USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 667 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 81 SER OG : rot -37:sc= 0.0637 USER MOD Set 1.2: A 82 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -1.72 X(o=-1.7,f=-1.4) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.94! K(o=-2.9!,f=-1.4) USER MOD Single : A 35 GLN : amide:sc= -4.11! K(o=-4.1!,f=-1) USER MOD Single : A 36 MET CE :methyl -179:sc= -1.22 (180deg=-1.24) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.735 K(o=-0.73,f=-1.8) USER MOD Single : A 42 THR OG1 : rot -82:sc= 1.23 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 160:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= -0.0528 (180deg=-0.344) USER MOD Single : A 65 ASN : amide:sc= -3.32! K(o=-3.3!,f=-0.45) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= -0.0211 (180deg=-0.181) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -155:sc= -0.784 (180deg=-0.979) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.55! C(o=-1.5!,f=-2.3!) USER MOD Single : A 84 GLN : amide:sc= -1.39! K(o=-1.4!,f=-0.051) USER MOD Single : A 86 HIS : no HD1:sc= 0.0445 K(o=0.045,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 10 1.274 -11.857 -7.342 1.00 0.00 N ATOM 115 CA VAL A 10 0.050 -11.195 -6.945 1.00 0.00 C ATOM 116 C VAL A 10 0.301 -9.703 -6.821 1.00 0.00 C ATOM 117 O VAL A 10 1.124 -9.265 -6.016 1.00 0.00 O ATOM 118 CB VAL A 10 -0.482 -11.741 -5.603 1.00 0.00 C ATOM 119 CG1 VAL A 10 -1.806 -11.084 -5.236 1.00 0.00 C ATOM 120 CG2 VAL A 10 -0.634 -13.253 -5.665 1.00 0.00 C ATOM 0 HA VAL A 10 -0.703 -11.389 -7.709 1.00 0.00 H new ATOM 0 HB VAL A 10 0.243 -11.498 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.160 -11.485 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.665 -10.007 -5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.542 -11.289 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.010 -13.620 -4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.336 -13.516 -6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.335 -13.708 -5.873 1.00 0.00 H new ATOM 130 N ASP A 11 -0.400 -8.937 -7.637 1.00 0.00 N ATOM 131 CA ASP A 11 -0.227 -7.496 -7.667 1.00 0.00 C ATOM 132 C ASP A 11 -1.396 -6.820 -6.971 1.00 0.00 C ATOM 133 O ASP A 11 -2.550 -6.964 -7.382 1.00 0.00 O ATOM 134 CB ASP A 11 -0.114 -7.020 -9.121 1.00 0.00 C ATOM 135 CG ASP A 11 0.183 -5.540 -9.244 1.00 0.00 C ATOM 136 OD1 ASP A 11 1.287 -5.120 -8.848 1.00 0.00 O ATOM 137 OD2 ASP A 11 -0.667 -4.801 -9.785 1.00 0.00 O ATOM 0 H ASP A 11 -1.098 -9.291 -8.291 1.00 0.00 H new ATOM 0 HA ASP A 11 0.689 -7.229 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.673 -7.584 -9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.045 -7.241 -9.642 1.00 0.00 H new ATOM 142 N VAL A 12 -1.095 -6.101 -5.904 1.00 0.00 N ATOM 143 CA VAL A 12 -2.114 -5.423 -5.122 1.00 0.00 C ATOM 144 C VAL A 12 -2.050 -3.924 -5.364 1.00 0.00 C ATOM 145 O VAL A 12 -1.022 -3.298 -5.120 1.00 0.00 O ATOM 146 CB VAL A 12 -1.943 -5.710 -3.613 1.00 0.00 C ATOM 147 CG1 VAL A 12 -2.950 -4.920 -2.792 1.00 0.00 C ATOM 148 CG2 VAL A 12 -2.079 -7.199 -3.333 1.00 0.00 C ATOM 0 H VAL A 12 -0.145 -5.971 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.085 -5.803 -5.439 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.942 -5.392 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.809 -5.140 -1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.803 -3.854 -2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.961 -5.200 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.956 -7.381 -2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.065 -7.540 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.314 -7.744 -3.885 1.00 0.00 H new ATOM 158 N GLU A 13 -3.142 -3.349 -5.838 1.00 0.00 N ATOM 159 CA GLU A 13 -3.178 -1.931 -6.115 1.00 0.00 C ATOM 160 C GLU A 13 -3.830 -1.197 -4.960 1.00 0.00 C ATOM 161 O GLU A 13 -4.989 -1.450 -4.619 1.00 0.00 O ATOM 162 CB GLU A 13 -3.933 -1.636 -7.418 1.00 0.00 C ATOM 163 CG GLU A 13 -5.330 -2.235 -7.471 1.00 0.00 C ATOM 164 CD GLU A 13 -6.276 -1.448 -8.355 1.00 0.00 C ATOM 165 OE1 GLU A 13 -6.222 -1.615 -9.590 1.00 0.00 O ATOM 166 OE2 GLU A 13 -7.082 -0.661 -7.812 1.00 0.00 O ATOM 0 H GLU A 13 -4.011 -3.844 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.152 -1.583 -6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.006 -0.556 -7.547 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.352 -2.019 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.267 -3.260 -7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.738 -2.282 -6.461 1.00 0.00 H new ATOM 173 N ILE A 14 -3.081 -0.316 -4.333 1.00 0.00 N ATOM 174 CA ILE A 14 -3.648 0.561 -3.335 1.00 0.00 C ATOM 175 C ILE A 14 -3.565 1.989 -3.849 1.00 0.00 C ATOM 176 O ILE A 14 -2.603 2.348 -4.524 1.00 0.00 O ATOM 177 CB ILE A 14 -2.929 0.469 -1.966 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.861 -0.989 -1.483 1.00 0.00 C ATOM 179 CG2 ILE A 14 -3.649 1.334 -0.938 1.00 0.00 C ATOM 180 CD1 ILE A 14 -2.252 -1.158 -0.098 1.00 0.00 C ATOM 0 H ILE A 14 -2.082 -0.189 -4.496 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.680 0.252 -3.170 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.910 0.836 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.868 -1.406 -1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.278 -1.570 -2.198 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.136 1.263 0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.650 