USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 441 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN : amide:sc= -4.63! C(o=-4.6!,f=-6.2!) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 16 MET CE :methyl 135:sc= -6.01! (180deg=-7.01!) USER MOD Set 2.2: A 34 SER OG : rot 180:sc= -0.2 USER MOD Single : A 36 ASN : amide:sc= -0.0629 K(o=-0.063,f=-1.5) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HE2:sc= -0.725 K(o=-0.73,f=-0.15) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0125 USER MOD Single : A 70 GLN : amide:sc= -0.0044 X(o=-0.0044,f=-0.031) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 77 ASN : amide:sc= -0.039 X(o=-0.039,f=-0.37) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 170:sc= 0 USER MOD Single : A 93 MET CE :methyl 171:sc= -6.31! (180deg=-6.44!) USER MOD Single : A 94 HIS : no HD1:sc= -0.355 X(o=-0.35,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -13.517 -9.724 -0.748 1.00 0.00 N ATOM 123 CA VAL A 12 -12.147 -10.061 -1.098 1.00 0.00 C ATOM 124 C VAL A 12 -11.873 -11.518 -0.718 1.00 0.00 C ATOM 125 O VAL A 12 -12.280 -11.972 0.350 1.00 0.00 O ATOM 126 CB VAL A 12 -11.181 -9.078 -0.435 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.728 -9.501 -0.661 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.421 -7.652 -0.934 1.00 0.00 C ATOM 0 HA VAL A 12 -11.993 -9.971 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.372 -9.093 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.062 -8.785 -0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.567 -10.491 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.519 -9.528 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.721 -6.973 -0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.272 -7.614 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.442 -7.351 -0.698 1.00 0.00 H new ATOM 138 N PRO A 13 -11.166 -12.228 -1.638 1.00 0.00 N ATOM 139 CA PRO A 13 -10.832 -13.624 -1.410 1.00 0.00 C ATOM 140 C PRO A 13 -9.702 -13.757 -0.387 1.00 0.00 C ATOM 141 O PRO A 13 -9.235 -12.760 0.161 1.00 0.00 O ATOM 142 CB PRO A 13 -10.461 -14.168 -2.780 1.00 0.00 C ATOM 143 CG PRO A 13 -10.152 -12.954 -3.641 1.00 0.00 C ATOM 144 CD PRO A 13 -10.668 -11.723 -2.914 1.00 0.00 C ATOM 0 HA PRO A 13 -11.659 -14.191 -0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.598 -14.831 -2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.280 -14.749 -3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.079 -12.873 -3.815 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.627 -13.048 -4.618 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.876 -10.989 -2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.458 -11.231 -3.481 1.00 0.00 H new ATOM 152 N ALA A 14 -9.295 -14.998 -0.161 1.00 0.00 N ATOM 153 CA ALA A 14 -8.229 -15.275 0.786 1.00 0.00 C ATOM 154 C ALA A 14 -6.931 -15.544 0.022 1.00 0.00 C ATOM 155 O ALA A 14 -5.906 -15.860 0.624 1.00 0.00 O ATOM 156 CB ALA A 14 -8.633 -16.448 1.681 1.00 0.00 C ATOM 0 H ALA A 14 -9.685 -15.823 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.058 -14.415 1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.833 -16.656 2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.544 -16.195 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.811 -17.330 1.066 1.00 0.00 H new ATOM 162 N ASP A 15 -7.018 -15.409 -1.294 1.00 0.00 N ATOM 163 CA ASP A 15 -5.863 -15.634 -2.146 1.00 0.00 C ATOM 164 C ASP A 15 -5.296 -14.286 -2.596 1.00 0.00 C ATOM 165 O ASP A 15 -4.116 -14.184 -2.930 1.00 0.00 O ATOM 166 CB ASP A 15 -6.248 -16.426 -3.398 1.00 0.00 C ATOM 167 CG ASP A 15 -5.177 -17.394 -3.905 1.00 0.00 C ATOM 168 OD1 ASP A 15 -4.236 -17.659 -3.126 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.324 -17.847 -5.061 1.00 0.00 O ATOM 0 H ASP A 15 -7.870 -15.147 -1.790 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.127 -16.199 -1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.156 -16.991 -3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.487 -15.722 -4.195 1.00 0.00 H new ATOM 174 N MET A 16 -6.163 -13.284 -2.590 1.00 0.00 N ATOM 175 CA MET A 16 -5.764 -11.946 -2.993 1.00 0.00 C ATOM 176 C MET A 16 -5.756 -10.993 -1.797 1.00 0.00 C ATOM 177 O MET A 16 -6.405 -11.254 -0.785 1.00 0.00 O ATOM 178 CB MET A 16 -6.731 -11.423 -4.057 1.00 0.00 C ATOM 179 CG MET A 16 -6.709 -12.311 -5.303 1.00 0.00 C ATOM 180 SD MET A 16 -6.488 -11.309 -6.763 1.00 0.00 S ATOM 181 CE MET A 16 -4.846 -10.679 -6.461 1.00 0.00 C ATOM 0 H MET A 16 -7.141 -13.372 -2.312 1.00 0.00 H new ATOM 0 HA MET A 16 -4.754 -11.996 -3.401 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.741 -11.388 -3.649 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.461 -10.403 -4.329 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.902 -13.039 -5.226 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.640 -12.873 -5.375 1.00 0.00 H new ATOM 0 HE1 MET A 16 -4.255 -10.752 -7.374 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.908 -9.636 -6.152 1.00 0.00 H new ATOM 0 HE3 MET A 16 -4.371 -11.264 -5.673 1.00 0.00 H new ATOM 191 N ILE A 17 -5.014 -9.906 -1.952 1.00 0.00 N ATOM 192 CA ILE A 17 -4.913 -8.912 -0.897 1.00 0.00 C ATOM 193 C ILE A 17 -5.511 -7.592 -1.386 1.00 0.00 C ATOM 194 O ILE A 17 -5.073 -7.044 -2.397 1.00 0.00 O ATOM 195 CB ILE A 17 -3.466 -8.789 -0.413 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.918 -10.148 0.027 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.345 -7.738 0.692 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.488 -10.352 -0.478 1.00 0.00 C ATOM 0 H ILE A 17 -4.477 -9.692 -2.792 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.491 -9.221 -0.026 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.854 -8.450 -1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.937 -10.217 1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.559 -10.943 -0.354 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.307 -7.671 1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.669 -6.770 0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.973 -8.024 1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.122 -11.325 -0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.477 -10.307 -1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.845 -9.569 -0.076 1.00 0.00 H new ATOM 210 N ASN A 18 -6.504 -7.119 -0.648 1.00 0.00 N ATOM 211 CA ASN A 18 -7.168 -5.874 -0.994 1.00 0.00 C ATOM 212 C ASN A 18 -6.331 -4.697 -0.488 1.00 0.00 C ATOM 213 O ASN A 18 -5.976 -4.644 0.689 1.00 0.00 O ATOM 214 CB ASN A 18 -8.549 -5.786 -0.343 1.00 0.00 C ATOM 215 CG ASN A 18 -9.570 -5.172 -1.304 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.657 -5.527 -2.468 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.335 -4.234 -0.753 1.00 0.00 N ATOM 0 H