8.848 3.472 -1.689 1.00 72.35 H new ATOM 0 HB2 PHE A 42 -9.388 1.845 -3.449 1.00 13.14 H new ATOM 0 HB3 PHE A 42 -7.740 2.412 -3.631 1.00 13.14 H new ATOM 0 HD1 PHE A 42 -5.838 0.907 -3.187 1.00 13.13 H new ATOM 0 HD2 PHE A 42 -9.856 -0.484 -2.848 1.00 12.11 H new ATOM 0 HE1 PHE A 42 -5.040 -1.414 -3.221 1.00 62.14 H new ATOM 0 HE2 PHE A 42 -9.055 -2.805 -2.883 1.00 44.02 H new ATOM 0 HZ PHE A 42 -6.645 -3.275 -3.070 1.00 53.45 H new ATOM 713 N ALA A 43 -10.718 1.743 -1.032 1.00 52.43 N ATOM 714 CA ALA A 43 -11.754 0.994 -0.313 1.00 52.53 C ATOM 715 C ALA A 43 -12.763 0.378 -1.294 1.00 45.44 C ATOM 716 O ALA A 43 -13.586 1.082 -1.883 1.00 35.52 O ATOM 717 CB ALA A 43 -12.460 1.900 0.690 1.00 11.31 C ATOM 0 H ALA A 43 -11.075 2.324 -1.791 1.00 52.43 H new ATOM 0 HA ALA A 43 -11.276 0.180 0.232 1.00 52.53 H new ATOM 0 HB1 ALA A 43 -13.227 1.332 1.217 1.00 11.31 H new ATOM 0 HB2 ALA A 43 -11.735 2.283 1.408 1.00 11.31 H new ATOM 0 HB3 ALA A 43 -12.924 2.734 0.163 1.00 11.31 H new ATOM 723 N ALA A 44 -12.698 -0.940 -1.468 1.00 4.32 N ATOM 724 CA ALA A 44 -13.529 -1.625 -2.463 1.00 15.30 C ATOM 725 C ALA A 44 -14.437 -2.697 -1.844 1.00 45.30 C ATOM 726 O ALA A 44 -14.405 -2.945 -0.638 1.00 61.31 O ATOM 727 CB ALA A 44 -12.636 -2.242 -3.538 1.00 64.23 C ATOM 0 H ALA A 44 -12.082 -1.555 -0.937 1.00 4.32 H new ATOM 0 HA ALA A 44 -14.187 -0.878 -2.908 1.00 15.30 H new ATOM 0 HB1 ALA A 44 -13.255 -2.751 -4.277 1.00 64.23 H new ATOM 0 HB2 ALA A 44 -12.059 -1.457 -4.027 1.00 64.23 H new ATOM 0 HB3 ALA A 44 -11.956 -2.959 -3.078 1.00 64.23 H new ATOM 733 N ASP A 45 -15.257 -3.319 -2.690 1.00 53.12 N ATOM 734 CA ASP A 45 -16.135 -4.416 -2.274 1.00 12.35 C ATOM 735 C ASP A 45 -15.512 -5.781 -2.600 1.00 14.33 C ATOM 736 O ASP A 45 -15.237 -6.086 -3.763 1.00 12.21 O ATOM 737 CB ASP A 45 -17.496 -4.302 -2.975 1.00 22.24 C ATOM 738 CG ASP A 45 -18.318 -3.129 -2.476 1.00 45.35 C ATOM 739 OD1 ASP A 45 -19.049 -3.302 -1.479 1.00 32.10 O ATOM 740 OD2 ASP A 45 -18.247 -2.037 -3.083 1.00 73.44 O ATOM 0 H ASP A 45 -15.333 -3.080 -3.679 1.00 53.12 H new ATOM 0 HA ASP A 45 -16.269 -4.341 -1.195 1.00 12.35 H new ATOM 0 HB2 ASP A 45 -17.339 -4.199 -4.049 1.00 22.24 H new ATOM 0 HB3 ASP A 45 -18.057 -5.224 -2.822 1.00 22.24 H new ATOM 745 N LEU A 46 -15.301 -6.601 -1.573 1.00 65.42 N ATOM 746 CA LEU A 46 -14.824 -7.980 -1.760 1.00 51.50 C ATOM 747 C LEU A 46 -15.976 -8.917 -2.182 1.00 64.24 C ATOM 748 O LEU A 46 -16.088 -10.049 -1.712 1.00 74.40 O ATOM 749 CB LEU A 46 -14.131 -8.478 -0.468 1.00 12.31 C ATOM 750 CG LEU A 46 -14.788 -8.076 0.873 1.00 3.53 C ATOM 751 CD1 LEU A 46 -16.163 -8.723 1.051 1.00 65.21 C ATOM 752 CD2 LEU A 46 -13.872 -8.434 2.043 1.00 13.30 C ATOM 0 H LEU A 46 -15.452 -6.339 -0.599 1.00 65.42 H new ATOM 0 HA LEU A 46 -14.093 -7.990 -2.568 1.00 51.50 H new ATOM 0 HB2 LEU A 46 -14.078 -9.566 -0.508 1.00 12.31 H new ATOM 0 HB3 LEU A 46 -13.105 -8.109 -0.468 1.00 12.31 H new ATOM 0 HG LEU A 46 -14.936 -6.996 0.856 1.00 3.53 H new ATOM 0 HD11 LEU A 46 -16.589 -8.415 2.005 1.00 65.21 H new ATOM 0 HD12 LEU A 46 -16.821 -8.408 0.241 1.00 65.21 H new ATOM 0 HD13 LEU A 46 -16.060 -9.808 1.034 1.00 65.21 H new ATOM 0 HD21 LEU A 46 -14.348 -8.145 2.980 1.00 13.30 H new ATOM 0 HD22 LEU A 46 -13.688 -9.508 2.046 1.00 13.30 H new ATOM 0 HD23 LEU A 46 -12.925 -7.904 1.939 1.00 13.30 H new ATOM 866 N TYR A 53 -12.164 1.080 -10.006 1.00 61.42 N ATOM 867 CA TYR A 53 -10.754 0.821 -9.689 1.00 23.52 C ATOM 868 C TYR A 53 -10.066 1.984 -8.955 1.00 51.10 C ATOM 869 O TYR A 53 -10.250 3.157 -9.286 1.00 44.15 O ATOM 870 CB TYR A 53 -9.981 0.490 -10.970 1.00 63.43 C ATOM 871 CG TYR A 53 -10.424 -0.803 -11.628 1.00 5.42 C ATOM 872 CD1 TYR A 53 -9.875 -2.019 -11.240 1.00 63.22 C ATOM 873 CD2 TYR A 53 -11.388 -0.808 -12.633 1.00 52.33 C ATOM 874 CE1 TYR A 53 -10.272 -3.200 -11.832 1.00 14.01 C ATOM 875 CE2 TYR A 53 -11.790 -1.988 -13.228 1.00 52.44 C ATOM 876 CZ TYR A 53 -11.228 -3.179 -12.825 1.00 71.11 C ATOM 877 OH TYR A 53 -11.620 -4.358 -13.421 1.00 21.02 O ATOM 0 HA TYR A 53 -10.744 -0.029 -9.007 1.00 23.52 H new ATOM 0 HB2 TYR A 53 -10.101 1.309 -11.679 1.00 63.43 H new ATOM 0 HB3 TYR A 53 -8.918 0.424 -10.737 1.00 63.43 H new ATOM 0 HD1 TYR A 53 -9.126 -2.040 -10.463 1.00 63.22 H new ATOM 0 HD2 TYR A 53 -11.828 0.125 -12.952 1.00 52.33 H new ATOM 0 HE1 TYR A 53 -9.836 -4.137 -11.519 1.00 14.01 H new ATOM 0 HE2 TYR A 53 -12.540 -1.977 -14.005 1.00 52.44 H new ATOM 0 HH TYR A 53 -12.301 -4.171 -14.100 1.00 21.02 H new ATOM 887 N SER A 54 -9.261 1.626 -7.955 1.00 44.40 N ATOM 888 CA SER A 54 -8.415 2.577 -7.215 1.00 30.24 C ATOM 889 C SER A 54 -7.191 1.842 -6.645 1.00 34.22 C ATOM 890 O SER A 54 -7.284 0.674 -6.274 1.00 11.15 O ATOM 891 CB SER A 54 -9.199 3.247 -6.073 1.00 62.35 C ATOM 892 OG SER A 54 -10.290 4.016 -6.563 1.00 21.13 O ATOM 0 H SER A 54 -9.173 0.663 -7.629 1.00 44.40 H new ATOM 0 HA SER A 54 -8.090 3.355 -7.905 1.00 30.24 H new ATOM 0 HB2 SER A 54 -9.570 2.483 -5.390 1.00 62.35 H new ATOM 0 HB3 SER A 54 -8.530 3.889 -5.500 1.00 62.35 H new ATOM 0 HG SER A 54 -10.326 3.947 -7.540 1.00 21.13 H new ATOM 898 N ARG A 55 -6.047 2.519 -6.579 1.00 41.11 N ATOM 899 CA ARG A 