2.371 -1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.676 0.987 -0.826 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.241 -2.215 0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.232 -0.773 -0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.846 -0.607 0.631 1.00 0.00 H new ATOM 192 N HIS A 15 -4.571 2.790 -3.566 1.00 0.00 N ATOM 193 CA HIS A 15 -4.570 4.176 -4.000 1.00 0.00 C ATOM 194 C HIS A 15 -4.750 5.093 -2.806 1.00 0.00 C ATOM 195 O HIS A 15 -5.690 4.934 -2.033 1.00 0.00 O ATOM 196 CB HIS A 15 -5.667 4.425 -5.038 1.00 0.00 C ATOM 197 CG HIS A 15 -5.422 3.741 -6.348 1.00 0.00 C ATOM 198 ND1 HIS A 15 -6.024 2.555 -6.703 1.00 0.00 N ATOM 199 CD2 HIS A 15 -4.630 4.082 -7.391 1.00 0.00 C ATOM 200 CE1 HIS A 15 -5.610 2.194 -7.903 1.00 0.00 C ATOM 201 NE2 HIS A 15 -4.765 3.103 -8.345 1.00 0.00 N ATOM 0 H HIS A 15 -5.398 2.509 -3.039 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.610 4.391 -4.469 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.621 4.086 -4.634 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.756 5.498 -5.209 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -6.687 2.036 -6.128 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.007 4.961 -7.460 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -5.913 1.303 -8.433 1.00 0.00 H new ATOM 210 N PHE A 16 -3.831 6.027 -2.644 1.00 0.00 N ATOM 211 CA PHE A 16 -3.906 6.984 -1.557 1.00 0.00 C ATOM 212 C PHE A 16 -3.919 8.409 -2.092 1.00 0.00 C ATOM 213 O PHE A 16 -3.105 8.769 -2.941 1.00 0.00 O ATOM 214 CB PHE A 16 -2.724 6.832 -0.594 1.00 0.00 C ATOM 215 CG PHE A 16 -2.752 5.607 0.283 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.949 5.035 0.685 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.566 5.046 0.724 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.958 3.923 1.505 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.569 3.937 1.546 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.765 3.376 1.937 1.00 0.00 C ATOM 0 H PHE A 16 -3.022 6.143 -3.254 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.833 6.783 -1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.803 6.819 -1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.684 7.714 0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.884 5.463 0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.625 5.482 0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.896 3.482 1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.636 3.510 1.882 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.770 2.509 2.581 1.00 0.00 H new ATOM 230 N PRO A 17 -4.860 9.231 -1.612 1.00 0.00 N ATOM 231 CA PRO A 17 -4.871 10.672 -1.885 1.00 0.00 C ATOM 232 C PRO A 17 -3.600 11.344 -1.368 1.00 0.00 C ATOM 233 O PRO A 17 -3.299 11.292 -0.170 1.00 0.00 O ATOM 234 CB PRO A 17 -6.097 11.175 -1.114 1.00 0.00 C ATOM 235 CG PRO A 17 -6.405 10.099 -0.129 1.00 0.00 C ATOM 236 CD PRO A 17 -6.005 8.820 -0.789 1.00 0.00 C ATOM 0 HA PRO A 17 -4.912 10.895 -2.951 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.887 12.120 -0.613 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.939 11.350 -1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.855 10.249 0.800 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.465 10.093 0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.728 8.057 -0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.812 8.406 -1.394 1.00 0.00 H new ATOM 244 N LEU A 18 -2.878 11.983 -2.287 1.00 0.00 N ATOM 245 CA LEU A 18 -1.558 12.563 -2.024 1.00 0.00 C ATOM 246 C LEU A 18 -1.547 13.474 -0.795 1.00 0.00 C ATOM 247 O LEU A 18 -0.573 13.499 -0.045 1.00 0.00 O ATOM 248 CB LEU A 18 -1.096 13.347 -3.257 1.00 0.00 C ATOM 249 CG LEU A 18 0.320 13.925 -3.188 1.00 0.00 C ATOM 250 CD1 LEU A 18 1.351 12.810 -3.189 1.00 0.00 C ATOM 251 CD2 LEU A 18 0.564 14.877 -4.347 1.00 0.00 C ATOM 0 H LEU A 18 -3.195 12.115 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.874 11.741 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.158 12.691 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.795 14.166 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 18 0.418 14.484 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.352 13.240 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.190 12.165 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.252 12.224 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.575 15.278 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.446 14.341 -5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.154 15.696 -4.303 1.00 0.00 H new ATOM 263 N LYS A 19 -2.626 14.216 -0.592 1.00 0.00 N ATOM 264 CA LYS A 19 -2.711 15.140 0.538 1.00 0.00 C ATOM 265 C LYS A 19 -2.967 14.412 1.854 1.00 0.00 C ATOM 266 O LYS A 19 -2.399 14.762 2.886 1.00 0.00 O ATOM 267 CB LYS A 19 -3.816 16.176 0.319 1.00 0.00 C ATOM 268 CG LYS A 19 -3.490 17.205 -0.749 1.00 0.00 C ATOM 269 CD LYS A 19 -4.538 18.310 -0.801 1.00 0.00 C ATOM 270 CE LYS A 19 -5.884 17.791 -1.251 1.00 0.00 C ATOM 271 NZ LYS A 19 -6.898 18.874 -1.339 1.00 0.00 N ATOM 0 H LYS A 19 -3.453 14.199 -1.189 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.745 15.642 0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.736 15.660 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.009 16.691 1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.511 17.640 -0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.428 16.715 -1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.635 18.764 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.205 19.094 -1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.781 17.311 -2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.229 17.027 -0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.806 18.475 -1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.016 19.315 -0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.582 19.591 -2.023 1.00 0.00 H new ATOM 285 N ARG A 20 -3.804 13.386 1.811 1.00 0.00 N ATOM 286 CA ARG A 20 -4.275 12.736 3.028 1.00 0.00 C ATOM 287 C ARG A 20 -3.261 11.743 3.578 1.00 0.00 C ATOM 288 O ARG A 20 -3.183 11.536 4.786 1.00 0.00 O ATOM 289 CB ARG A 20 -5.618 12.060 2.771 1.00 0.00 C ATOM 290 CG ARG A 20 -6.797 12.996 2.948 1.00 0.00 C ATOM 291 CD ARG A 20 -8.093 12.384 2.440 1.00 0.00 C ATOM 292 NE ARG A 20 -9.253 12.948 3.124 1.00 0.00 N ATOM 293 CZ ARG A 20 -10.375 13.335 2.523 1.00 0.00 C ATOM 294 NH1 ARG A 20 -10.504 13.242 1.205 1.00 0.00 N ATOM 295 NH2 ARG A 20 -11.374 13.819 3.249 1.00 0.00 N ATOM 0 H ARG A 20 -4.171 12.985 0.948 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.404 13.506 3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.629 11.659 1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.728 11.214 3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.904 13.248 4.003 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.603 13.927 2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.182 12.556 1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.070 11.304 2.589 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.199 13.053 4.137 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.738 12.871 0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.369 13.542 0.755 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.279 13.893 4.262 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.237 14.117 2.794 1.00 0.00 H new ATOM 309 N ILE A 21 -2.465 11.140 2.708 1.00 0.00 N ATOM 310 CA ILE A 21 -1.417 10.242 3.175 1.00 0.00 C ATOM 311 C ILE A 21 -0.297 11.057 3.824 1.00 0.00 C ATOM 312 O ILE A 21 0.533 10.534 4.564 1.00 0.00 O ATOM 313 CB ILE A 21 -0.862 9.350 2.042 1.00 0.00 C ATOM 314 CG1 ILE A 21 0.112 8.296 2.595 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.178 10.197 0.973 1.00 0.00 C ATOM 316 CD1 ILE A 21 -0.462 7.453 3.716 1.00 0.00 C ATOM 0 H ILE A 21 -2.521 11.251 1.696 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.854 9.571 3.914 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.703 8.829 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.420 7.639 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.009 8.799 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.205 9.549 0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.897 10.898 0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.647 10.751 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.286 6.734 4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.744 8.098 4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.342 6.920 3.356 1.00 0.00 H new ATOM 328 N ALA A 22 -0.308 12.358 3.559 1.00 0.00 N ATOM 329 CA ALA A 22 0.631 13.283 4.171 1.00 0.00 C ATOM 330 C ALA A 22 -0.018 13.974 5.367 1.00 0.00 C ATOM 331 O ALA A 22 0.374 15.076 5.764 1.00 0.00 O ATOM 332 CB ALA A 22 1.097 14.307 3.149 1.00 0.00 C ATOM 0 H ALA A 22 -0.966 12.798 2.916 1.00 0.00 H new ATOM 0 HA ALA A 22 1.500 12.726 4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.800 14.995 3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.587 13.797 2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.238 14.865 2.775 1.00 0.00 H new ATOM 338 N ALA A 23 -1.022 13.323 5.933 1.00 0.00 N ATOM 339 CA ALA A 23 -1.736 13.852 7.083 1.00 0.00 C ATOM 340 C ALA A 23 -1.550 12.941 8.288 1.00 0.00 C ATOM 341 O ALA A 23 -1.474 11.723 8.146 1.00 0.00 O ATOM 342 CB ALA A 23 -3.214 14.000 6.752 1.00 0.00 C ATOM 0 H ALA A 23 -1.363 12.418 5.610 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.330 14.833 7.329 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.743 14.397 7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.332 14.683 5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.627 13.026 6.489 1.00 0.00 H new ATOM 348 N GLU A 24 -1.461 13.531 9.472 1.00 0.00 N ATOM 349 CA GLU A 24 -1.304 12.754 10.694 1.00 0.00 C ATOM 350 C GLU A 24 -2.664 12.366 11.259 1.00 0.00 C ATOM 351 O GLU A 24 -2.762 11.531 12.155 1.00 0.00 O ATOM 352 CB GLU A 24 -0.457 13.508 11.733 1.00 0.00 C ATOM 353 CG GLU A 24 -0.869 14.957 11.979 1.00 0.00 C ATOM 354 CD GLU A 24 -2.218 15.097 12.656 1.00 0.00 C ATOM 355 OE1 GLU A 24 -2.408 14.530 13.750 1.00 0.00 O ATOM 356 OE2 GLU A 24 -3.097 15.776 12.091 1.00 0.00 O ATOM 0 H GLU A 24 -1.495 14.541 9.612 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.768 11.838 10.447 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.505 12.968 12.679 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.584 13.493 11.410 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.111 15.442 12.594 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.893 15.486 11.026 1.00 0.00 H new ATOM 363 N GLY A 25 -3.711 12.973 10.717 1.00 0.00 N ATOM 364 CA GLY A 25 -5.062 12.615 11.095 1.00 0.00 C ATOM 365 C GLY A 25 -5.678 11.695 10.069 1.00 0.00 C ATOM 366 O GLY A 25 -6.887 11.720 9.836 1.00 0.00 O ATOM 0 H GLY A 25 -3.647 13.712 10.017 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.055 