ASN A 18 -6.865 -7.576 0.189 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.278 -5.841 -2.078 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.878 -6.781 -0.044 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.490 -5.184 0.564 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.047 -3.764 -1.311 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.209 -3.985 0.228 1.00 0.00 H new ATOM 224 N LEU A 19 -6.040 -3.783 -1.401 1.00 0.00 N ATOM 225 CA LEU A 19 -5.252 -2.610 -1.062 1.00 0.00 C ATOM 226 C LEU A 19 -6.129 -1.361 -1.174 1.00 0.00 C ATOM 227 O LEU A 19 -7.001 -1.286 -2.039 1.00 0.00 O ATOM 228 CB LEU A 19 -3.985 -2.550 -1.918 1.00 0.00 C ATOM 229 CG LEU A 19 -2.766 -3.289 -1.363 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.019 -2.427 -0.344 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.165 -4.647 -0.782 1.00 0.00 C ATOM 0 H LEU A 19 -6.336 -3.831 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.909 -2.668 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.216 -2.958 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.716 -1.503 -2.062 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.079 -3.481 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.157 -2.976 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.682 -1.508 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.685 -2.182 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.280 -5.151 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.882 -4.501 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.618 -5.258 -1.563 1.00 0.00 H new ATOM 243 N ARG A 20 -5.868 -0.412 -0.287 1.00 0.00 N ATOM 244 CA ARG A 20 -6.622 0.829 -0.275 1.00 0.00 C ATOM 245 C ARG A 20 -5.787 1.964 -0.871 1.00 0.00 C ATOM 246 O ARG A 20 -4.835 2.432 -0.249 1.00 0.00 O ATOM 247 CB ARG A 20 -7.041 1.206 1.147 1.00 0.00 C ATOM 248 CG ARG A 20 -8.422 1.864 1.156 1.00 0.00 C ATOM 249 CD ARG A 20 -8.922 2.071 2.588 1.00 0.00 C ATOM 250 NE ARG A 20 -10.271 1.482 2.743 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.078 1.720 3.786 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.678 2.534 4.772 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.286 1.142 3.843 1.00 0.00 N ATOM 0 H ARG A 20 -5.144 -0.478 0.429 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.518 0.678 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.055 0.315 1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.307 1.887 1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.375 2.824 0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.129 1.242 0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.231 1.609 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.952 3.135 2.821 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.607 0.856 2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.758 2.973 4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.293 2.715 5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.590 0.522 3.093 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.901 1.323 4.637 1.00 0.00 H new ATOM 267 N LEU A 21 -6.173 2.374 -2.071 1.00 0.00 N ATOM 268 CA LEU A 21 -5.472 3.445 -2.758 1.00 0.00 C ATOM 269 C LEU A 21 -6.193 4.769 -2.500 1.00 0.00 C ATOM 270 O LEU A 21 -7.359 4.925 -2.862 1.00 0.00 O ATOM 271 CB LEU A 21 -5.308 3.112 -4.242 1.00 0.00 C ATOM 272 CG LEU A 21 -4.397 1.926 -4.567 1.00 0.00 C ATOM 273 CD1 LEU A 21 -2.923 2.314 -4.434 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.750 0.712 -3.707 1.00 0.00 C ATOM 0 H LEU A 21 -6.963 1.983 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.461 3.552 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.295 2.912 -4.660 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.919 3.994 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.563 1.643 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.297 1.453 -4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.697 3.127 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.723 2.638 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.088 -0.117 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.631 0.965 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.783 0.421 -3.896 1.00 0.00 H new ATOM 286 N ILE A 22 -5.471 5.688 -1.877 1.00 0.00 N ATOM 287 CA ILE A 22 -6.028 6.994 -1.567 1.00 0.00 C ATOM 288 C ILE A 22 -5.439 8.035 -2.522 1.00 0.00 C ATOM 289 O ILE A 22 -4.324 8.510 -2.316 1.00 0.00 O ATOM 290 CB ILE A 22 -5.819 7.328 -0.089 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.467 6.272 0.809 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.321 8.738 0.231 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.475 5.758 1.854 1.00 0.00 C ATOM 0 H ILE A 22 -4.505 5.554 -1.578 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.107 6.994 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.749 7.313 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.338 6.698 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.823 5.441 0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.161 8.950 1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.775 9.464 -0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.385 8.805 0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.961 5.009 2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.617 5.311 1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.140 6.588 2.476 1.00 0.00 H new ATOM 416 N GLU A 30 -10.811 0.711 -3.915 1.00 0.00 N ATOM 417 CA GLU A 30 -10.361 -0.604 -3.493 1.00 0.00 C ATOM 418 C GLU A 30 -9.823 -1.391 -4.690 1.00 0.00 C ATOM 419 O GLU A 30 -10.454 -1.432 -5.745 1.00 0.00 O ATOM 420 CB GLU A 30 -11.486 -1.371 -2.794 1.00 0.00 C ATOM 421 CG GLU A 30 -11.790 -0.768 -1.421 1.00 0.00 C ATOM 422 CD GLU A 30 -12.959 -1.493 -0.751 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.865 -1.920 -1.498 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.919 -1.604 0.494 1.00 0.00 O ATOM 0 HA GLU A 30 -9.552 -0.475 -2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.384 -1.349 -3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.202 -2.417 -2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.906 -0.833 -0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.027 0.290 -1.529 1.00 0.00 H new ATOM 431 N PHE A 31 -8.661 -1.995 -4.486 1.00 0.00 N ATOM 432 CA PHE A 31 -8.031 -2.778 -5.536 1.00 0.00 C ATOM 433 C PHE A 31 -7.689 -4.184 -5.041 1.00 0.00 C ATOM 434 O PHE A 31 -7.943 -4.518 -3.884 1.00 0.00 O ATOM 435 CB PHE A 31 -6.737 -2.056 -5.917 1.00 0.00 C ATOM 436 CG PHE A 31 -6.944 -0.853 -6.839 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.063 -1.038 -8.182 1.00 0.00 C ATOM 438 CD2 PHE A 31 -7.010 0.401 -6.318 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.255 0.078 -9.038 1.00 