55 -4.788 1.888 -6.142 1.00 44.33 C ATOM 900 C ARG A 55 -4.222 2.547 -4.874 1.00 52.43 C ATOM 901 O ARG A 55 -4.601 3.664 -4.516 1.00 74.30 O ATOM 902 CB ARG A 55 -3.761 1.959 -7.280 1.00 45.42 C ATOM 903 CG ARG A 55 -4.183 1.187 -8.528 1.00 72.24 C ATOM 904 CD ARG A 55 -3.276 1.477 -9.717 1.00 42.02 C ATOM 905 NE ARG A 55 -3.344 2.879 -10.127 1.00 13.20 N ATOM 906 CZ ARG A 55 -3.210 3.296 -11.358 1.00 1.20 C ATOM 907 NH1 ARG A 55 -3.023 2.457 -12.325 1.00 25.42 N ATOM 908 NH2 ARG A 55 -3.286 4.561 -11.621 1.00 22.22 N ATOM 0 H ARG A 55 -5.958 3.506 -6.821 1.00 41.11 H new ATOM 0 HA ARG A 55 -5.000 0.847 -5.897 1.00 44.33 H new ATOM 0 HB2 ARG A 55 -3.597 3.003 -7.546 1.00 45.42 H new ATOM 0 HB3 ARG A 55 -2.808 1.567 -6.924 1.00 45.42 H new ATOM 0 HG2 ARG A 55 -4.169 0.118 -8.314 1.00 72.24 H new ATOM 0 HG3 ARG A 55 -5.210 1.447 -8.784 1.00 72.24 H new ATOM 0 HD2 ARG A 55 -2.248 1.224 -9.459 1.00 42.02 H new ATOM 0 HD3 ARG A 55 -3.561 0.840 -10.554 1.00 42.02 H new ATOM 0 HE ARG A 55 -3.507 3.579 -9.403 1.00 13.20 H new ATOM 0 HH11 ARG A 55 -2.979 1.457 -12.131 1.00 25.42 H new ATOM 0 HH12 ARG A 55 -2.920 2.796 -13.282 1.00 25.42 H new ATOM 0 HH21 ARG A 55 -3.450 5.229 -10.868 1.00 22.22 H new ATOM 0 HH22 ARG A 55 -3.182 4.889 -12.581 1.00 22.22 H new ATOM 922 N ALA A 56 -3.308 1.846 -4.201 1.00 74.24 N ATOM 923 CA ALA A 56 -2.693 2.340 -2.959 1.00 54.13 C ATOM 924 C ALA A 56 -1.247 2.822 -3.186 1.00 44.34 C ATOM 925 O ALA A 56 -0.561 2.362 -4.099 1.00 54.32 O ATOM 926 CB ALA A 56 -2.721 1.243 -1.900 1.00 40.10 C ATOM 0 H ALA A 56 -2.973 0.928 -4.494 1.00 74.24 H new ATOM 0 HA ALA A 56 -3.273 3.197 -2.616 1.00 54.13 H new ATOM 0 HB1 ALA A 56 -2.265 1.612 -0.982 1.00 40.10 H new ATOM 0 HB2 ALA A 56 -3.753 0.955 -1.702 1.00 40.10 H new ATOM 0 HB3 ALA A 56 -2.165 0.377 -2.259 1.00 40.10 H new ATOM 932 N TYR A 57 -0.787 3.748 -2.341 1.00 2.10 N ATOM 933 CA TYR A 57 0.573 4.305 -2.460 1.00 1.50 C ATOM 934 C TYR A 57 1.242 4.432 -1.076 1.00 41.53 C ATOM 935 O TYR A 57 0.560 4.587 -0.059 1.00 60.33 O ATOM 936 CB TYR A 57 0.527 5.683 -3.140 1.00 43.14 C ATOM 937 CG TYR A 57 -0.215 5.701 -4.468 1.00 0.24 C ATOM 938 CD1 TYR A 57 0.442 5.431 -5.662 1.00 24.43 C ATOM 939 CD2 TYR A 57 -1.578 5.985 -4.521 1.00 64.03 C ATOM 940 CE1 TYR A 57 -0.233 5.443 -6.869 1.00 42.14 C ATOM 941 CE2 TYR A 57 -2.259 5.998 -5.725 1.00 34.44 C ATOM 942 CZ TYR A 57 -1.583 5.727 -6.895 1.00 65.10 C ATOM 943 OH TYR A 57 -2.258 5.742 -8.099 1.00 41.11 O ATOM 0 H TYR A 57 -1.331 4.130 -1.567 1.00 2.10 H new ATOM 0 HA TYR A 57 1.163 3.621 -3.070 1.00 1.50 H new ATOM 0 HB2 TYR A 57 0.053 6.394 -2.463 1.00 43.14 H new ATOM 0 HB3 TYR A 57 1.548 6.029 -3.303 1.00 43.14 H new ATOM 0 HD1 TYR A 57 1.499 5.208 -5.647 1.00 24.43 H new ATOM 0 HD2 TYR A 57 -2.112 6.199 -3.607 1.00 64.03 H new ATOM 0 HE1 TYR A 57 0.294 5.231 -7.787 1.00 42.14 H new ATOM 0 HE2 TYR A 57 -3.316 6.220 -5.748 1.00 34.44 H new ATOM 0 HH TYR A 57 -3.201 5.958 -7.943 1.00 41.11 H new ATOM 953 N ILE A 58 2.580 4.385 -1.040 1.00 24.25 N ATOM 954 CA ILE A 58 3.334 4.447 0.230 1.00 23.45 C ATOM 955 C ILE A 58 4.576 5.352 0.096 1.00 25.53 C ATOM 956 O ILE A 58 5.350 5.211 -0.846 1.00 3.54 O ATOM 957 CB ILE A 58 3.807 3.033 0.664 1.00 41.23 C ATOM 958 CG1 ILE A 58 2.629 2.040 0.682 1.00 52.33 C ATOM 959 CG2 ILE A 58 4.481 3.098 2.036 1.00 51.23 C ATOM 960 CD1 ILE A 58 3.047 0.596 0.864 1.00 61.13 C ATOM 0 H ILE A 58 3.166 4.304 -1.871 1.00 24.25 H new ATOM 0 HA ILE A 58 2.659 4.859 0.980 1.00 23.45 H new ATOM 0 HB ILE A 58 4.535 2.676 -0.064 1.00 41.23 H new ATOM 0 HG12 ILE A 58 1.947 2.315 1.487 1.00 52.33 H new ATOM 0 HG13 ILE A 58 2.074 2.133 -0.252 1.00 52.33 H new ATOM 0 HG21 ILE A 58 4.808 2.100 2.328 1.00 51.23 H new ATOM 0 HG22 ILE A 58 5.344 3.762 1.986 1.00 51.23 H new ATOM 0 HG23 ILE A 58 3.772 3.478 2.772 1.00 51.23 H new ATOM 0 HD11 ILE A 58 2.163 -0.041 0.866 1.00 61.13 H new ATOM 0 HD12 ILE A 58 3.704 0.302 0.046 1.00 61.13 H new ATOM 0 HD13 ILE A 58 3.575 0.487 1.811 1.00 61.13 H new ATOM 972 N ASN A 59 4.787 6.274 1.042 1.00 73.24 N ATOM 973 CA ASN A 59 5.961 7.160 0.974 1.00 34.10 C ATOM 974 C ASN A 59 7.068 6.726 1.962 1.00 72.54 C ATOM 975 O ASN A 59 7.028 7.034 3.151 1.00 14.41 O ATOM 976 CB ASN A 59 5.557 8.636 1.184 1.00 22.23 C ATOM 977 CG ASN A 59 4.932 8.926 2.542 1.00 22.24 C ATOM 978 OD1 ASN A 59 5.623 9.253 3.496 1.00 1.12 O ATOM 979 ND2 ASN A 59 3.622 8.840 2.632 1.00 11.15 N ATOM 0 H ASN A 59 4.179 6.427 1.846 1.00 73.24 H new ATOM 0 HA ASN A 59 6.380 7.071 -0.028 1.00 34.10 H new ATOM 0 HB2 ASN A 59 6.440 9.263 1.062 1.00 22.23 H new ATOM 0 HB3 ASN A 59 4.852 8.922 0.404 1.00 22.23 H new ATOM 0 HD21 ASN A 59 3.157 9.049 3.515 1.00 11.15 H new ATOM 0 HD22 ASN A 59 3.072 8.564 1.818 1.00 11.15 H new ATOM 986 N PHE A 60 8.057 5.984 1.457 1.00 23.00 N ATOM 987 CA PHE A 60 9.201 5.562 2.275 1.00 12.22 C ATOM 988 C PHE A 60 10.085 6.760 2.658 1.00 4.01 C ATOM 989 O PHE A 60 10.767 7.346 1.818 1.00 32.11 O ATOM 990 CB PHE A 60 10.022 4.490 1.543 1.00 30.45 C ATOM 991 CG PHE A 60 9.456 3.099 1.676 1.00 4.54 C ATOM 992 CD1 PHE A 60 8.368 2.689 0.918 1.00 11.03 C ATOM 993 CD2 PHE A 60 10.014 2.204 2.575 1.00 