12.128 12.070 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.668 13.516 11.193 1.00 0.00 H new ATOM 370 N TYR A 26 -4.827 10.875 9.469 1.00 0.00 N ATOM 371 CA TYR A 26 -5.215 9.994 8.374 1.00 0.00 C ATOM 372 C TYR A 26 -6.248 8.955 8.813 1.00 0.00 C ATOM 373 O TYR A 26 -6.980 8.412 7.989 1.00 0.00 O ATOM 374 CB TYR A 26 -3.972 9.300 7.808 1.00 0.00 C ATOM 375 CG TYR A 26 -3.217 8.458 8.816 1.00 0.00 C ATOM 376 CD1 TYR A 26 -3.540 7.120 9.021 1.00 0.00 C ATOM 377 CD2 TYR A 26 -2.183 9.002 9.566 1.00 0.00 C ATOM 378 CE1 TYR A 26 -2.851 6.354 9.942 1.00 0.00 C ATOM 379 CE2 TYR A 26 -1.490 8.243 10.487 1.00 0.00 C ATOM 380 CZ TYR A 26 -1.828 6.920 10.672 1.00 0.00 C ATOM 381 OH TYR A 26 -1.140 6.162 11.591 1.00 0.00 O ATOM 0 H TYR A 26 -3.843 10.801 9.728 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.680 10.605 7.600 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.272 8.666 6.974 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.298 10.057 7.407 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.342 6.673 8.451 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.916 10.039 9.426 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.113 5.317 10.089 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.687 8.684 11.060 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.450 6.712 12.018 1.00 0.00 H new ATOM 391 N ALA A 27 -6.308 8.689 10.115 1.00 0.00 N ATOM 392 CA ALA A 27 -7.264 7.730 10.660 1.00 0.00 C ATOM 393 C ALA A 27 -8.694 8.241 10.516 1.00 0.00 C ATOM 394 O ALA A 27 -9.655 7.475 10.608 1.00 0.00 O ATOM 395 CB ALA A 27 -6.948 7.437 12.119 1.00 0.00 C ATOM 0 H ALA A 27 -5.705 9.125 10.813 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.177 6.804 10.091 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.670 6.720 12.511 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.944 7.020 12.197 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.004 8.360 12.696 1.00 0.00 H new ATOM 401 N GLU A 28 -8.827 9.539 10.288 1.00 0.00 N ATOM 402 CA GLU A 28 -10.130 10.153 10.097 1.00 0.00 C ATOM 403 C GLU A 28 -10.442 10.318 8.615 1.00 0.00 C ATOM 404 O GLU A 28 -11.564 10.656 8.243 1.00 0.00 O ATOM 405 CB GLU A 28 -10.186 11.507 10.800 1.00 0.00 C ATOM 406 CG GLU A 28 -10.359 11.402 12.305 1.00 0.00 C ATOM 407 CD GLU A 28 -11.703 10.819 12.685 1.00 0.00 C ATOM 408 OE1 GLU A 28 -12.703 11.566 12.672 1.00 0.00 O ATOM 409 OE2 GLU A 28 -11.777 9.607 12.982 1.00 0.00 O ATOM 0 H GLU A 28 -8.043 10.189 10.231 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.882 9.496 10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.270 12.057 10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.011 12.088 10.387 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.565 10.780 12.718 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.254 12.391 12.751 1.00 0.00 H new ATOM 416 N ASP A 29 -9.448 10.077 7.771 1.00 0.00 N ATOM 417 CA ASP A 29 -9.626 10.224 6.342 1.00 0.00 C ATOM 418 C ASP A 29 -10.296 8.992 5.757 1.00 0.00 C ATOM 419 O ASP A 29 -9.670 7.948 5.554 1.00 0.00 O ATOM 420 CB ASP A 29 -8.292 10.516 5.662 1.00 0.00 C ATOM 421 CG ASP A 29 -7.819 11.925 5.959 1.00 0.00 C ATOM 422 OD1 ASP A 29 -8.580 12.880 5.675 1.00 0.00 O ATOM 423 OD2 ASP A 29 -6.701 12.091 6.478 1.00 0.00 O ATOM 0 H ASP A 29 -8.514 9.780 8.055 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.282 11.074 6.157 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.544 9.800 6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.394 10.384 4.585 1.00 0.00 H new ATOM 428 N GLU A 30 -11.581 9.151 5.475 1.00 0.00 N ATOM 429 CA GLU A 30 -12.460 8.064 5.070 1.00 0.00 C ATOM 430 C GLU A 30 -11.934 7.331 3.846 1.00 0.00 C ATOM 431 O GLU A 30 -12.027 6.104 3.758 1.00 0.00 O ATOM 432 CB GLU A 30 -13.833 8.648 4.770 1.00 0.00 C ATOM 433 CG GLU A 30 -14.891 7.632 4.398 1.00 0.00 C ATOM 434 CD GLU A 30 -16.213 8.296 4.088 1.00 0.00 C ATOM 435 OE1 GLU A 30 -16.857 8.805 5.028 1.00 0.00 O ATOM 436 OE2 GLU A 30 -16.604 8.328 2.903 1.00 0.00 O ATOM 0 H GLU A 30 -12.050 10.055 5.522 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.513 7.337 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.174 9.203 5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.736 9.365 3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.558 7.060 3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.021 6.925 5.217 1.00 0.00 H new ATOM 443 N LEU A 31 -11.376 8.082 2.908 1.00 0.00 N ATOM 444 CA LEU A 31 -10.891 7.510 1.672 1.00 0.00 C ATOM 445 C LEU A 31 -9.782 6.509 1.960 1.00 0.00 C ATOM 446 O LEU A 31 -9.726 5.436 1.362 1.00 0.00 O ATOM 447 CB LEU A 31 -10.393 8.609 0.733 1.00 0.00 C ATOM 448 CG LEU A 31 -10.200 8.177 -0.721 1.00 0.00 C ATOM 449 CD1 LEU A 31 -11.491 7.607 -1.284 1.00 0.00 C ATOM 450 CD2 LEU A 31 -9.728 9.343 -1.573 1.00 0.00 C ATOM 0 H LEU A 31 -11.250 9.091 2.985 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.712 6.989 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.101 9.437 0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.444 8.988 1.113 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.435 7.401 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.334 7.305 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.794 6.741 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.273 8.366 -1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.598 9.012 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.469 