0.00 C ATOM 440 CE2 PHE A 31 -7.202 1.518 -7.174 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.321 1.333 -8.516 1.00 0.00 C ATOM 0 H PHE A 31 -8.140 -1.958 -3.610 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.708 -2.875 -6.385 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.238 -1.722 -5.007 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.068 -2.764 -6.406 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.011 -2.034 -8.597 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.916 0.548 -5.252 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.349 -0.069 -10.104 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.253 2.514 -6.759 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.468 2.182 -9.167 1.00 0.00 H new ATOM 451 N LEU A 32 -7.118 -4.972 -5.941 1.00 0.00 N ATOM 452 CA LEU A 32 -6.739 -6.335 -5.610 1.00 0.00 C ATOM 453 C LEU A 32 -5.299 -6.583 -6.063 1.00 0.00 C ATOM 454 O LEU A 32 -4.846 -6.004 -7.049 1.00 0.00 O ATOM 455 CB LEU A 32 -7.747 -7.328 -6.192 1.00 0.00 C ATOM 456 CG LEU A 32 -9.028 -7.537 -5.381 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.260 -7.513 -6.287 1.00 0.00 C ATOM 458 CD2 LEU A 32 -8.949 -8.822 -4.554 1.00 0.00 C ATOM 0 H LEU A 32 -6.909 -4.692 -6.899 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.765 -6.487 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.024 -6.991 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.252 -8.292 -6.307 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.128 -6.708 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.157 -7.664 -5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.320 -6.550 -6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.182 -8.308 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.872 -8.947 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.813 -9.675 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.106 -8.761 -3.866 1.00 0.00 H new ATOM 470 N PHE A 33 -4.620 -7.445 -5.321 1.00 0.00 N ATOM 471 CA PHE A 33 -3.240 -7.777 -5.634 1.00 0.00 C ATOM 472 C PHE A 33 -2.858 -9.139 -5.050 1.00 0.00 C ATOM 473 O PHE A 33 -3.511 -9.630 -4.131 1.00 0.00 O ATOM 474 CB PHE A 33 -2.364 -6.697 -4.997 1.00 0.00 C ATOM 475 CG PHE A 33 -2.605 -5.292 -5.552 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.485 -5.059 -6.887 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.939 -4.277 -4.712 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.709 -3.755 -7.402 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.162 -2.973 -5.227 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.043 -2.739 -6.562 1.00 0.00 C ATOM 0 H PHE A 33 -4.999 -7.924 -4.504 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.104 -7.824 -6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.542 -6.687 -3.922 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.316 -6.960 -5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.220 -5.865 -7.555 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.035 -4.463 -3.652 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.614 -3.570 -8.462 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.426 -2.167 -4.559 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.214 -1.747 -6.954 1.00 0.00 H new ATOM 490 N SER A 34 -1.800 -9.710 -5.607 1.00 0.00 N ATOM 491 CA SER A 34 -1.323 -11.005 -5.152 1.00 0.00 C ATOM 492 C SER A 34 -0.074 -10.828 -4.286 1.00 0.00 C ATOM 493 O SER A 34 0.538 -9.761 -4.283 1.00 0.00 O ATOM 494 CB SER A 34 -1.022 -11.927 -6.335 1.00 0.00 C ATOM 495 OG SER A 34 -1.805 -13.117 -6.297 1.00 0.00 O ATOM 0 H SER A 34 -1.260 -9.300 -6.369 1.00 0.00 H new ATOM 0 HA SER A 34 -2.108 -11.469 -4.555 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.215 -11.396 -7.267 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.036 -12.189 -6.331 1.00 0.00 H new ATOM 0 HG SER A 34 -1.585 -13.678 -7.070 1.00 0.00 H new ATOM 501 N PRO A 35 0.277 -11.919 -3.554 1.00 0.00 N ATOM 502 CA PRO A 35 1.442 -11.894 -2.686 1.00 0.00 C ATOM 503 C PRO A 35 2.734 -11.982 -3.500 1.00 0.00 C ATOM 504 O PRO A 35 3.827 -11.840 -2.953 1.00 0.00 O ATOM 505 CB PRO A 35 1.254 -13.070 -1.741 1.00 0.00 C ATOM 506 CG PRO A 35 0.235 -13.981 -2.407 1.00 0.00 C ATOM 507 CD PRO A 35 -0.423 -13.199 -3.532 1.00 0.00 C ATOM 0 HA PRO A 35 1.531 -10.962 -2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.196 -13.593 -1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.900 -12.735 -0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.720 -14.876 -2.797 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.511 -14.312 -1.685 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.326 -13.719 -4.485 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.489 -13.064 -3.349 1.00 0.00 H new ATOM 515 N ASN A 36 2.566 -12.216 -4.793 1.00 0.00 N ATOM 516 CA ASN A 36 3.706 -12.325 -5.688 1.00 0.00 C ATOM 517 C ASN A 36 3.937 -10.979 -6.378 1.00 0.00 C ATOM 518 O ASN A 36 5.069 -10.640 -6.722 1.00 0.00 O ATOM 519 CB ASN A 36 3.457 -13.376 -6.772 1.00 0.00 C ATOM 520 CG ASN A 36 2.815 -14.632 -6.180 1.00 0.00 C ATOM 521 OD1 ASN A 36 1.642 -14.661 -5.843 1.00 0.00 O ATOM 522 ND2 ASN A 36 3.645 -15.665 -6.073 1.00 0.00 N ATOM 0 H ASN A 36 1.658 -12.333 -5.243 1.00 0.00 H new ATOM 0 HA ASN A 36 4.573 -12.617 -5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.809 -12.961 -7.544 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.399 -13.637 -7.254 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.312 -16.550 -5.690 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.615 -15.573 -6.374 1.00 0.00 H new ATOM 529 N ASP A 37 2.847 -10.249 -6.561 1.00 0.00 N ATOM 530 CA ASP A 37 2.917 -8.948 -7.204 1.00 0.00 C ATOM 531 C ASP A 37 3.886 -8.053 -6.431 1.00 0.00 C ATOM 532 O ASP A 37 4.044 -8.203 -5.220 1.00 0.00 O ATOM 533 CB ASP A 37 1.548 -8.265 -7.215 1.00 0.00 C ATOM 534 CG ASP A 37 0.503 -8.923 -8.118 1.00 0.00 C ATOM 535 OD1 ASP A 37 0.877 -9.903 -8.798 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.647 -8.433 -8.107 1.00 0.00 O ATOM 0 H ASP A 37 1.910 -10.534 -6.275 1.00 0.00 H new ATOM 0 HA ASP A 37 3.254 -9.097 -8.230 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.162 -8.242 -6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.678 -7.230 -7.530 1.00 0.00 H new ATOM 541 N SER A 38 4.510 -7.140 -7.161 1.00 0.00 N ATOM 542 CA SER A 38 5.460 -6.220 -6.559 1.00 0.00 C ATOM 543 C SER A 38 4.829 -4.833 -6.419 1.00 0.00 C ATOM 544 O SER A 38 3.699 -4.615 -6.853 1.00 0.00 O ATOM 545 CB SER A 38 6.746 -6.138 -7.383 1.00 0.00 C ATOM 546 OG SER A 38 6.700 -5.085 -8.342 1.00 0.00 O ATOM 0 H SER A 38 4.376 -7.018 -8.165 1.00 0.00 H new ATOM 0 HA SER A 38 5.719 -6.596 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.594 -5.984 -6.716 