14.03 C ATOM 994 CE1 PHE A 60 7.857 1.411 1.053 1.00 0.01 C ATOM 995 CE2 PHE A 60 9.508 0.930 2.714 1.00 33.32 C ATOM 996 CZ PHE A 60 8.427 0.531 1.954 1.00 22.24 C ATOM 0 H PHE A 60 8.090 5.663 0.489 1.00 23.00 H new ATOM 0 HA PHE A 60 8.813 5.129 3.197 1.00 12.22 H new ATOM 0 HB2 PHE A 60 10.082 4.749 0.486 1.00 30.45 H new ATOM 0 HB3 PHE A 60 11.041 4.497 1.931 1.00 30.45 H new ATOM 0 HD1 PHE A 60 7.916 3.374 0.216 1.00 11.03 H new ATOM 0 HD2 PHE A 60 10.858 2.510 3.176 1.00 14.03 H new ATOM 0 HE1 PHE A 60 7.013 1.101 0.455 1.00 0.01 H new ATOM 0 HE2 PHE A 60 9.957 0.244 3.417 1.00 33.32 H new ATOM 0 HZ PHE A 60 8.027 -0.466 2.063 1.00 22.24 H new ATOM 1006 N ARG A 61 10.068 7.107 3.942 1.00 12.41 N ATOM 1007 CA ARG A 61 10.773 8.290 4.449 1.00 2.21 C ATOM 1008 C ARG A 61 12.273 8.024 4.689 1.00 53.41 C ATOM 1009 O ARG A 61 13.004 8.916 5.122 1.00 42.43 O ATOM 1010 CB ARG A 61 10.108 8.752 5.755 1.00 42.22 C ATOM 1011 CG ARG A 61 8.596 8.963 5.645 1.00 3.10 C ATOM 1012 CD ARG A 61 8.237 10.088 4.678 1.00 35.40 C ATOM 1013 NE ARG A 61 8.807 11.366 5.091 1.00 20.10 N ATOM 1014 CZ ARG A 61 8.279 12.527 4.826 1.00 43.22 C ATOM 1015 NH1 ARG A 61 7.155 12.615 4.189 1.00 60.30 N ATOM 1016 NH2 ARG A 61 8.878 13.603 5.224 1.00 61.15 N ATOM 0 H ARG A 61 9.569 6.582 4.660 1.00 12.41 H new ATOM 0 HA ARG A 61 10.705 9.069 3.690 1.00 2.21 H new ATOM 0 HB2 ARG A 61 10.306 8.013 6.532 1.00 42.22 H new ATOM 0 HB3 ARG A 61 10.572 9.685 6.076 1.00 42.22 H new ATOM 0 HG2 ARG A 61 8.125 8.038 5.313 1.00 3.10 H new ATOM 0 HG3 ARG A 61 8.191 9.191 6.631 1.00 3.10 H new ATOM 0 HD2 ARG A 61 8.596 9.837 3.680 1.00 35.40 H new ATOM 0 HD3 ARG A 61 7.153 10.178 4.613 1.00 35.40 H new ATOM 0 HE ARG A 61 9.677 11.349 5.623 1.00 20.10 H new ATOM 0 HH11 ARG A 61 6.672 11.769 3.888 1.00 60.30 H new ATOM 0 HH12 ARG A 61 6.753 13.531 3.988 1.00 60.30 H new ATOM 0 HH21 ARG A 61 9.755 13.537 5.740 1.00 61.15 H new ATOM 0 HH22 ARG A 61 8.473 14.517 5.022 1.00 61.15 H new ATOM 1030 N ASN A 62 12.730 6.805 4.406 1.00 11.13 N ATOM 1031 CA ASN A 62 14.130 6.419 4.642 1.00 73.22 C ATOM 1032 C ASN A 62 14.677 5.598 3.456 1.00 63.35 C ATOM 1033 O ASN A 62 14.104 4.570 3.094 1.00 64.03 O ATOM 1034 CB ASN A 62 14.224 5.610 5.949 1.00 3.13 C ATOM 1035 CG ASN A 62 15.650 5.228 6.322 1.00 32.52 C ATOM 1036 OD1 ASN A 62 16.598 5.935 6.005 1.00 31.01 O ATOM 1037 ND2 ASN A 62 15.815 4.118 7.016 1.00 65.23 N ATOM 0 H ASN A 62 12.153 6.062 4.012 1.00 11.13 H new ATOM 0 HA ASN A 62 14.737 7.320 4.733 1.00 73.22 H new ATOM 0 HB2 ASN A 62 13.788 6.192 6.760 1.00 3.13 H new ATOM 0 HB3 ASN A 62 13.627 4.704 5.850 1.00 3.13 H new ATOM 0 HD21 ASN A 62 16.751 3.830 7.302 1.00 65.23 H new ATOM 0 HD22 ASN A 62 15.007 3.548 7.266 1.00 65.23 H new ATOM 1044 N PRO A 63 15.797 6.032 2.835 1.00 34.20 N ATOM 1045 CA PRO A 63 16.368 5.355 1.650 1.00 45.12 C ATOM 1046 C PRO A 63 16.714 3.876 1.906 1.00 51.45 C ATOM 1047 O PRO A 63 16.408 3.006 1.086 1.00 74.34 O ATOM 1048 CB PRO A 63 17.638 6.171 1.339 1.00 42.31 C ATOM 1049 CG PRO A 63 17.931 6.929 2.591 1.00 13.20 C ATOM 1050 CD PRO A 63 16.597 7.206 3.226 1.00 2.22 C ATOM 0 HA PRO A 63 15.655 5.326 0.826 1.00 45.12 H new ATOM 0 HB2 PRO A 63 18.469 5.519 1.069 1.00 42.31 H new ATOM 0 HB3 PRO A 63 17.477 6.846 0.498 1.00 42.31 H new ATOM 0 HG2 PRO A 63 18.569 6.349 3.259 1.00 13.20 H new ATOM 0 HG3 PRO A 63 18.459 7.857 2.371 1.00 13.20 H new ATOM 0 HD2 PRO A 63 16.676 7.298 4.309 1.00 2.22 H new ATOM 0 HD3 PRO A 63 16.159 8.134 2.858 1.00 2.22 H new ATOM 1058 N ASP A 64 17.346 3.597 3.046 1.00 65.52 N ATOM 1059 CA ASP A 64 17.710 2.224 3.416 1.00 65.32 C ATOM 1060 C ASP A 64 16.459 1.372 3.708 1.00 62.24 C ATOM 1061 O ASP A 64 16.465 0.153 3.528 1.00 24.45 O ATOM 1062 CB ASP A 64 18.627 2.245 4.641 1.00 62.13 C ATOM 1063 CG ASP A 64 19.802 3.191 4.458 1.00 13.33 C ATOM 1064 OD1 ASP A 64 20.751 2.839 3.726 1.00 43.04 O ATOM 1065 OD2 ASP A 64 19.771 4.300 5.031 1.00 51.15 O ATOM 0 H ASP A 64 17.618 4.302 3.731 1.00 65.52 H new ATOM 0 HA ASP A 64 18.235 1.772 2.575 1.00 65.32 H new ATOM 0 HB2 ASP A 64 18.053 2.545 5.518 1.00 62.13 H new ATOM 0 HB3 ASP A 64 18.999 1.238 4.833 1.00 62.13 H new ATOM 1070 N ASP A 65 15.392 2.034 4.149 1.00 1.42 N ATOM 1071 CA ASP A 65 14.124 1.367 4.468 1.00 13.13 C ATOM 1072 C ASP A 65 13.435 0.857 3.186 1.00 71.31 C ATOM 1073 O ASP A 65 12.751 -0.167 3.199 1.00 62.31 O ATOM 1074 CB ASP A 65 13.216 2.353 5.219 1.00 10.54 C ATOM 1075 CG ASP A 65 12.072 1.686 5.963 1.00 30.23 C ATOM 1076 OD1 ASP A 65 12.345 0.833 6.830 1.00 54.51 O ATOM 1077 OD2 ASP A 65 10.904 2.054 5.722 1.00 15.11 O ATOM 0 H ASP A 65 15.378 3.043 4.296 1.00 1.42 H new ATOM 0 HA ASP A 65 14.321 0.502 5.101 1.00 13.13 H new ATOM 0 HB2 ASP A 65 13.819 2.919 5.930 1.00 10.54 H new ATOM 0 HB3 ASP A 65 12.806 3.069 4.507 1.00 10.54 H new ATOM 1082 N ILE A 66 13.643 1.575 2.079 1.00 14.14 N ATOM 1083 CA ILE A 66 13.087 1.191 0.774 1.00 74.22 C ATOM 1084 C ILE A 66 13.514 -0.234 0.380 1.00 64.01 C ATOM 1085 O ILE A 66 12.676 -1.122 0.211 1.00 52.44 O ATOM 1086 CB ILE A 66 13.531 2.178 -0.341 1.00 64.21 C ATOM 1087 CG1 ILE A 66 13.092 3.613 -0.002 1.00 55.25 C ATOM 1088 CG2 ILE A 66 