10.141 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.778 9.714 -1.188 1.00 0.00 H new ATOM 462 N LEU A 32 -8.931 6.847 2.916 1.00 0.00 N ATOM 463 CA LEU A 32 -7.817 6.006 3.279 1.00 0.00 C ATOM 464 C LEU A 32 -8.313 4.732 3.952 1.00 0.00 C ATOM 465 O LEU A 32 -7.869 3.625 3.634 1.00 0.00 O ATOM 466 CB LEU A 32 -6.897 6.773 4.220 1.00 0.00 C ATOM 467 CG LEU A 32 -5.424 6.700 3.859 1.00 0.00 C ATOM 468 CD1 LEU A 32 -5.133 7.556 2.636 1.00 0.00 C ATOM 469 CD2 LEU A 32 -4.557 7.124 5.028 1.00 0.00 C ATOM 0 H LEU A 32 -8.998 7.710 3.456 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.267 5.727 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.203 7.819 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.030 6.388 5.231 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.183 5.664 3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.073 7.492 2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.723 7.197 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.395 8.593 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.507 7.063 4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.798 8.150 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.742 6.465 5.876 1.00 0.00 H new ATOM 481 N LEU A 33 -9.261 4.901 4.865 1.00 0.00 N ATOM 482 CA LEU A 33 -9.794 3.793 5.631 1.00 0.00 C ATOM 483 C LEU A 33 -10.578 2.822 4.758 1.00 0.00 C ATOM 484 O LEU A 33 -10.341 1.615 4.802 1.00 0.00 O ATOM 485 CB LEU A 33 -10.680 4.319 6.751 1.00 0.00 C ATOM 486 CG LEU A 33 -10.015 4.405 8.127 1.00 0.00 C ATOM 487 CD1 LEU A 33 -9.611 3.023 8.620 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.808 5.332 8.088 1.00 0.00 C ATOM 0 H LEU A 33 -9.676 5.805 5.091 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.951 3.246 6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.035 5.312 6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.557 3.677 6.829 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.741 4.819 8.826 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.141 3.109 9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.496 2.391 8.697 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.907 2.577 7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.352 5.377 9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.081 4.953 7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.126 6.331 7.789 1.00 0.00 H new ATOM 500 N ASN A 34 -11.479 3.342 3.930 1.00 0.00 N ATOM 501 CA ASN A 34 -12.320 2.471 3.121 1.00 0.00 C ATOM 502 C ASN A 34 -11.494 1.794 2.039 1.00 0.00 C ATOM 503 O ASN A 34 -11.767 0.658 1.679 1.00 0.00 O ATOM 504 CB ASN A 34 -13.521 3.215 2.506 1.00 0.00 C ATOM 505 CG ASN A 34 -13.232 3.858 1.161 1.00 0.00 C ATOM 506 OD1 ASN A 34 -13.345 3.221 0.112 1.00 0.00 O ATOM 507 ND2 ASN A 34 -12.889 5.132 1.177 1.00 0.00 N ATOM 0 H ASN A 34 -11.643 4.341 3.804 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.729 1.710 3.786 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.348 2.514 2.391 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.851 3.987 3.202 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.707 5.622 0.301 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -12.805 5.627 2.065 1.00 0.00 H new ATOM 514 N GLN A 35 -10.462 2.475 1.546 1.00 0.00 N ATOM 515 CA GLN A 35 -9.585 1.885 0.540 1.00 0.00 C ATOM 516 C GLN A 35 -8.832 0.695 1.129 1.00 0.00 C ATOM 517 O GLN A 35 -8.732 -0.376 0.505 1.00 0.00 O ATOM 518 CB GLN A 35 -8.606 2.930 0.009 1.00 0.00 C ATOM 519 CG GLN A 35 -8.671 3.098 -1.501 1.00 0.00 C ATOM 520 CD GLN A 35 -8.853 4.541 -1.956 1.00 0.00 C ATOM 521 OE1 GLN A 35 -9.470 4.792 -2.989 1.00 0.00 O ATOM 522 NE2 GLN A 35 -8.327 5.502 -1.205 1.00 0.00 N ATOM 0 H GLN A 35 -10.215 3.425 1.823 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.195 1.532 -0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.814 3.889 0.484 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.593 2.647 0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.755 2.702 -1.940 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.495 2.499 -1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.820 5.263 -0.353 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.430 6.479 -1.481 1.00 0.00 H new ATOM 531 N MET A 36 -8.340 0.872 2.351 1.00 0.00 N ATOM 532 CA MET A 36 -7.673 -0.208 3.061 1.00 0.00 C ATOM 533 C MET A 36 -8.689 -1.098 3.761 1.00 0.00 C ATOM 534 O MET A 36 -8.329 -1.987 4.528 1.00 0.00 O ATOM 535 CB MET A 36 -6.652 0.328 4.065 1.00 0.00 C ATOM 536 CG MET A 36 -5.446 0.978 3.409 1.00 0.00 C ATOM 537 SD MET A 36 -4.762 -0.019 2.066 1.00 0.00 S ATOM 538 CE MET A 36 -4.312 -1.532 2.912 1.00 0.00 C ATOM 0 H MET A 36 -8.391 1.750 2.867 1.00 0.00 H new ATOM 0 HA MET A 36 -7.135 -0.804 2.324 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.139 1.055 4.714 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.314 -0.491 4.700 1.00 0.00 H new ATOM 0 HG2 MET A 36 -5.731 1.956 3.021 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.675 1.146 4.161 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.862 -2.226 2.202 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.597 -1.308 3.703 1.00 0.00 H new ATOM 0 HE3 MET A 36 -5.203 -1.985 3.346 1.00 0.00 H new ATOM 548 N GLY A 37 -9.960 -0.809 3.547 1.00 0.00 N ATOM 549 CA GLY A 37 -11.005 -1.748 3.889 1.00 0.00 C ATOM 550 C GLY A 37 -11.375 -2.593 2.687 1.00 0.00 C ATOM 551 O GLY A 37 -11.791 -3.740 2.821 1.00 0.00 O