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.910 -7.087 -7.894 1.00 0.00 H new ATOM 0 HG SER A 38 7.540 -5.065 -8.846 1.00 0.00 H new ATOM 552 N ALA A 39 5.587 -3.932 -5.813 1.00 0.00 N ATOM 553 CA ALA A 39 5.117 -2.572 -5.611 1.00 0.00 C ATOM 554 C ALA A 39 4.822 -1.933 -6.969 1.00 0.00 C ATOM 555 O ALA A 39 3.786 -1.292 -7.146 1.00 0.00 O ATOM 556 CB ALA A 39 6.156 -1.786 -4.810 1.00 0.00 C ATOM 0 H ALA A 39 6.524 -4.117 -5.455 1.00 0.00 H new ATOM 0 HA ALA A 39 4.191 -2.567 -5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.803 -0.766 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.308 -2.265 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.099 -1.766 -5.357 1.00 0.00 H new ATOM 562 N SER A 40 5.750 -2.128 -7.894 1.00 0.00 N ATOM 563 CA SER A 40 5.602 -1.579 -9.231 1.00 0.00 C ATOM 564 C SER A 40 4.272 -2.030 -9.838 1.00 0.00 C ATOM 565 O SER A 40 3.490 -1.206 -10.310 1.00 0.00 O ATOM 566 CB SER A 40 6.766 -1.998 -10.131 1.00 0.00 C ATOM 567 OG SER A 40 7.795 -1.013 -10.167 1.00 0.00 O ATOM 0 H SER A 40 6.608 -2.659 -7.744 1.00 0.00 H new ATOM 0 HA SER A 40 5.610 -0.492 -9.157 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.179 -2.941 -9.773 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.398 -2.174 -11.142 1.00 0.00 H new ATOM 0 HG SER A 40 8.520 -1.319 -10.751 1.00 0.00 H new ATOM 573 N ASP A 41 4.057 -3.337 -9.807 1.00 0.00 N ATOM 574 CA ASP A 41 2.836 -3.907 -10.348 1.00 0.00 C ATOM 575 C ASP A 41 1.631 -3.153 -9.781 1.00 0.00 C ATOM 576 O ASP A 41 0.741 -2.747 -10.527 1.00 0.00 O ATOM 577 CB ASP A 41 2.697 -5.381 -9.961 1.00 0.00 C ATOM 578 CG ASP A 41 2.532 -6.346 -11.136 1.00 0.00 C ATOM 579 OD1 ASP A 41 3.575 -6.719 -11.715 1.00 0.00 O ATOM 580 OD2 ASP A 41 1.366 -6.688 -11.430 1.00 0.00 O ATOM 0 H ASP A 41 4.708 -4.017 -9.415 1.00 0.00 H new ATOM 0 HA ASP A 41 2.877 -3.822 -11.434 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.577 -5.675 -9.390 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.837 -5.488 -9.299 1.00 0.00 H new ATOM 585 N ILE A 42 1.641 -2.990 -8.467 1.00 0.00 N ATOM 586 CA ILE A 42 0.560 -2.292 -7.791 1.00 0.00 C ATOM 587 C ILE A 42 0.438 -0.877 -8.360 1.00 0.00 C ATOM 588 O ILE A 42 -0.509 -0.576 -9.085 1.00 0.00 O ATOM 589 CB ILE A 42 0.763 -2.330 -6.275 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.767 -3.770 -5.758 1.00 0.00 C ATOM 591 CG2 ILE A 42 -0.279 -1.467 -5.560 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.117 -3.816 -4.269 1.00 0.00 C ATOM 0 H ILE A 42 2.380 -3.329 -7.852 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.391 -2.793 -7.975 1.00 0.00 H new ATOM 0 HB ILE A 42 1.741 -1.905 -6.051 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.212 -4.221 -5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.487 -4.361 -6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.112 -1.512 -4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.190 -0.435 -5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.278 -1.839 -5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.113 -4.851 -3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.107 -3.386 -4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.381 -3.244 -3.704 1.00 0.00 H new ATOM 604 N ALA A 43 1.409 -0.047 -8.010 1.00 0.00 N ATOM 605 CA ALA A 43 1.422 1.329 -8.477 1.00 0.00 C ATOM 606 C ALA A 43 0.965 1.372 -9.937 1.00 0.00 C ATOM 607 O ALA A 43 -0.057 1.978 -10.254 1.00 0.00 O ATOM 608 CB ALA A 43 2.820 1.920 -8.287 1.00 0.00 C ATOM 0 H ALA A 43 2.193 -0.301 -7.408 1.00 0.00 H new ATOM 0 HA ALA A 43 0.729 1.938 -7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.829 2.952 -8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.086 1.893 -7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.542 1.336 -8.858 1.00 0.00 H new ATOM 614 N LYS A 44 1.744 0.720 -10.787 1.00 0.00 N ATOM 615 CA LYS A 44 1.432 0.676 -12.206 1.00 0.00 C ATOM 616 C LYS A 44 -0.040 0.302 -12.388 1.00 0.00 C ATOM 617 O LYS A 44 -0.802 1.046 -13.004 1.00 0.00 O ATOM 618 CB LYS A 44 2.399 -0.257 -12.938 1.00 0.00 C ATOM 619 CG LYS A 44 2.105 -0.282 -14.439 1.00 0.00 C ATOM 620 CD LYS A 44 3.190 0.459 -15.223 1.00 0.00 C ATOM 621 CE LYS A 44 3.473 -0.233 -16.558 1.00 0.00 C ATOM 622 NZ LYS A 44 4.525 0.491 -17.305 1.00 0.00 N ATOM 0 H LYS A 44 2.591 0.218 -10.521 1.00 0.00 H new ATOM 0 HA LYS A 44 1.570 1.658 -12.658 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.425 0.072 -12.770 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.316 -1.265 -12.531 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.043 -1.314 -14.784 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.135 0.177 -14.631 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.876 1.487 -15.402 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.105 0.503 -14.632 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.787 -1.262 -16.382 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.561 -0.276 -17.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.704 0.008 -18.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.211 1.465 -17.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.400 0.510 -16.743 1.00 0.00 H new ATOM 636 N HIS A 45 -0.397 -0.852 -11.842 1.00 0.00 N ATOM 637 CA HIS A 45 -1.764 -1.334 -11.937 1.00 0.00 C ATOM 638 C HIS A 45 -2.732 -0.203 -11.584 1.00 0.00 C ATOM 639 O HIS A 45 -3.541 0.209 -12.414 1.00 0.00 O ATOM 640 CB HIS A 45 -1.963 -2.578 -11.069 1.00 0.00 C ATOM 641 CG HIS A 45 -3.400 -3.029 -10.963 1.00 0.00 C ATOM 642 ND1 HIS A 45 -3.994 -3.865 -11.892 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.354 -2.753 -10.028 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.249 -4.075 -11.524 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.471 -3.385 -10.369 1.00 0.00 N ATOM 0 H HIS A 45 0.237 -1.467 -11.332 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.976 -1.640 -12.962 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.366 -3.393 -11.478 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.582 -2.375 -10.068 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.542 -4.254 -12.720 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.223 -2.127 -9.158 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.970 -4.686 -12.047 1.00 0.00 H new ATOM 997 N LEU A 67 5.526 3.466 -3.371 1.00 0.00 N ATOM 998 CA LEU A 67 4.285 3.245 -2.649 1.00 0.00 C ATOM 999 C LEU A 67 4.531 3.437 -1.151 1.00 0.00 C ATOM 1000 O LEU A 67 5.446 2.839 -0.587 1.00 0.00 O ATOM 1001 CB LEU A 67 3.693 1.880 -3.006 1.00 0.00 C ATOM 1002 CG LEU A 67 3.301 0.990 -1.825 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.087 1.560 -1.088 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.070 -0.453 -2.279 1.00 0.00 C ATOM 0 HA LEU A 67 3.535 3.978 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.810 