12.974 1.750 -1.701 1.00 43.23 C ATOM 1089 CD1 ILE A 66 13.525 4.645 -1.025 1.00 34.43 C ATOM 0 H ILE A 66 14.196 2.432 2.059 1.00 14.14 H new ATOM 0 HA ILE A 66 12.002 1.225 0.873 1.00 74.22 H new ATOM 0 HB ILE A 66 14.619 2.157 -0.399 1.00 64.21 H new ATOM 0 HG12 ILE A 66 12.006 3.639 0.088 1.00 55.25 H new ATOM 0 HG13 ILE A 66 13.499 3.887 0.971 1.00 55.25 H new ATOM 0 HG21 ILE A 66 13.298 2.456 -2.465 1.00 43.23 H new ATOM 0 HG22 ILE A 66 13.342 0.754 -1.948 1.00 43.23 H new ATOM 0 HG23 ILE A 66 11.885 1.735 -1.660 1.00 43.23 H new ATOM 0 HD11 ILE A 66 13.178 5.631 -0.716 1.00 34.43 H new ATOM 0 HD12 ILE A 66 14.612 4.649 -1.100 1.00 34.43 H new ATOM 0 HD13 ILE A 66 13.096 4.397 -1.996 1.00 34.43 H new ATOM 1101 N LEU A 67 14.824 -0.449 0.247 1.00 70.24 N ATOM 1102 CA LEU A 67 15.352 -1.771 -0.108 1.00 54.22 C ATOM 1103 C LEU A 67 15.137 -2.781 1.032 1.00 22.52 C ATOM 1104 O LEU A 67 15.020 -3.985 0.792 1.00 32.54 O ATOM 1105 CB LEU A 67 16.840 -1.670 -0.510 1.00 24.52 C ATOM 1106 CG LEU A 67 17.783 -0.962 0.488 1.00 12.02 C ATOM 1107 CD1 LEU A 67 18.177 -1.880 1.645 1.00 12.44 C ATOM 1108 CD2 LEU A 67 19.030 -0.443 -0.229 1.00 63.21 C ATOM 0 H LEU A 67 15.536 0.269 0.378 1.00 70.24 H new ATOM 0 HA LEU A 67 14.798 -2.141 -0.971 1.00 54.22 H new ATOM 0 HB2 LEU A 67 17.217 -2.679 -0.676 1.00 24.52 H new ATOM 0 HB3 LEU A 67 16.900 -1.146 -1.464 1.00 24.52 H new ATOM 0 HG LEU A 67 17.239 -0.116 0.909 1.00 12.02 H new ATOM 0 HD11 LEU A 67 18.840 -1.345 2.324 1.00 12.44 H new ATOM 0 HD12 LEU A 67 17.282 -2.192 2.183 1.00 12.44 H new ATOM 0 HD13 LEU A 67 18.690 -2.759 1.254 1.00 12.44 H new ATOM 0 HD21 LEU A 67 19.683 0.053 0.489 1.00 63.21 H new ATOM 0 HD22 LEU A 67 19.561 -1.278 -0.686 1.00 63.21 H new ATOM 0 HD23 LEU A 67 18.736 0.267 -1.002 1.00 63.21 H new ATOM 1120 N LEU A 68 15.060 -2.276 2.266 1.00 52.44 N ATOM 1121 CA LEU A 68 14.784 -3.113 3.440 1.00 22.24 C ATOM 1122 C LEU A 68 13.452 -3.860 3.295 1.00 2.22 C ATOM 1123 O LEU A 68 13.419 -5.093 3.253 1.00 43.01 O ATOM 1124 CB LEU A 68 14.761 -2.247 4.710 1.00 42.54 C ATOM 1125 CG LEU A 68 14.285 -2.953 5.992 1.00 64.43 C ATOM 1126 CD1 LEU A 68 15.197 -4.129 6.338 1.00 73.34 C ATOM 1127 CD2 LEU A 68 14.211 -1.964 7.155 1.00 13.13 C ATOM 0 H LEU A 68 15.185 -1.287 2.480 1.00 52.44 H new ATOM 0 HA LEU A 68 15.580 -3.853 3.518 1.00 22.24 H new ATOM 0 HB2 LEU A 68 15.766 -1.860 4.882 1.00 42.54 H new ATOM 0 HB3 LEU A 68 14.115 -1.388 4.530 1.00 42.54 H new ATOM 0 HG LEU A 68 13.284 -3.345 5.812 1.00 64.43 H new ATOM 0 HD11 LEU A 68 14.839 -4.611 7.248 1.00 73.34 H new ATOM 0 HD12 LEU A 68 15.190 -4.848 5.519 1.00 73.34 H new ATOM 0 HD13 LEU A 68 16.213 -3.768 6.494 1.00 73.34 H new ATOM 0 HD21 LEU A 68 13.873 -2.482 8.052 1.00 13.13 H new ATOM 0 HD22 LEU A 68 15.198 -1.537 7.333 1.00 13.13 H new ATOM 0 HD23 LEU A 68 13.510 -1.166 6.910 1.00 13.13 H new ATOM 1139 N PHE A 69 12.360 -3.108 3.218 1.00 3.10 N ATOM 1140 CA PHE A 69 11.023 -3.694 3.110 1.00 4.10 C ATOM 1141 C PHE A 69 10.740 -4.256 1.706 1.00 62.42 C ATOM 1142 O PHE A 69 9.987 -5.219 1.564 1.00 44.23 O ATOM 1143 CB PHE A 69 9.961 -2.669 3.524 1.00 21.43 C ATOM 1144 CG PHE A 69 9.747 -2.620 5.016 1.00 42.24 C ATOM 1145 CD1 PHE A 69 10.503 -1.777 5.815 1.00 33.24 C ATOM 1146 CD2 PHE A 69 8.802 -3.436 5.619 1.00 13.20 C ATOM 1147 CE1 PHE A 69 10.319 -1.749 7.185 1.00 31.44 C ATOM 1148 CE2 PHE A 69 8.612 -3.411 6.986 1.00 3.42 C ATOM 1149 CZ PHE A 69 9.372 -2.567 7.770 1.00 13.32 C ATOM 0 H PHE A 69 12.371 -2.088 3.228 1.00 3.10 H new ATOM 0 HA PHE A 69 10.979 -4.541 3.795 1.00 4.10 H new ATOM 0 HB2 PHE A 69 10.259 -1.681 3.172 1.00 21.43 H new ATOM 0 HB3 PHE A 69 9.018 -2.911 3.034 1.00 21.43 H new ATOM 0 HD1 PHE A 69 11.244 -1.135 5.362 1.00 33.24 H new ATOM 0 HD2 PHE A 69 8.206 -4.100 5.011 1.00 13.20 H new ATOM 0 HE1 PHE A 69 10.915 -1.088 7.797 1.00 31.44 H new ATOM 0 HE2 PHE A 69 7.870 -4.051 7.441 1.00 3.42 H new ATOM 0 HZ PHE A 69 9.226 -2.546 8.840 1.00 13.32 H new ATOM 1159 N ARG A 70 11.351 -3.673 0.673 1.00 3.01 N ATOM 1160 CA ARG A 70 11.219 -4.206 -0.692 1.00 61.50 C ATOM 1161 C ARG A 70 11.600 -5.692 -0.757 1.00 10.02 C ATOM 1162 O ARG A 70 10.798 -6.527 -1.161 1.00 41.50 O ATOM 1163 CB ARG A 70 12.087 -3.422 -1.693 1.00 15.21 C ATOM 1164 CG ARG A 70 12.357 -4.193 -2.989 1.00 54.22 C ATOM 1165 CD ARG A 70 13.298 -3.453 -3.933 1.00 71.32 C ATOM 1166 NE ARG A 70 14.019 -4.383 -4.808 1.00 13.04 N ATOM 1167 CZ ARG A 70 14.003 -4.354 -6.113 1.00 31.03 C ATOM 1168 NH1 ARG A 70 13.292 -3.487 -6.756 1.00 74.12 N ATOM 1169 NH2 ARG A 70 14.706 -5.208 -6.779 1.00 3.02 N ATOM 0 H ARG A 70 11.936 -2.841 0.749 1.00 3.01 H new ATOM 0 HA ARG A 70 10.170 -4.094 -0.966 1.00 61.50 H new ATOM 0 HB2 ARG A 70 11.593 -2.481 -1.934 1.00 15.21 H new ATOM 0 HB3 ARG A 70 13.037 -3.171 -1.222 1.00 15.21 H new ATOM 0 HG2 ARG A 70 12.785 -5.165 -2.745 1.00 54.22 H new ATOM 0 HG3 ARG A 70 11.412 -4.380 -3.499 1.00 54.22 H new ATOM 0 HD2 ARG A 70 12.728 -2.749 -4.539 1.00 71.32 H new ATOM 0 HD3 ARG A 70 14.012 -2.869 -3.353 1.00 71.32 H new ATOM 0 HE ARG A 70 14.577 -5.110 -4.361 1.00 13.04 H new ATOM 0 HH11 ARG A 70 12.729 -2.808 -6.243 1.00 74.12 H new ATOM 