ATOM 0 H GLY A 37 -10.289 0.066 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.672 -2.391 4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.883 -1.210 4.246 1.00 0.00 H new ATOM 555 N LYS A 38 -11.207 -2.006 1.507 1.00 0.00 N ATOM 556 CA LYS A 38 -11.477 -2.683 0.246 1.00 0.00 C ATOM 557 C LYS A 38 -10.477 -3.801 -0.004 1.00 0.00 C ATOM 558 O LYS A 38 -10.823 -4.979 0.052 1.00 0.00 O ATOM 559 CB LYS A 38 -11.405 -1.687 -0.907 1.00 0.00 C ATOM 560 CG LYS A 38 -12.485 -0.618 -0.862 1.00 0.00 C ATOM 561 CD LYS A 38 -12.262 0.461 -1.911 1.00 0.00 C ATOM 562 CE LYS A 38 -12.514 -0.051 -3.319 1.00 0.00 C ATOM 563 NZ LYS A 38 -12.281 1.008 -4.336 1.00 0.00 N ATOM 0 H LYS A 38 -10.879 -1.046 1.399 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.477 -3.113 0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.428 -1.204 -0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.483 -2.230 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.460 -1.080 -1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.504 -0.163 0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.922 1.305 -1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.240 0.831 -1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.861 -0.900 -3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.539 -0.412 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.462 0.624 -5.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.922 1.807 -4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.295 1.335 -4.277 1.00 0.00 H new ATOM 577 N VAL A 39 -9.231 -3.429 -0.277 1.00 0.00 N ATOM 578 CA VAL A 39 -8.219 -4.422 -0.620 1.00 0.00 C ATOM 579 C VAL A 39 -7.341 -4.724 0.586 1.00 0.00 C ATOM 580 O VAL A 39 -6.244 -4.186 0.757 1.00 0.00 O ATOM 581 CB VAL A 39 -7.376 -3.993 -1.843 1.00 0.00 C ATOM 582 CG1 VAL A 39 -6.636 -2.683 -1.597 1.00 0.00 C ATOM 583 CG2 VAL A 39 -6.414 -5.102 -2.242 1.00 0.00 C ATOM 0 H VAL A 39 -8.901 -2.464 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.736 -5.338 -0.905 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.063 -3.816 -2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.057 -2.420 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.356 -1.892 -1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.965 -2.798 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.829 -4.783 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.745 -5.320 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.978 -5.999 -2.498 1.00 0.00 H new ATOM 593 N ASN A 40 -7.839 -5.597 1.436 1.00 0.00 N ATOM 594 CA ASN A 40 -7.217 -5.815 2.718 1.00 0.00 C ATOM 595 C ASN A 40 -7.835 -6.991 3.453 1.00 0.00 C ATOM 596 O ASN A 40 -7.177 -7.642 4.260 1.00 0.00 O ATOM 597 CB ASN A 40 -7.366 -4.540 3.526 1.00 0.00 C ATOM 598 CG ASN A 40 -6.654 -4.595 4.848 1.00 0.00 C ATOM 599 OD1 ASN A 40 -7.254 -4.856 5.889 1.00 0.00 O ATOM 600 ND2 ASN A 40 -5.359 -4.373 4.804 1.00 0.00 N ATOM 0 H ASN A 40 -8.669 -6.163 1.261 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.164 -6.059 2.575 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.979 -3.702 2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.425 -4.347 3.698 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.805 -4.414 5.660 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.908 -4.160 3.914 1.00 0.00 H new ATOM 607 N ASP A 41 -9.095 -7.275 3.158 1.00 0.00 N ATOM 608 CA ASP A 41 -9.807 -8.342 3.855 1.00 0.00 C ATOM 609 C ASP A 41 -9.342 -9.715 3.370 1.00 0.00 C ATOM 610 O ASP A 41 -9.252 -10.661 4.152 1.00 0.00 O ATOM 611 CB ASP A 41 -11.323 -8.203 3.662 1.00 0.00 C ATOM 612 CG ASP A 41 -11.773 -8.498 2.246 1.00 0.00 C ATOM 613 OD1 ASP A 41 -11.733 -7.583 1.399 1.00 0.00 O ATOM 614 OD2 ASP A 41 -12.177 -9.647 1.973 1.00 0.00 O ATOM 0 H ASP A 41 -9.643 -6.789 2.449 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.581 -8.253 4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.834 -8.880 4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.626 -7.191 3.929 1.00 0.00 H new ATOM 619 N THR A 42 -9.043 -9.816 2.078 1.00 0.00 N ATOM 620 CA THR A 42 -8.545 -11.053 1.492 1.00 0.00 C ATOM 621 C THR A 42 -7.370 -10.773 0.547 1.00 0.00 C ATOM 622 O THR A 42 -7.475 -10.929 -0.670 1.00 0.00 O ATOM 623 CB THR A 42 -9.665 -11.807 0.739 1.00 0.00 C ATOM 624 OG1 THR A 42 -10.565 -10.874 0.122 1.00 0.00 O ATOM 625 CG2 THR A 42 -10.438 -12.718 1.681 1.00 0.00 C ATOM 0 H THR A 42 -9.139 -9.048 1.414 1.00 0.00 H new ATOM 0 HA THR A 42 -8.196 -11.686 2.308 1.00 0.00 H new ATOM 0 HB THR A 42 -9.198 -12.421 -0.031 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.219 -10.564 0.783 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.220 -13.236 1.126 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.759 -13.449 2.119 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.890 -12.122 2.474 1.00 0.00 H new ATOM 633 N PRO A 43 -6.233 -10.339 1.113 1.00 0.00 N ATOM 634 CA PRO A 43 -5.043 -9.958 0.358 1.00 0.00 C ATOM 635 C PRO A 43 -3.987 -11.066 0.298 1.00 0.00 C ATOM 636 O PRO A 43 -2.901 -10.863 -0.245 1.00 0.00 O ATOM 637 CB PRO A 43 -4.531 -8.806 1.202 1.00 0.00 C ATOM 638 CG PRO A 43 -4.818 -9.233 2.606 1.00 0.00 C ATOM 639 CD PRO A 43 -6.012 -10.150 2.555 1.00 0.00 C ATOM 0 HA PRO A 43 -5.257 -9.731 -0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.465 -8.639 1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.040 -7.874 0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.957 -9.745 3.036 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.023 -8.368 3.237 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.814 -11.096 3.059 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.881 -9.706 3.040 1.00 0.00 H new ATOM 647 N GLU A 44 -4.314 -12.217 0.892 1.00 0.00 N ATOM 648 CA GLU A 44 -3.410 -13.374 0.985 1.00 0.00 C ATOM 649 C GLU A 44 -2.289 -13.145 2.010 1.00 0.00 C ATOM 650 O GLU A 44 -1.974 -14.039 2.797 1.00 0.00 O ATOM 651 CB GLU A 44 -2.827 -13.746 -0.385 1.00 0.00 C ATOM 652 CG GLU A 44 -2.051 -15.054 -0.376 1.00 0.00 C ATOM 653 CD GLU A 44 -1.606 -15.488 -1.756 1.00 0.00 C ATOM 654 OE1 GLU A 44 -2.442 -16.014 -2.518 1.00 0.00 O ATOM 655 OE2 GLU A 44 -0.412 -15.325 -2.079 1.00 0.00 O ATOM 0 H GLU A 44 -5.223 -12.377 1.327 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.010 -14.214 1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.638 -13.818 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.170 -12.944 -0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.176 -14.946 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.672 -15.835 0.062 1.00 0.00 H new ATOM 662 N GLU A 45 -1.687 -11.961 1.989 1.00 0.00 N ATOM 663 CA GLU A 45 -0.648 -11.597 2.950 1.00 0.00 C ATOM 664 C GLU A 45 -1.182 -11.641 4.391 1.00 0.00 C ATOM 665 O GLU A 45 -0.936 -12.606 5.116 1.00 0.00 O ATOM 666 CB GLU A 45 -0.102 -10.205 2.614 1.00 0.00 C ATOM 667 CG GLU A 45 0.993 -9.713 3.549 1.00 0.00 C ATOM 668 CD GLU A 45 2.288 -10.483 3.424 1.00 0.00 C ATOM 669 OE1 GLU A 45 2.592 -10.969 2.319 1.00 0.00 O ATOM 670 OE2 GLU A 45 3.027 -10.557 4.426 1.00 0.00 O ATOM 0 H GLU A 45 -1.902 -11.230 1.311 1.00 0.00 H new ATOM 0 HA GLU A 45 0.161 -12.324 2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.286 -10.217 1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.926 -9.491 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.186 -8.659 3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.638 -9.780 4.577 1.00 0.00 H new ATOM 677 N GLU A 46 -1.918 -10.605 4.801 1.00 0.00 N ATOM 678 CA GLU A 46 -2.510 -10.561 6.140 1.00 0.00 C ATOM 679 C GLU A 46 -3.866 -9.856 6.111 1.00 0.00 C ATOM 680 O GLU A 46 -4.865 -10.439 5.700 1.00 0.00 O ATOM 681 CB GLU A 46 -1.588 -9.863 7.150 1.00 0.00 C ATOM 682 CG GLU A 46 -0.303 -10.612 7.448 1.00 0.00 C ATOM 683 CD GLU A 46 0.569 -9.891 8.455 1.00 0.00 C ATOM 684 OE1 GLU A 46 0.402 -10.125 9.669 1.00 0.00 O ATOM 685 OE2 GLU A 46 1.437 -9.099 8.037 1.00 0.00 O ATOM 0 H GLU A 46 -2.118 -9.787 4.226 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.647 -11.594 6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.337 -8.873 6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.134 -9.718 8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.545 -11.605 7.827 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.256 -10.751 6.522 1.00 0.00 H new ATOM 692 N GLY A 47 -3.894 -8.598 6.542 1.00 0.00 N ATOM 693 CA GLY A 47 -5.114 -7.819 6.480 1.00 0.00 C ATOM 694 C GLY A 47 -5.012 -6.524 7.261 1.00 0.00 C ATOM 695 O GLY A 47 -4.329 -5.587 6.847 1.00 0.00 O ATOM 0 H GLY A 47 -3.091 -8.105 6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.347 -7.595 5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.941 -8.412 6.871 1.00 0.00 H new ATOM 699 N MET A 48 -5.675 -6.472 8.399 1.00 0.00 N ATOM 700 CA MET A 48 -5.647 -5.299 9.255 1.00 0.00 C ATOM 701 C MET A 48 -4.208 -4.806 9.522 1.00 0.00 C ATOM 702 O MET A 48 -3.928 -3.601 9.407 1.00 0.00 O ATOM 703 CB MET A 48 -6.388 -5.602 10.557 1.00 0.00 C ATOM 704 CG MET A 48 -6.393 -4.450 11.530 1.00 0.00 C ATOM 705 SD MET A 48 -7.060 -2.947 10.813 1.00 0.00 S ATOM 706 CE MET A 48 -6.381 -1.780 11.971 1.00 0.00 C ATOM 0 H MET A 48 -6.247 -7.237 8.757 1.00 0.00 H new ATOM 0 HA MET A 48 -6.154 -4.484 8.738 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.417 -5.875 10.325 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.929 -6.468 11.034 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.980 -4.722 12.407 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.375 -4.264 11.873 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.687 -0.771 11.693 1.00 0.00 H new ATOM 0 HE2 MET A 48 -6.746 -2.007 12.973 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.293 -1.846 11.958 1.00 0.00 H new ATOM 716 N PRO A 49 -3.260 -5.713 9.855 1.00 0.00 N ATOM 717 CA PRO A 49 -1.853 -5.342 10.010 1.00 0.00 C ATOM 718 C PRO A 49 -1.282 -4.725 8.734 1.00 0.00 C ATOM 719 O PRO A 49 -0.440 -3.832 8.803 1.00 0.00 O ATOM 720 CB PRO A 49 -1.149 -6.664 10.336 1.00 0.00 C ATOM 721 CG PRO A 49 -2.104 -7.718 9.906 1.00 0.00 C ATOM 722 CD PRO A 49 -3.466 -7.146 10.123 1.00 0.00 C ATOM 0 HA PRO A 49 -1.717 -4.586 10.783 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.201 -6.749 9.805 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.927 -6.742 11.400 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.952 -7.980 8.859 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.966 -8.631 10.486 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.201 -7.583 9.447 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.822 -7.321 11.138 1.00 0.00 H new ATOM 730 N LEU A 50 -1.765 -5.188 7.566 1.00 0.00 N ATOM 731 CA LEU A 50 -1.337 -4.618 6.286 1.00 0.00 C ATOM 732 C LEU A 50 -1.617 -3.147 6.271 1.00 0.00 C ATOM 733 O LEU A 50 -0.761 -2.347 5.950 1.00 0.00 O ATOM 734 CB LEU A 50 -2.123 -5.186 5.110 1.00 0.00 C ATOM 735 CG LEU A 50 -1.869 -6.624 4.724 