2.040 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.417 1.341 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 67 4.130 0.976 -1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.829 0.908 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.324 2.555 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.242 1.623 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.793 -1.065 -1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.268 -0.478 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.985 -0.845 -2.724 1.00 0.00 H new ATOM 1016 N ILE A 68 3.697 4.273 -0.549 1.00 0.00 N ATOM 1017 CA ILE A 68 3.813 4.550 0.872 1.00 0.00 C ATOM 1018 C ILE A 68 2.947 3.560 1.653 1.00 0.00 C ATOM 1019 O ILE A 68 1.829 3.250 1.243 1.00 0.00 O ATOM 1020 CB ILE A 68 3.482 6.016 1.161 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.600 6.937 0.667 1.00 0.00 C ATOM 1022 CG2 ILE A 68 3.178 6.228 2.645 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.118 7.812 -0.492 1.00 0.00 C ATOM 0 H ILE A 68 2.939 4.767 -1.020 1.00 0.00 H new ATOM 0 HA ILE A 68 4.841 4.407 1.205 1.00 0.00 H new ATOM 0 HB ILE A 68 2.580 6.278 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.944 7.569 1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.453 6.339 0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.946 7.278 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.324 5.614 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.047 5.943 3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.932 8.457 -0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.798 7.177 -1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.281 8.426 -0.161 1.00 0.00 H new ATOM 1035 N TYR A 69 3.495 3.091 2.764 1.00 0.00 N ATOM 1036 CA TYR A 69 2.787 2.141 3.606 1.00 0.00 C ATOM 1037 C TYR A 69 2.996 2.460 5.087 1.00 0.00 C ATOM 1038 O TYR A 69 4.125 2.444 5.576 1.00 0.00 O ATOM 1039 CB TYR A 69 3.394 0.771 3.300 1.00 0.00 C ATOM 1040 CG TYR A 69 2.840 -0.362 4.165 1.00 0.00 C ATOM 1041 CD1 TYR A 69 1.477 -0.554 4.261 1.00 0.00 C ATOM 1042 CD2 TYR A 69 3.704 -1.193 4.850 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.956 -1.621 5.076 1.00 0.00 C ATOM 1044 CE2 TYR A 69 3.183 -2.260 5.665 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.834 -2.421 5.738 1.00 0.00 C ATOM 1046 OH TYR A 69 1.342 -3.429 6.507 1.00 0.00 O ATOM 0 H TYR A 69 4.422 3.351 3.101 1.00 0.00 H new ATOM 0 HA TYR A 69 1.716 2.176 3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.218 0.533 2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.474 0.825 3.438 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.801 0.096 3.725 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.771 -1.043 4.775 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.109 -1.782 5.160 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.848 -2.917 6.206 1.00 0.00 H new ATOM 0 HH TYR A 69 2.084 -3.918 6.919 1.00 0.00 H new ATOM 1056 N GLN A 70 1.890 2.741 5.761 1.00 0.00 N ATOM 1057 CA GLN A 70 1.939 3.062 7.178 1.00 0.00 C ATOM 1058 C GLN A 70 2.817 4.293 7.413 1.00 0.00 C ATOM 1059 O GLN A 70 3.424 4.433 8.474 1.00 0.00 O ATOM 1060 CB GLN A 70 2.437 1.868 7.994 1.00 0.00 C ATOM 1061 CG GLN A 70 1.296 0.896 8.297 1.00 0.00 C ATOM 1062 CD GLN A 70 1.181 0.637 9.801 1.00 0.00 C ATOM 1063 OE1 GLN A 70 2.142 0.308 10.476 1.00 0.00 O ATOM 1064 NE2 GLN A 70 -0.046 0.805 10.286 1.00 0.00 N ATOM 0 H GLN A 70 0.955 2.753 5.353 1.00 0.00 H new ATOM 0 HA GLN A 70 0.928 3.292 7.514 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.224 1.351 7.445 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.878 2.219 8.927 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.357 1.303 7.922 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.467 -0.045 7.774 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.806 1.082 9.665 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.227 0.657 11.279 1.00 0.00 H new ATOM 1073 N GLY A 71 2.856 5.153 6.406 1.00 0.00 N ATOM 1074 CA GLY A 71 3.650 6.368 6.490 1.00 0.00 C ATOM 1075 C GLY A 71 5.009 6.182 5.813 1.00 0.00 C ATOM 1076 O GLY A 71 5.545 7.118 5.222 1.00 0.00 O ATOM 0 H GLY A 71 2.351 5.033 5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.114 7.191 6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.795 6.641 7.535 1.00 0.00 H new ATOM 1080 N ARG A 72 5.528 4.968 5.922 1.00 0.00 N ATOM 1081 CA ARG A 72 6.815 4.647 5.328 1.00 0.00 C ATOM 1082 C ARG A 72 6.650 4.343 3.838 1.00 0.00 C ATOM 1083 O ARG A 72 5.551 4.451 3.296 1.00 0.00 O ATOM 1084 CB ARG A 72 7.457 3.443 6.020 1.00 0.00 C ATOM 1085 CG ARG A 72 8.511 3.891 7.034 1.00 0.00 C ATOM 1086 CD ARG A 72 9.511 2.769 7.317 1.00 0.00 C ATOM 1087 NE ARG A 72 10.883 3.319 7.390 1.00 0.00 N ATOM 1088 CZ ARG A 72 11.995 2.573 7.345 1.00 0.00 C ATOM 1089 NH1 ARG A 72 11.905 1.242 7.227 1.00 0.00 N ATOM 1090 NH2 ARG A 72 13.198 3.159 7.418 1.00 0.00 N ATOM 0 H ARG A 72 5.080 4.194 6.413 1.00 0.00 H new ATOM 0 HA ARG A 72 7.465 5.513 5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.689 2.856 6.524 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.917 2.793 5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.038 4.766 6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.024 4.191 7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.259 2.274 8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.454 2.014 6.533 1.00 0.00 H new ATOM 0 HE ARG A 72 10.989 4.329 7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.990 0.796 7.171 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.752 0.675 7.193 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.267 4.173 7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.045 2.591 7.384 1.00 0.00 H new ATOM 1104 N PHE A 73 7.759 3.967 3.217 1.00 0.00 N ATOM 1105 CA PHE A 73 7.751 3.646 1.800 1.00 0.00 C ATOM 1106 C PHE A 73 8.212 2.207 1.561 1.00 0.00 C ATOM 1107 O PHE A 73 9.169 1.747 2.182 1.00 0.00 O ATOM 1108 CB PHE A 73 8.732 4.603 1.119 1.00 0.00 C ATOM 1109 CG PHE A 73 8.274 6.063 1.113 1.00 0.00 C ATOM 1110 CD1 PHE A 73 8.345 6.802 2.252 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.796 6.621 -0.031 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.921 8.157 2.246 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.371 7.976 -0.037 1.00 0.00 C ATOM 1114 CZ PHE A 73 7.443 8.715 1.102 1.00 0.00 C ATOM 0 H PHE A 73 8.669 3.878 3.669 1.00 0.00 H new ATOM 0 HA PHE A 73 6.741 3.746 1.402 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.696 4.537 1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.887 4.277 0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.724 6.358 3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.740 6.034 -0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.978 