0 HH12 ARG A 70 13.294 -3.482 -7.776 1.00 74.12 H new ATOM 0 HH21 ARG A 70 15.270 -5.900 -6.285 1.00 3.02 H new ATOM 0 HH22 ARG A 70 14.698 -5.191 -7.799 1.00 3.02 H new ATOM 1183 N ASP A 71 12.822 -6.012 -0.335 1.00 33.13 N ATOM 1184 CA ASP A 71 13.379 -7.359 -0.511 1.00 60.21 C ATOM 1185 C ASP A 71 12.609 -8.433 0.294 1.00 10.10 C ATOM 1186 O ASP A 71 12.812 -9.635 0.098 1.00 32.32 O ATOM 1187 CB ASP A 71 14.864 -7.353 -0.125 1.00 52.32 C ATOM 1188 CG ASP A 71 15.623 -8.503 -0.762 1.00 55.44 C ATOM 1189 OD1 ASP A 71 16.060 -8.354 -1.923 1.00 4.40 O ATOM 1190 OD2 ASP A 71 15.763 -9.562 -0.121 1.00 53.21 O ATOM 0 H ASP A 71 13.449 -5.358 0.133 1.00 33.13 H new ATOM 0 HA ASP A 71 13.272 -7.627 -1.562 1.00 60.21 H new ATOM 0 HB2 ASP A 71 15.314 -6.408 -0.431 1.00 52.32 H new ATOM 0 HB3 ASP A 71 14.957 -7.414 0.959 1.00 52.32 H new ATOM 1195 N ARG A 72 11.723 -8.000 1.190 1.00 51.32 N ATOM 1196 CA ARG A 72 10.911 -8.926 1.995 1.00 64.41 C ATOM 1197 C ARG A 72 9.409 -8.807 1.671 1.00 71.22 C ATOM 1198 O ARG A 72 8.581 -9.488 2.277 1.00 33.45 O ATOM 1199 CB ARG A 72 11.151 -8.666 3.489 1.00 73.41 C ATOM 1200 CG ARG A 72 10.988 -7.204 3.884 1.00 1.41 C ATOM 1201 CD ARG A 72 11.198 -6.979 5.376 1.00 44.24 C ATOM 1202 NE ARG A 72 10.115 -7.540 6.177 1.00 40.40 N ATOM 1203 CZ ARG A 72 9.992 -7.359 7.463 1.00 52.33 C ATOM 1204 NH1 ARG A 72 10.903 -6.728 8.133 1.00 30.42 N ATOM 1205 NH2 ARG A 72 8.970 -7.837 8.084 1.00 63.10 N ATOM 0 H ARG A 72 11.546 -7.014 1.380 1.00 51.32 H new ATOM 0 HA ARG A 72 11.220 -9.941 1.745 1.00 64.41 H new ATOM 0 HB2 ARG A 72 10.456 -9.271 4.071 1.00 73.41 H new ATOM 0 HB3 ARG A 72 12.157 -8.995 3.750 1.00 73.41 H new ATOM 0 HG2 ARG A 72 11.700 -6.598 3.324 1.00 1.41 H new ATOM 0 HG3 ARG A 72 9.991 -6.864 3.605 1.00 1.41 H new ATOM 0 HD2 ARG A 72 12.143 -7.429 5.680 1.00 44.24 H new ATOM 0 HD3 ARG A 72 11.277 -5.910 5.573 1.00 44.24 H new ATOM 0 HE ARG A 72 9.412 -8.107 5.703 1.00 40.40 H new ATOM 0 HH11 ARG A 72 11.728 -6.366 7.655 1.00 30.42 H new ATOM 0 HH12 ARG A 72 10.795 -6.593 9.138 1.00 30.42 H new ATOM 0 HH21 ARG A 72 8.258 -8.356 7.570 1.00 63.10 H new ATOM 0 HH22 ARG A 72 8.873 -7.696 9.090 1.00 63.10 H new ATOM 1219 N PHE A 73 9.059 -7.951 0.708 1.00 4.03 N ATOM 1220 CA PHE A 73 7.649 -7.745 0.327 1.00 24.34 C ATOM 1221 C PHE A 73 7.439 -7.717 -1.201 1.00 23.42 C ATOM 1222 O PHE A 73 6.301 -7.667 -1.671 1.00 21.13 O ATOM 1223 CB PHE A 73 7.116 -6.438 0.937 1.00 40.40 C ATOM 1224 CG PHE A 73 6.663 -6.559 2.374 1.00 74.23 C ATOM 1225 CD1 PHE A 73 5.380 -6.993 2.669 1.00 70.12 C ATOM 1226 CD2 PHE A 73 7.509 -6.230 3.427 1.00 51.33 C ATOM 1227 CE1 PHE A 73 4.948 -7.099 3.977 1.00 24.12 C ATOM 1228 CE2 PHE A 73 7.081 -6.337 4.737 1.00 4.24 C ATOM 1229 CZ PHE A 73 5.799 -6.771 5.013 1.00 43.42 C ATOM 0 H PHE A 73 9.725 -7.389 0.177 1.00 4.03 H new ATOM 0 HA PHE A 73 7.095 -8.598 0.720 1.00 24.34 H new ATOM 0 HB2 PHE A 73 7.896 -5.679 0.877 1.00 40.40 H new ATOM 0 HB3 PHE A 73 6.280 -6.084 0.334 1.00 40.40 H new ATOM 0 HD1 PHE A 73 4.708 -7.252 1.864 1.00 70.12 H new ATOM 0 HD2 PHE A 73 8.512 -5.887 3.219 1.00 51.33 H new ATOM 0 HE1 PHE A 73 3.945 -7.438 4.189 1.00 24.12 H new ATOM 0 HE2 PHE A 73 7.750 -6.081 5.546 1.00 4.24 H new ATOM 0 HZ PHE A 73 5.464 -6.853 6.036 1.00 43.42 H new ATOM 1239 N ASP A 74 8.527 -7.743 -1.968 1.00 20.32 N ATOM 1240 CA ASP A 74 8.455 -7.642 -3.433 1.00 62.34 C ATOM 1241 C ASP A 74 7.604 -8.759 -4.076 1.00 3.11 C ATOM 1242 O ASP A 74 8.090 -9.853 -4.369 1.00 51.21 O ATOM 1243 CB ASP A 74 9.870 -7.616 -4.033 1.00 55.44 C ATOM 1244 CG ASP A 74 10.691 -8.853 -3.694 1.00 14.11 C ATOM 1245 OD1 ASP A 74 10.989 -9.073 -2.503 1.00 4.44 O ATOM 1246 OD2 ASP A 74 11.050 -9.612 -4.621 1.00 24.52 O ATOM 0 H ASP A 74 9.475 -7.833 -1.602 1.00 20.32 H new ATOM 0 HA ASP A 74 7.949 -6.704 -3.663 1.00 62.34 H new ATOM 0 HB2 ASP A 74 9.796 -7.523 -5.117 1.00 55.44 H new ATOM 0 HB3 ASP A 74 10.394 -6.731 -3.672 1.00 55.44 H new ATOM 1251 N GLY A 75 6.317 -8.476 -4.270 1.00 74.31 N ATOM 1252 CA GLY A 75 5.431 -9.407 -4.958 1.00 31.14 C ATOM 1253 C GLY A 75 4.964 -10.566 -4.082 1.00 33.15 C ATOM 1254 O GLY A 75 4.729 -11.670 -4.579 1.00 15.04 O ATOM 0 H GLY A 75 5.868 -7.613 -3.961 1.00 74.31 H new ATOM 0 HA2 GLY A 75 4.559 -8.864 -5.323 1.00 31.14 H new ATOM 0 HA3 GLY A 75 5.946 -9.807 -5.832 1.00 31.14 H new ATOM 1258 N TYR A 76 4.829 -10.328 -2.778 1.00 34.51 N ATOM 1259 CA TYR A 76 4.368 -11.372 -1.852 1.00 11.31 C ATOM 1260 C TYR A 76 2.847 -11.579 -1.978 1.00 12.12 C ATOM 1261 O TYR A 76 2.111 -10.650 -2.315 1.00 11.21 O ATOM 1262 CB TYR A 76 4.750 -11.019 -0.402 1.00 10.05 C ATOM 1263 CG TYR A 76 3.724 -10.180 0.340 1.00 62.33 C ATOM 1264 CD1 TYR A 76 3.573 -8.821 0.080 1.00 61.11 C ATOM 1265 CD2 TYR A 76 2.906 -10.757 1.308 1.00 24.41 C ATOM 1266 CE1 TYR A 76 2.637 -8.066 0.763 1.00 25.25 C ATOM 1267 CE2 TYR A 76 1.969 -10.008 1.992 1.00 24.34 C ATOM 1268 CZ TYR A 76 1.838 -8.665 1.717 1.00 25.14 C ATOM 1269 OH TYR A 76 0.905 -7.918 2.404 1.00 61.42 O ATOM 0 H TYR A 76 5.029 -9.430 -2.337 1.00 34.51 H new ATOM 0 HA TYR A 76 4.862 -12.306 -2.118 1.00 11.31 H new ATOM 0 HB2 TYR A 76 4.912 -11.944 0.152 1.00 10.05 