8.745 3.150 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.991 8.419 -0.946 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.120 9.746 1.098 1.00 0.00 H new ATOM 1124 N LEU A 74 7.509 1.536 0.660 1.00 0.00 N ATOM 1125 CA LEU A 74 7.834 0.158 0.332 1.00 0.00 C ATOM 1126 C LEU A 74 8.738 0.132 -0.902 1.00 0.00 C ATOM 1127 O LEU A 74 8.619 0.985 -1.781 1.00 0.00 O ATOM 1128 CB LEU A 74 6.558 -0.671 0.178 1.00 0.00 C ATOM 1129 CG LEU A 74 5.740 -0.887 1.453 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.484 -1.711 1.165 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.597 -1.514 2.555 1.00 0.00 C ATOM 0 H LEU A 74 6.716 1.921 0.147 1.00 0.00 H new ATOM 0 HA LEU A 74 8.391 -0.306 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.920 -0.186 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.829 -1.647 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 74 5.410 0.086 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.921 -1.850 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.864 -1.187 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.771 -2.684 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.991 -1.657 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.977 -2.478 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.434 -0.855 2.785 1.00 0.00 H new ATOM 1143 N HIS A 75 9.620 -0.856 -0.930 1.00 0.00 N ATOM 1144 CA HIS A 75 10.543 -1.004 -2.042 1.00 0.00 C ATOM 1145 C HIS A 75 9.770 -1.404 -3.300 1.00 0.00 C ATOM 1146 O HIS A 75 8.641 -1.883 -3.213 1.00 0.00 O ATOM 1147 CB HIS A 75 11.660 -1.990 -1.693 1.00 0.00 C ATOM 1148 CG HIS A 75 13.037 -1.529 -2.108 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.716 -2.071 -3.185 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.854 -0.573 -1.580 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.888 -1.462 -3.291 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.971 -0.534 -2.295 1.00 0.00 N ATOM 0 H HIS A 75 9.715 -1.562 -0.200 1.00 0.00 H new ATOM 0 HA HIS A 75 11.030 -0.050 -2.245 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.655 -2.163 -0.617 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.449 -2.947 -2.171 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.630 0.047 -0.725 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.644 -1.665 -4.035 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.762 0.088 -2.127 1.00 0.00 H new ATOM 1160 N GLY A 76 10.410 -1.194 -4.441 1.00 0.00 N ATOM 1161 CA GLY A 76 9.797 -1.527 -5.716 1.00 0.00 C ATOM 1162 C GLY A 76 9.866 -3.032 -5.981 1.00 0.00 C ATOM 1163 O GLY A 76 9.030 -3.578 -6.699 1.00 0.00 O ATOM 0 H GLY A 76 11.347 -0.797 -4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.757 -1.201 -5.720 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.303 -0.989 -6.518 1.00 0.00 H new ATOM 1167 N ASN A 77 10.870 -3.660 -5.386 1.00 0.00 N ATOM 1168 CA ASN A 77 11.059 -5.091 -5.549 1.00 0.00 C ATOM 1169 C ASN A 77 10.201 -5.834 -4.523 1.00 0.00 C ATOM 1170 O ASN A 77 9.800 -6.974 -4.752 1.00 0.00 O ATOM 1171 CB ASN A 77 12.519 -5.484 -5.317 1.00 0.00 C ATOM 1172 CG ASN A 77 13.083 -6.237 -6.524 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.418 -7.047 -7.149 1.00 0.00 O ATOM 1174 ND2 ASN A 77 14.342 -5.925 -6.816 1.00 0.00 N ATOM 0 H ASN A 77 11.561 -3.204 -4.790 1.00 0.00 H new ATOM 0 HA ASN A 77 10.772 -5.355 -6.567 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.115 -4.590 -5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.594 -6.108 -4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.809 -6.373 -7.605 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.841 -5.238 -6.251 1.00 0.00 H new ATOM 1181 N VAL A 78 9.944 -5.158 -3.413 1.00 0.00 N ATOM 1182 CA VAL A 78 9.141 -5.740 -2.351 1.00 0.00 C ATOM 1183 C VAL A 78 7.863 -6.332 -2.949 1.00 0.00 C ATOM 1184 O VAL A 78 7.383 -5.865 -3.981 1.00 0.00 O ATOM 1185 CB VAL A 78 8.865 -4.693 -1.269 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.645 -5.079 -0.431 1.00 0.00 C ATOM 1187 CG2 VAL A 78 10.095 -4.483 -0.384 1.00 0.00 C ATOM 0 H VAL A 78 10.278 -4.212 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 78 9.681 -6.554 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 78 8.644 -3.748 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.471 -4.318 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.769 -5.154 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.824 -6.040 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.873 -3.734 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.360 -5.423 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.930 -4.141 -0.996 1.00 0.00 H new ATOM 1197 N THR A 79 7.349 -7.351 -2.276 1.00 0.00 N ATOM 1198 CA THR A 79 6.137 -8.011 -2.729 1.00 0.00 C ATOM 1199 C THR A 79 5.232 -8.338 -1.539 1.00 0.00 C ATOM 1200 O THR A 79 5.715 -8.705 -0.469 1.00 0.00 O ATOM 1201 CB THR A 79 6.544 -9.243 -3.539 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.051 -10.149 -2.563 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.739 -8.973 -4.455 1.00 0.00 C ATOM 0 H THR A 79 7.750 -7.735 -1.421 1.00 0.00 H new ATOM 0 HA THR A 79 5.549 -7.359 -3.375 1.00 0.00 H new ATOM 0 HB THR A 79 5.697 -9.579 -4.137 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.337 -10.977 -3.002 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.987 -9.880 -5.007 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.487 -8.178 -5.157 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.596 -8.668 -3.855 1.00 0.00 H new ATOM 1211 N LEU A 80 3.934 -8.194 -1.766 1.00 0.00 N ATOM 1212 CA LEU A 80 2.958 -8.469 -0.726 1.00 0.00 C ATOM 1213 C LEU A 80 3.333 -9.769 -0.012 1.00 0.00 C ATOM 1214 O LEU A 80 3.014 -9.951 1.162 1.00 0.00 O ATOM 1215 CB LEU A 80 1.543 -8.474 -1.308 1.00 0.00 C ATOM 1216 CG LEU A 80 0.917 -7.100 -1.561 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.447 -7.236 -2.240 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.835 -6.289 -0.267 1.00 0.00 C ATOM 0 H LEU A 80 3.536 -7.890 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 80 2.967 -7.678 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.561 -9.022 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.894 -9.028 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 80 1.564 -6.550 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.870 -6.246 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.328 -7.747 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.116 -7.812 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.387 -5.317 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.223 -6.824 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.837 -6.147 0.138 1.00 0.00 H new ATOM 1230 N GLY A 81 4.004 -10.641 -0.750 1.00 0.00 N ATOM 1231 CA GLY A 81 4.426 -11.918 -0.202 1.00 0.00 C ATOM 1232 C GLY A 81 5.441 -11.723 0.926 1.00 0.00 C ATOM 1233 O GLY A 81 5.354 -12.376 1.964 1.00 0.00 O ATOM 0 H GLY A 81 4.266 -10.488 -1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.559 -12.461 0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.866 -12.528 -0.991 1.00 0.00 H new ATOM 1237 N ALA A 82 6.381 -10.821 0.683 1.00 0.00 N ATOM 1238 CA ALA A 82 7.412 -10.531 1.665 1.00 0.00 C ATOM 1239 C ALA A 82 6.780 -9.832 2.870 1.00 0.00 C ATOM 1240 O ALA A 82 7.276 -9.947 3.990 1.00 0.00 O ATOM 1241 CB ALA A 82 8.513 -9.691 1.016 1.00 0.00 C ATOM 0 H ALA A 82 6.450 -10.281 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 82 7.872 -11.452 2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.286 -9.473 1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.949 -10.243 0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.089 -8.757 0.648 1.00 0.00 H new ATOM 1247 N LEU A 83 5.693 -9.123 2.601 1.00 0.00 N ATOM 1248 CA LEU A 83 4.988 -8.406 3.649 1.00 0.00 C ATOM 1249 C LEU A 83 4.070 -9.376 4.396 1.00 0.00 C ATOM 1250 O LEU A 83 3.360 -8.979 5.319 1.00 0.00 O ATOM 1251 CB LEU A 83 4.260 -7.192 3.071 1.00 0.00 C ATOM 1252 CG LEU A 83 5.102 -6.254 2.203 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.260 -5.092 1.673 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.338 -5.767 2.963 1.00 0.00 C ATOM 0 H LEU A 83 5.284 -9.030 1.671 1.00 0.00 H new ATOM 0 HA LEU A 83 5.693 -8.008 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.419 -7.547 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.845 -6.615 3.897 1.00 0.00 H new ATOM 0 HG LEU A 83 5.455 -6.815 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.883 -4.441 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.440 -5.482 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.856 -4.523 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.919 -5.102 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.026 -5.229 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.950 -6.623 3.249 1.00 0.00 H new ATOM 1266 N LYS A 84 4.113 -10.630 3.969 1.00 0.00 N ATOM 1267 CA LYS A 84 3.294 -11.659 4.585 1.00 0.00 C ATOM 1268 C LYS A 84 1.980 -11.040 5.065 1.00 0.00 C ATOM 1269 O LYS A 84 1.497 -11.361 6.150 1.00 0.00 O ATOM 1270 CB LYS A 84 4.075 -12.376 5.689 1.00 0.00 C ATOM 1271 CG LYS A 84 4.690 -11.372 6.665 1.00 0.00 C ATOM 1272 CD LYS A 84 3.641 -10.849 7.649 1.00 0.00 C ATOM 1273 CE LYS A 84 4.304 -10.211 8.871 1.00 0.00 C ATOM 1274 NZ LYS A 84 3.287 -9.856 9.886 1.00 0.00 N ATOM 0 H LYS A 84 4.703 -10.956 3.203 1.00 0.00 H new ATOM 0 HA LYS A 84 3.037 -12.428 3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.412 -13.053 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.862 -12.986 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.504 -11.845 7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.121 -10.538 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.005 -10.116 7.152 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.996 -11.668 7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.030 -10.902 9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.853 -9.319 8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.754 -9.424 10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.610 -9.180 9.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.781 -10.714 10.186 1.00 0.00 H new ATOM 1288 N LEU A 85 1.437 -10.163 4.232 1.00 0.00 N ATOM 1289 CA LEU A 85 0.188 -9.496 4.558 1.00 0.00 C ATOM 1290 C LEU A 85 -0.933 -10.533 4.638 1.00 0.00 C ATOM 1291 O LEU A 85 -0.878 -11.566 3.971 1.00 0.00 O ATOM 1292 CB LEU A 85 -0.090 -8.365 3.565 1.00 0.00 C ATOM 1293 CG LEU A 85 -0.131 -6.953 4.152 1.00 0.00 C ATOM 1294 CD1 LEU A 85 0.948 -6.772 5.222 1.00 0.00 C ATOM 1295 CD2 LEU A 85 -0.027 -5.898 3.049 1.00 0.00 C ATOM 0 H LEU A 85 1.839 -9.899 3.333 1.00 0.00 H new ATOM 0 HA LEU A 85 0.254 -9.021 5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.675 -8.393 2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.045 -8.562 3.078 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.095 -6.814 4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.897 -5.760 5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.787 -7.489 6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.930 -6.938 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.059 -4.903 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.912 -6.026 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.861 -6.013 2.356 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.952 -10.215 5.481 1.00 0.00 N ATOM 1308 CA PRO A 86 -3.084 -11.108 5.657 1.00 0.00 C ATOM 1309 C PRO A 86 -4.021 -11.050 4.449 1.00 0.00 C ATOM 1310 O PRO A 86 -4.312 -9.970 3.936 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.749 -10.651 6.946 1.00 0.00 C ATOM 1312 CG PRO A 86 -3.245 -9.239 7.197 1.00 0.00 C ATOM 1313 CD PRO A 86 -2.051 -9.002 6.287 1.00 0.00 C ATOM 0 HA PRO A 86 -2.787 -12.154 5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.835 -10.667 6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.491 -11.311 7.774 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -4.031 -8.511 6.993 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.959 -9.116 8.242 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -2.199 -8.122 5.661 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.141 -8.834 6.863 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.468 -12.225 4.030 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.365 -12.321 2.891 1.00 0.00 C ATOM 1323 C PHE A 87 -6.786 -11.903 3.276 1.00 0.00 C ATOM 1324 O PHE A 87 -7.086 -11.724 4.455 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.378 -13.788 2.455 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.035 -14.290 1.921 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.249 -13.468 1.176 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.628 -15.559 2.192 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -2.003 -13.934 0.681 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.382 -16.026 1.697 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.595 -15.203 0.952 1.00 0.00 C ATOM 0 H PHE A 87 -4.226 -13.118 4.459 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.025 -11.662 2.092 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.674 -14.406 3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.137 -13.920 1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.573 -12.460 0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.253 -16.212 2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.379 -13.281 0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.059 -17.034 1.912 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.647 -15.557 0.576 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.622 -11.760 2.259 1.00 0.00 N ATOM 1342 CA GLY A 88 -9.004 -11.367 2.476 1.00 0.00 C ATOM 1343 C GLY A 88 -9.097 -10.228 3.494 1.00 0.00 C ATOM 1344 O GLY A 88 -9.942 -10.256 4.387 1.00 0.00 O ATOM 0 H GLY A 88 -7.369 -11.909 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.449 -11.053 1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.578 -12.223 2.830 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.215 -9.253 3.325 1.00 0.00 N ATOM 1349 CA LYS A 89 -8.187 -8.107 4.217 1.00 0.00 C ATOM 1350 C LYS A 89 -8.024 -6.828 3.393 1.00 0.00 C ATOM 1351 O LYS A 89 -7.896 -6.885 2.171 1.00 0.00 O ATOM 1352 CB LYS A 89 -7.110 -8.289 5.289 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.619 -9.169 6.433 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.719 -8.371 7.735 1.00 0.00 C ATOM 1355 CE LYS A 89 -9.003 -8.715 8.492 1.00 0.00 C ATOM 1356 NZ LYS A 89 -9.077 -7.956 9.760 1.00 0.00 N ATOM 0 H LYS A 89 -7.515 -9.234 2.584 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.130 -8.021 4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.223 -8.740 4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.812 -7.316 5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.597 -9.577 6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.947 -10.016 6.572 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.854 -8.584 8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.698 -7.304 7.514 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.870 -8.485 7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.034 -9.785 8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.955 -8.202 10.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.259 -8.196 10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.069 -6.936 9.555 1.00 0.00 H new ATOM 1370 N THR A 90 -8.034 -5.705 4.096 1.00 0.00 N ATOM 1371 CA THR A 90 -7.889 -4.414 3.444 1.00 0.00 C ATOM 1372 C THR A 90 -6.717 -3.639 4.051 1.00 0.00 C ATOM 1373 O THR A 90 -6.706 -3.362 5.249 1.00 0.00 O ATOM 1374 CB THR A 90 -9.225 -3.677 3.552 1.00 0.00 C ATOM 1375 OG1 THR A 90 -10.175 -4.603 3.032 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.313 -2.481 2.603 1.00 0.00 C ATOM 0 H THR A 90 -8.140 -5.662 5.110 1.00 0.00 H new ATOM 0 HA THR A 90 -7.650 -4.529 2.387 1.00 0.00 H new ATOM 0 HB THR A 90 -9.370 -3.337 4.578 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.071 -4.207 3.066 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.281 -1.994 2.720 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.519 -1.772 2.837 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.202 -2.824 1.574 1.00 0.00 H new ATOM 1384 N THR A 91 -5.760 -3.311 3.196 1.00 0.00 N ATOM 1385 CA THR A 91 -4.587 -2.573 3.632 1.00 0.00 C ATOM 1386 C THR A 91 -4.683 -1.111 3.193 1.00 0.00 C ATOM 1387 O THR A 91 -5.200 -0.814 2.117 1.00 0.00 O ATOM 1388 CB THR A 91 -3.349 -3.290 3.091 1.00 0.00 C ATOM 1389 OG1 THR A 91 -3.210 -4.430 3.935 1.00 0.00 O ATOM 1390 CG2 THR A 91 -2.063 -2.495 3.323 1.00 0.00 C ATOM 0 H THR A 91 -5.773 -3.543 2.203 1.00 0.00 H new ATOM 0 HA THR A 91 -4.517 -2.549 4.719 1.00 0.00 H new ATOM 0 HB THR A 91 -3.474 -3.473 2.024 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.535 -5.034 3.561 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.215 -3.049 2.920 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.137 -1.530 2.822 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.919 -2.339 4.392 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.176 -0.235 4.049 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.197 1.189 3.763 1.00 0.00 C ATOM 1400 C VAL A 92 -2.834 1.616 3.215 1.00 0.00 C ATOM 1401 O VAL A 92 -1.799 1.295 3.798 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.609 1.968 5.014 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.507 3.477 4.779 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -6.019 1.578 5.463 1.00 0.00 C ATOM 0 H VAL A 92 -3.748 -0.485 4.941 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.939 1.413 2.997 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.917 1.706 5.815 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.805 4.007 5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.479 3.737 4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.164 3.763 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.287 2.146 6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.729 1.797 4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.047 0.512 5.690 1.00 0.00 H new ATOM 1414 N MET A 93 -2.877 2.333 2.102 1.00 0.00 N ATOM 1415 CA MET A 93 -1.658 2.807 1.469 1.00 0.00 C ATOM 1416 C MET A 93 -1.920 4.076 0.656 1.00 0.00 C ATOM 1417 O MET A 93 -3.008 4.254 0.110 1.00 0.00 O ATOM 1418 CB MET A 93 -1.103 1.717 0.550 1.00 0.00 C ATOM 1419 CG MET A 93 -0.345 0.657 1.352 1.00 0.00 C ATOM 1420 SD MET A 93 0.334 -0.573 0.251 1.00 0.00 S ATOM 1421 CE MET A 93 1.221 -1.584 1.424 1.00 0.00 C ATOM 0 H MET A 93 -3.737 2.597 1.622 1.00 0.00 H new ATOM 0 HA MET A 93 -0.933 3.041 2.249 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.920 1.248 0.002 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.438 2.163 -0.189 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.455 1.126 1.924 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.015 0.184 2.070 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.574 -2.490 0.930 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.073 -1.027 1.813 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.558 -1.854 2.246 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.905 4.925 0.601 1.00 0.00 N ATOM 1432 CA HIS A 94 -1.011 6.172 -0.137 1.00 0.00 C ATOM 1433 C HIS A 94 -0.271 6.046 -1.469 1.00 0.00 C ATOM 1434 O HIS A 94 0.537 5.136 -1.651 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.515 7.347 0.708 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.583 7.980 1.569 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.179 7.319 2.629 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.153 9.217 1.515 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -3.068 8.132 3.181 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.051 9.308 2.489 1.00 0.00 N ATOM 0 H HIS A 94 -0.005 4.774 1.056 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.058 6.377 -0.362 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.297 7.003 1.349 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.099 8.107 0.046 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.915 9.992 0.801 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.696 7.904 4.030 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -3.632 10.122 2.687 1.00 0.00 H new