H new ATOM 0 HB3 TYR A 76 5.699 -10.483 -0.411 1.00 10.05 H new ATOM 0 HD1 TYR A 76 4.196 -8.349 -0.666 1.00 61.11 H new ATOM 0 HD2 TYR A 76 3.006 -11.810 1.528 1.00 24.41 H new ATOM 0 HE1 TYR A 76 2.531 -7.012 0.551 1.00 25.25 H new ATOM 0 HE2 TYR A 76 1.342 -10.473 2.739 1.00 24.34 H new ATOM 0 HH TYR A 76 0.427 -8.493 3.037 1.00 61.42 H new ATOM 1279 N ILE A 77 2.382 -12.796 -1.704 1.00 41.32 N ATOM 1280 CA ILE A 77 0.963 -13.139 -1.864 1.00 15.21 C ATOM 1281 C ILE A 77 0.164 -12.932 -0.564 1.00 33.51 C ATOM 1282 O ILE A 77 0.220 -13.752 0.354 1.00 72.41 O ATOM 1283 CB ILE A 77 0.797 -14.609 -2.336 1.00 34.54 C ATOM 1284 CG1 ILE A 77 1.569 -14.843 -3.649 1.00 55.31 C ATOM 1285 CG2 ILE A 77 -0.684 -14.959 -2.507 1.00 62.11 C ATOM 1286 CD1 ILE A 77 1.018 -14.077 -4.836 1.00 62.53 C ATOM 0 H ILE A 77 2.964 -13.564 -1.370 1.00 41.32 H new ATOM 0 HA ILE A 77 0.566 -12.464 -2.622 1.00 15.21 H new ATOM 0 HB ILE A 77 1.213 -15.265 -1.572 1.00 34.54 H new ATOM 0 HG12 ILE A 77 2.611 -14.561 -3.500 1.00 55.31 H new ATOM 0 HG13 ILE A 77 1.557 -15.908 -3.880 1.00 55.31 H new ATOM 0 HG21 ILE A 77 -0.778 -15.993 -2.838 1.00 62.11 H new ATOM 0 HG22 ILE A 77 -1.200 -14.835 -1.555 1.00 62.11 H new ATOM 0 HG23 ILE A 77 -1.131 -14.298 -3.250 1.00 62.11 H new ATOM 0 HD11 ILE A 77 1.617 -14.296 -5.720 1.00 62.53 H new ATOM 0 HD12 ILE A 77 -0.015 -14.376 -5.014 1.00 62.53 H new ATOM 0 HD13 ILE A 77 1.056 -13.008 -4.628 1.00 62.53 H new ATOM 1298 N PHE A 78 -0.570 -11.824 -0.490 1.00 60.13 N ATOM 1299 CA PHE A 78 -1.483 -11.577 0.633 1.00 40.12 C ATOM 1300 C PHE A 78 -2.874 -12.169 0.350 1.00 44.12 C ATOM 1301 O PHE A 78 -3.431 -11.977 -0.727 1.00 61.10 O ATOM 1302 CB PHE A 78 -1.602 -10.071 0.913 1.00 52.30 C ATOM 1303 CG PHE A 78 -2.637 -9.735 1.961 1.00 21.24 C ATOM 1304 CD1 PHE A 78 -2.410 -10.022 3.300 1.00 21.24 C ATOM 1305 CD2 PHE A 78 -3.842 -9.144 1.603 1.00 30.54 C ATOM 1306 CE1 PHE A 78 -3.362 -9.728 4.257 1.00 14.41 C ATOM 1307 CE2 PHE A 78 -4.795 -8.846 2.556 1.00 23.42 C ATOM 1308 CZ PHE A 78 -4.556 -9.140 3.884 1.00 45.05 C ATOM 0 H PHE A 78 -0.553 -11.082 -1.190 1.00 60.13 H new ATOM 0 HA PHE A 78 -1.069 -12.068 1.514 1.00 40.12 H new ATOM 0 HB2 PHE A 78 -0.633 -9.691 1.236 1.00 52.30 H new ATOM 0 HB3 PHE A 78 -1.854 -9.556 -0.014 1.00 52.30 H new ATOM 0 HD1 PHE A 78 -1.478 -10.480 3.597 1.00 21.24 H new ATOM 0 HD2 PHE A 78 -4.036 -8.915 0.566 1.00 30.54 H new ATOM 0 HE1 PHE A 78 -3.174 -9.957 5.295 1.00 14.41 H new ATOM 0 HE2 PHE A 78 -5.726 -8.384 2.264 1.00 23.42 H new ATOM 0 HZ PHE A 78 -5.302 -8.911 4.631 1.00 45.05 H new ATOM 1318 N LEU A 79 -3.433 -12.886 1.322 1.00 20.10 N ATOM 1319 CA LEU A 79 -4.764 -13.490 1.172 1.00 53.22 C ATOM 1320 C LEU A 79 -5.806 -12.820 2.083 1.00 71.14 C ATOM 1321 O LEU A 79 -5.645 -12.768 3.303 1.00 31.41 O ATOM 1322 CB LEU A 79 -4.694 -14.996 1.470 1.00 14.31 C ATOM 1323 CG LEU A 79 -3.970 -15.838 0.405 1.00 43.12 C ATOM 1324 CD1 LEU A 79 -3.727 -17.261 0.907 1.00 43.44 C ATOM 1325 CD2 LEU A 79 -4.775 -15.858 -0.894 1.00 62.12 C ATOM 0 H LEU A 79 -2.989 -13.066 2.223 1.00 20.10 H new ATOM 0 HA LEU A 79 -5.082 -13.335 0.141 1.00 53.22 H new ATOM 0 HB2 LEU A 79 -4.192 -15.139 2.427 1.00 14.31 H new ATOM 0 HB3 LEU A 79 -5.709 -15.376 1.583 1.00 14.31 H new ATOM 0 HG LEU A 79 -3.001 -15.379 0.208 1.00 43.12 H new ATOM 0 HD11 LEU A 79 -3.214 -17.836 0.136 1.00 43.44 H new ATOM 0 HD12 LEU A 79 -3.112 -17.230 1.806 1.00 43.44 H new ATOM 0 HD13 LEU A 79 -4.682 -17.734 1.137 1.00 43.44 H new ATOM 0 HD21 LEU A 79 -4.250 -16.457 -1.638 1.00 62.12 H new ATOM 0 HD22 LEU A 79 -5.758 -16.291 -0.706 1.00 62.12 H new ATOM 0 HD23 LEU A 79 -4.892 -14.840 -1.265 1.00 62.12 H new ATOM 1337 N ASP A 80 -6.873 -12.301 1.479 1.00 31.13 N ATOM 1338 CA ASP A 80 -7.994 -11.725 2.234 1.00 10.21 C ATOM 1339 C ASP A 80 -8.945 -12.834 2.741 1.00 31.44 C ATOM 1340 O ASP A 80 -8.795 -14.005 2.379 1.00 53.21 O ATOM 1341 CB ASP A 80 -8.753 -10.725 1.344 1.00 71.15 C ATOM 1342 CG ASP A 80 -9.888 -10.034 2.081 1.00 44.41 C ATOM 1343 OD1 ASP A 80 -9.614 -9.082 2.839 1.00 14.31 O ATOM 1344 OD2 ASP A 80 -11.050 -10.471 1.934 1.00 34.44 O ATOM 0 H ASP A 80 -6.989 -12.266 0.466 1.00 31.13 H new ATOM 0 HA ASP A 80 -7.601 -11.201 3.105 1.00 10.21 H new ATOM 0 HB2 ASP A 80 -8.056 -9.974 0.971 1.00 71.15 H new ATOM 0 HB3 ASP A 80 -9.153 -11.248 0.475 1.00 71.15 H new ATOM 1349 N SER A 81 -9.913 -12.462 3.586 1.00 44.42 N ATOM 1350 CA SER A 81 -10.938 -13.405 4.074 1.00 2.31 C ATOM 1351 C SER A 81 -11.688 -14.075 2.914 1.00 2.13 C ATOM 1352 O SER A 81 -12.072 -15.241 2.998 1.00 1.01 O ATOM 1353 CB SER A 81 -11.947 -12.687 4.986 1.00 73.13 C ATOM 1354 OG SER A 81 -11.326 -12.173 6.158 1.00 4.24 O ATOM 0 H SER A 81 -10.012 -11.514 3.949 1.00 44.42 H new ATOM 0 HA SER A 81 -10.419 -14.177 4.643 1.00 2.31 H new ATOM 0 HB2 SER A 81 -12.418 -11.872 4.437 1.00 73.13 H new ATOM 0 HB3 SER A 81 -12.739 -13.380 5.268 1.00 73.13 H new ATOM 0 HG SER A 81 -11.997 -11.722 6.713 1.00 4.24 H new ATOM 1360 N LYS A 82 -11.895 -13.332 1.828 1.00 71.35 N ATOM 1361 CA LYS A 82 -12.546 -13.880 0.625 1.00 34.14 C ATOM 1362 C LYS A 82 -11.571 -14.695 -0.247 1.00 25.24 C ATOM 1363 O LYS A 82 -11.881 -15.017 -1.397 1.00 74.44 O ATOM 1364 CB LYS A 82 -13.177 -12.746 -0.201 1.00 62.33 C ATOM 1365 CG LYS A 82 -14.561 -12.323 0.289 1.00 21.32 C ATOM 1366 CD LYS A 82 -15.559 -13.477 0.193 1.00 11.44 C ATOM 1367 CE LYS A 82 -16.967 -13.067 0.603 1.00 32.35 C ATOM 1368 NZ LYS A 82 -17.909 -14.216 0.531 1.00 33.13 N ATOM 0 H LYS A 82 -11.625 -12.352 1.750 1.00 71.35 H new ATOM 0 HA LYS A 82 -13.327 -14.562 0.962 1.00 34.14 H new ATOM 0 HB2 LYS A 82 -12.514 -11.881 -0.179 1.00 62.33 H new ATOM 0 HB3 LYS A 82 -13.252 -13.065 -1.241 1.00 62.33 H new ATOM 0 HG2 LYS A 82 -14.495 -11.981 1.322 1.00 21.32 H new ATOM 0 HG3 LYS A 82 -14.917 -11.480 -0.304 1.00 21.32 H new ATOM 0 HD2 LYS A 82 -15.577 -13.853 -0.830 1.00 11.44 H new ATOM 0 HD3 LYS A 82 -15.223 -14.297 0.828 1.00 11.44 H new ATOM 0 HE2 LYS A 82 -16.951 -12.671 1.618 1.00 32.35 H new ATOM 0 HE3 LYS A 82 -17.318 -12.265 -0.047 1.00 32.35 H new ATOM 0 HZ1 LYS A 82 -18.859 -13.904 0.816 1.00 33.13 H new ATOM 0 HZ2 LYS A 82 -17.941 -14.578 -0.443 1.00 33.13 H new ATOM 0 HZ3 LYS A 82 -17.586 -14.970 1.170 1.00 33.13 H new ATOM 1382 N GLY A 83 -10.406 -15.041 0.304 1.00 72.22 N ATOM 1383 CA GLY A 83 -9.427 -15.835 -0.433 1.00 35.44 C ATOM 1384 C GLY A 83 -8.902 -15.137 -1.686 1.00 30.33 C ATOM 1385 O GLY A 83 -8.596 -15.785 -2.689 1.00 43.32 O ATOM 0 H GLY A 83 -10.121 -14.786 1.250 1.00 72.22 H new ATOM 0 HA2 GLY A 83 -8.588 -16.066 0.224 1.00 35.44 H new ATOM 0 HA3 GLY A 83 -9.880 -16.785 -0.718 1.00 35.44 H new ATOM 1389 N LEU A 84 -8.805 -13.813 -1.630 1.00 72.40 N ATOM 1390 CA LEU A 84 -8.299 -13.030 -2.758 1.00 34.54 C ATOM 1391 C LEU A 84 -6.773 -12.890 -2.682 1.00 61.33 C ATOM 1392 O LEU A 84 -6.238 -12.357 -1.711 1.00 10.32 O ATOM 1393 CB LEU A 84 -8.955 -11.639 -2.774 1.00 44.55 C ATOM 1394 CG LEU A 84 -10.495 -11.636 -2.807 1.00 31.31 C ATOM 1395 CD1 LEU A 84 -11.037 -10.207 -2.768 1.00 3.32 C ATOM 1396 CD2 LEU A 84 -11.011 -12.376 -4.040 1.00 42.24 C ATOM 0 H LEU A 84 -9.069 -13.257 -0.817 1.00 72.40 H new ATOM 0 HA LEU A 84 -8.552 -13.554 -3.680 1.00 34.54 H new ATOM 0 HB2 LEU A 84 -8.626 -11.091 -1.891 1.00 44.55 H new ATOM 0 HB3 LEU A 84 -8.589 -11.093 -3.643 1.00 44.55 H new ATOM 0 HG LEU A 84 -10.854 -12.159 -1.920 1.00 31.31 H new ATOM 0 HD11 LEU A 84 -12.126 -10.230 -2.792 1.00 3.32 H new ATOM 0 HD12 LEU A 84 -10.705 -9.717 -1.853 1.00 3.32 H new ATOM 0 HD13 LEU A 84 -10.667 -9.654 -3.631 1.00 3.32 H new ATOM 0 HD21 LEU A 84 -12.101 -12.362 -4.043 1.00 42.24 H new ATOM 0 HD22 LEU A 84 -10.639 -11.887 -4.940 1.00 42.24 H new ATOM 0 HD23 LEU A 84 -10.662 -13.408 -4.017 1.00 42.24 H new ATOM 1408 N GLU A 85 -6.078 -13.398 -3.699 1.00 41.44 N ATOM 1409 CA GLU A 85 -4.621 -13.275 -3.781 1.00 74.32 C ATOM 1410 C GLU A 85 -4.197 -11.857 -4.182 1.00 31.11 C ATOM 1411 O GLU A 85 -4.600 -11.347 -5.231 1.00 20.23 O ATOM 1412 CB GLU A 85 -4.045 -14.274 -4.793 1.00 20.22 C ATOM 1413 CG GLU A 85 -4.227 -15.736 -4.406 1.00 71.32 C ATOM 1414 CD GLU A 85 -3.596 -16.684 -5.415 1.00 74.21 C ATOM 1415 OE1 GLU A 85 -2.383 -16.966 -5.304 1.00 22.42 O ATOM 1416 OE2 GLU A 85 -4.308 -17.146 -6.332 1.00 61.21 O ATOM 0 H GLU A 85 -6.501 -13.900 -4.480 1.00 41.44 H new ATOM 0 HA GLU A 85 -4.227 -13.493 -2.788 1.00 74.32 H new ATOM 0 HB2 GLU A 85 -4.517 -14.105 -5.761 1.00 20.22 H new ATOM 0 HB3 GLU A 85 -2.981 -14.073 -4.918 1.00 20.22 H new ATOM 0 HG2 GLU A 85 -3.785 -15.907 -3.424 1.00 71.32 H new ATOM 0 HG3 GLU A 85 -5.291 -15.957 -4.320 1.00 71.32 H new ATOM 1423 N TYR A 86 -3.382 -11.234 -3.344 1.00 72.02 N ATOM 1424 CA TYR A 86 -2.807 -9.922 -3.638 1.00 60.51 C ATOM 1425 C TYR A 86 -1.279 -10.020 -3.753 1.00 25.54 C ATOM 1426 O TYR A 86 -0.569 -9.952 -2.748 1.00 11.32 O ATOM 1427 CB TYR A 86 -3.189 -8.911 -2.546 1.00 72.12 C ATOM 1428 CG TYR A 86 -4.684 -8.652 -2.438 1.00 30.20 C ATOM 1429 CD1 TYR A 86 -5.311 -7.738 -3.278 1.00 33.31 C ATOM 1430 CD2 TYR A 86 -5.469 -9.321 -1.501 1.00 43.43 C ATOM 1431 CE1 TYR A 86 -6.670 -7.497 -3.189 1.00 64.22 C ATOM 1432 CE2 TYR A 86 -6.829 -9.083 -1.409 1.00 71.31 C ATOM 1433 CZ TYR A 86 -7.423 -8.171 -2.255 1.00 14.40 C ATOM 1434 OH TYR A 86 -8.777 -7.930 -2.166 1.00 15.05 O ATOM 0 H TYR A 86 -3.099 -11.619 -2.443 1.00 72.02 H new ATOM 0 HA TYR A 86 -3.209 -9.577 -4.591 1.00 60.51 H new ATOM 0 HB2 TYR A 86 -2.823 -9.274 -1.585 1.00 72.12 H new ATOM 0 HB3 TYR A 86 -2.681 -7.968 -2.745 1.00 72.12 H new ATOM 0 HD1 TYR A 86 -4.726 -7.206 -4.014 1.00 33.31 H new ATOM 0 HD2 TYR A 86 -5.009 -10.037 -0.836 1.00 43.43 H new ATOM 0 HE1 TYR A 86 -7.138 -6.783 -3.850 1.00 64.22 H new ATOM 0 HE2 TYR A 86 -7.423 -9.610 -0.677 1.00 71.31 H new ATOM 0 HH TYR A 86 -9.119 -8.291 -1.321 1.00 15.05 H new ATOM 1444 N PRO A 87 -0.751 -10.216 -4.979 1.00 4.24 N ATOM 1445 CA PRO A 87 0.697 -10.268 -5.223 1.00 62.30 C ATOM 1446 C PRO A 87 1.321 -8.867 -5.177 1.00 62.45 C ATOM 1447 O PRO A 87 1.785 -8.343 -6.190 1.00 24.42 O ATOM 1448 CB PRO A 87 0.819 -10.881 -6.634 1.00 20.41 C ATOM 1449 CG PRO A 87 -0.580 -11.189 -7.085 1.00 55.33 C ATOM 1450 CD PRO A 87 -1.513 -10.386 -6.220 1.00 44.24 C ATOM 0 HA PRO A 87 1.224 -10.849 -4.466 1.00 62.30 H new ATOM 0 HB2 PRO A 87 1.304 -10.185 -7.319 1.00 20.41 H new ATOM 0 HB3 PRO A 87 1.428 -11.785 -6.614 1.00 20.41 H new ATOM 0 HG2 PRO A 87 -0.711 -10.930 -8.136 1.00 55.33 H new ATOM 0 HG3 PRO A 87 -0.789 -12.255 -6.990 1.00 55.33 H new ATOM 0 HD2 PRO A 87 -1.761 -9.427 -6.676 1.00 44.24 H new ATOM 0 HD3 PRO A 87 -2.453 -10.909 -6.047 1.00 44.24 H new ATOM 1458 N ALA A 88 1.329 -8.274 -3.990 1.00 10.42 N ATOM 1459 CA ALA A 88 1.696 -6.867 -3.825 1.00 74.10 C ATOM 1460 C ALA A 88 3.142 -6.575 -4.258 1.00 75.34 C ATOM 1461 O ALA A 88 4.097 -6.881 -3.542 1.00 22.12 O ATOM 1462 CB ALA A 88 1.473 -6.441 -2.382 1.00 61.21 C ATOM 0 H ALA A 88 1.084 -8.747 -3.120 1.00 10.42 H new ATOM 0 HA ALA A 88 1.052 -6.284 -4.483 1.00 74.10 H new ATOM 0 HB1 ALA A 88 1.748 -5.393 -2.265 1.00 61.21 H new ATOM 0 HB2 ALA A 88 0.422 -6.572 -2.122 1.00 61.21 H new ATOM 0 HB3 ALA A 88 2.089 -7.053 -1.723 1.00 61.21 H new ATOM 1468 N VAL A 89 3.293 -5.982 -5.437 1.00 15.42 N ATOM 1469 CA VAL A 89 4.612 -5.642 -5.973 1.00 51.30 C ATOM 1470 C VAL A 89 5.058 -4.244 -5.512 1.00 23.52 C ATOM 1471 O VAL A 89 4.708 -3.235 -6.123 1.00 2.44 O ATOM 1472 CB VAL A 89 4.622 -5.698 -7.526 1.00 4.10 C ATOM 1473 CG1 VAL A 89 6.003 -5.360 -8.081 1.00 75.24 C ATOM 1474 CG2 VAL A 89 4.160 -7.068 -8.019 1.00 33.02 C ATOM 0 H VAL A 89 2.516 -5.724 -6.045 1.00 15.42 H new ATOM 0 HA VAL A 89 5.312 -6.383 -5.587 1.00 51.30 H new ATOM 0 HB VAL A 89 3.922 -4.947 -7.893 1.00 4.10 H new ATOM 0 HG11 VAL A 89 5.979 -5.407 -9.170 1.00 75.24 H new ATOM 0 HG12 VAL A 89 6.285 -4.355 -7.768 1.00 75.24 H new ATOM 0 HG13 VAL A 89 6.732 -6.076 -7.703 1.00 75.24 H new ATOM 0 HG21 VAL A 89 4.174 -7.086 -9.109 1.00 33.02 H new ATOM 0 HG22 VAL A 89 4.829 -7.838 -7.634 1.00 33.02 H new ATOM 0 HG23 VAL A 89 3.147 -7.259 -7.666 1.00 33.02 H new ATOM 1484 N VAL A 90 5.808 -4.187 -4.415 1.00 13.40 N ATOM 1485 CA VAL A 90 6.354 -2.919 -3.926 1.00 10.04 C ATOM 1486 C VAL A 90 7.554 -2.464 -4.778 1.00 44.52 C ATOM 1487 O VAL A 90 8.602 -3.115 -4.808 1.00 25.24 O ATOM 1488 CB VAL A 90 6.759 -3.015 -2.428 1.00 23.43 C ATOM 1489 CG1 VAL A 90 7.770 -4.140 -2.194 1.00 40.43 C ATOM 1490 CG2 VAL A 90 7.302 -1.675 -1.925 1.00 15.14 C ATOM 0 H VAL A 90 6.052 -4.999 -3.848 1.00 13.40 H new ATOM 0 HA VAL A 90 5.566 -2.172 -4.016 1.00 10.04 H new ATOM 0 HB VAL A 90 5.863 -3.255 -1.856 1.00 23.43 H new ATOM 0 HG11 VAL A 90 8.032 -4.180 -1.137 1.00 40.43 H new ATOM 0 HG12 VAL A 90 7.332 -5.091 -2.495 1.00 40.43 H new ATOM 0 HG13 VAL A 90 8.667 -3.951 -2.783 1.00 40.43 H new ATOM 0 HG21 VAL A 90 7.579 -1.766 -0.875 1.00 15.14 H new ATOM 0 HG22 VAL A 90 8.179 -1.396 -2.509 1.00 15.14 H new ATOM 0 HG23 VAL A 90 6.535 -0.908 -2.033 1.00 15.14 H new ATOM 1500 N GLU A 91 7.389 -1.351 -5.486 1.00 51.34 N ATOM 1501 CA GLU A 91 8.440 -0.829 -6.367 1.00 51.14 C ATOM 1502 C GLU A 91 8.552 0.696 -6.259 1.00 62.24 C ATOM 1503 O GLU A 91 7.565 1.386 -6.010 1.00 62.40 O ATOM 1504 CB GLU A 91 8.167 -1.236 -7.823 1.00 62.22 C ATOM 1505 CG GLU A 91 6.830 -0.745 -8.368 1.00 74.42 C ATOM 1506 CD GLU A 91 6.613 -1.136 -9.822 1.00 25.21 C ATOM 1507 OE1 GLU A 91 6.124 -2.255 -10.078 1.00 61.45 O ATOM 1508 OE2 GLU A 91 6.937 -0.325 -10.718 1.00 32.41 O ATOM 0 H GLU A 91 6.538 -0.789 -5.470 1.00 51.34 H new ATOM 0 HA GLU A 91 9.388 -1.261 -6.047 1.00 51.14 H new ATOM 0 HB2 GLU A 91 8.968 -0.849 -8.453 1.00 62.22 H new ATOM 0 HB3 GLU A 91 8.200 -2.323 -7.897 1.00 62.22 H new ATOM 0 HG2 GLU A 91 6.022 -1.154 -7.761 1.00 74.42 H new ATOM 0 HG3 GLU A 91 6.780 0.340 -8.276 1.00 74.42 H new ATOM 1515 N PHE A 92 9.760 1.219 -6.443 1.00 51.23 N ATOM 1516 CA PHE A 92 9.990 2.667 -6.364 1.00 33.03 C ATOM 1517 C PHE A 92 9.197 3.440 -7.432 1.00 5.03 C ATOM 1518 O PHE A 92 8.820 2.895 -8.476 1.00 13.03 O ATOM 1519 CB PHE A 92 11.487 2.991 -6.468 1.00 34.34 C ATOM 1520 CG PHE A 92 12.225 2.158 -7.485 1.00 43.05 C ATOM 1521 CD1 PHE A 92 12.053 2.368 -8.845 1.00 34.11 C ATOM 1522 CD2 PHE A 92 13.085 1.155 -7.070 1.00 72.32 C ATOM 1523 CE1 PHE A 92 12.729 1.595 -9.769 1.00 42.34 C ATOM 1524 CE2 PHE A 92 13.763 0.378 -7.989 1.00 43.22 C ATOM 1525 CZ PHE A 92 13.584 0.598 -9.342 1.00 12.42 C ATOM 0 H PHE A 92 10.595 0.669 -6.647 1.00 51.23 H new ATOM 0 HA PHE A 92 9.628 2.993 -5.389 1.00 33.03 H new ATOM 0 HB2 PHE A 92 11.604 4.044 -6.723 1.00 34.34 H new ATOM 0 HB3 PHE A 92 11.948 2.846 -5.491 1.00 34.34 H new ATOM 0 HD1 PHE A 92 11.383 3.144 -9.185 1.00 34.11 H new ATOM 0 HD2 PHE A 92 13.227 0.978 -6.014 1.00 72.32 H new ATOM 0 HE1 PHE A 92 12.589 1.770 -10.825 1.00 42.34 H new ATOM 0 HE2 PHE A 92 14.432 -0.400 -7.651 1.00 43.22 H new ATOM 0 HZ PHE A 92 14.112 -0.008 -10.063 1.00 12.42 H new ATOM 1535 N ALA A 93 8.959 4.715 -7.156 1.00 71.11 N ATOM 1536 CA ALA A 93 8.162 5.573 -8.038 1.00 63.44 C ATOM 1537 C ALA A 93 9.047 6.516 -8.862 1.00 71.41 C ATOM 1538 O ALA A 93 10.181 6.806 -8.476 1.00 40.30 O ATOM 1539 CB ALA A 93 7.164 6.377 -7.210 1.00 52.50 C ATOM 0 H ALA A 93 9.308 5.186 -6.321 1.00 71.11 H new ATOM 0 HA ALA A 93 7.625 4.932 -8.737 1.00 63.44 H new ATOM 0 HB1 ALA A 93 6.574 7.013 -7.869 1.00 52.50 H new ATOM 0 HB2 ALA A 93 6.502 5.696 -6.675 1.00 52.50 H new ATOM 0 HB3 ALA A 93 7.702 6.997 -6.493 1.00 52.50 H new