1.00 0.00 C ATOM 736 CD1 LEU A 50 -2.913 -7.055 3.728 1.00 0.00 C ATOM 737 CD2 LEU A 50 -0.504 -6.770 4.109 1.00 0.00 C ATOM 0 H LEU A 50 -2.443 -5.946 7.487 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.277 -4.853 6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.185 -5.082 5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.919 -4.564 4.239 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.919 -7.247 5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.738 -8.092 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.903 -6.964 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.855 -6.421 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.337 -7.812 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.438 -6.147 3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.254 -6.457 4.827 1.00 0.00 H new ATOM 749 N ARG A 51 -2.828 -2.808 6.663 1.00 0.00 N ATOM 750 CA ARG A 51 -3.271 -1.431 6.636 1.00 0.00 C ATOM 751 C ARG A 51 -2.410 -0.576 7.543 1.00 0.00 C ATOM 752 O ARG A 51 -1.947 0.486 7.142 1.00 0.00 O ATOM 753 CB ARG A 51 -4.743 -1.361 7.022 1.00 0.00 C ATOM 754 CG ARG A 51 -5.245 0.025 7.386 1.00 0.00 C ATOM 755 CD ARG A 51 -6.609 -0.036 8.060 1.00 0.00 C ATOM 756 NE ARG A 51 -7.576 -0.817 7.285 1.00 0.00 N ATOM 757 CZ ARG A 51 -8.773 -1.185 7.744 1.00 0.00 C ATOM 758 NH1 ARG A 51 -9.167 -0.817 8.953 1.00 0.00 N ATOM 759 NH2 ARG A 51 -9.577 -1.921 6.990 1.00 0.00 N ATOM 0 H ARG A 51 -3.524 -3.470 7.005 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.165 -1.035 5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.339 -1.741 6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.913 -2.027 7.868 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.530 0.509 8.052 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.309 0.638 6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.503 -0.475 9.052 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.990 0.976 8.198 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.319 -1.096 6.338 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.554 -0.249 9.538 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.083 -1.101 9.299 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.281 -2.207 6.057 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.492 -2.201 7.343 1.00 0.00 H new ATOM 773 N ALA A 52 -2.165 -1.057 8.748 1.00 0.00 N ATOM 774 CA ALA A 52 -1.351 -0.311 9.690 1.00 0.00 C ATOM 775 C ALA A 52 0.086 -0.139 9.182 1.00 0.00 C ATOM 776 O ALA A 52 0.602 0.979 9.152 1.00 0.00 O ATOM 777 CB ALA A 52 -1.357 -0.994 11.048 1.00 0.00 C ATOM 0 H ALA A 52 -2.513 -1.951 9.095 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.786 0.683 9.791 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.743 -0.424 11.745 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.379 -1.047 11.424 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.954 -2.002 10.950 1.00 0.00 H new ATOM 783 N TRP A 53 0.726 -1.232 8.758 1.00 0.00 N ATOM 784 CA TRP A 53 2.120 -1.150 8.329 1.00 0.00 C ATOM 785 C TRP A 53 2.246 -0.475 6.965 1.00 0.00 C ATOM 786 O TRP A 53 3.181 0.291 6.735 1.00 0.00 O ATOM 787 CB TRP A 53 2.824 -2.527 8.354 1.00 0.00 C ATOM 788 CG TRP A 53 2.630 -3.410 7.148 1.00 0.00 C ATOM 789 CD1 TRP A 53 1.814 -4.496 7.057 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.297 -3.310 5.881 1.00 0.00 C ATOM 791 NE1 TRP A 53 1.912 -5.061 5.810 1.00 0.00 N ATOM 792 CE2 TRP A 53 2.811 -4.350 5.070 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.244 -2.434 5.349 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.239 -4.539 3.762 1.00 0.00 C ATOM 795 CZ3 TRP A 53 4.669 -2.623 4.051 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.166 -3.669 3.270 1.00 0.00 C ATOM 0 H TRP A 53 0.311 -2.162 8.704 1.00 0.00 H new ATOM 0 HA TRP A 53 2.638 -0.523 9.054 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.893 -2.360 8.485 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.477 -3.070 9.233 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.180 -4.861 7.852 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.396 -5.880 5.488 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.637 -1.622 5.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.852 -5.346 3.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.403 -1.952 3.630 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.519 -3.790 2.257 1.00 0.00 H new ATOM 807 N VAL A 54 1.302 -0.751 6.069 1.00 0.00 N ATOM 808 CA VAL A 54 1.363 -0.233 4.708 1.00 0.00 C ATOM 809 C VAL A 54 1.131 1.273 4.702 1.00 0.00 C ATOM 810 O VAL A 54 1.854 2.012 4.034 1.00 0.00 O ATOM 811 CB VAL A 54 0.365 -0.966 3.761 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.956 -0.226 3.611 1.00 0.00 C ATOM 813 CG2 VAL A 54 0.994 -1.217 2.403 1.00 0.00 C ATOM 0 H VAL A 54 0.486 -1.331 6.263 1.00 0.00 H new ATOM 0 HA VAL A 54 2.363 -0.428 4.322 1.00 0.00 H new ATOM 0 HB VAL A 54 0.139 -1.924 4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.611 -0.783 2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.432 -0.130 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.773 0.766 3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.279 -1.729 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.273 -0.266 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.883 -1.836 2.523 1.00 0.00 H new ATOM 823 N ILE A 55 0.139 1.728 5.466 1.00 0.00 N ATOM 824 CA ILE A 55 -0.103 3.152 5.626 1.00 0.00 C ATOM 825 C ILE A 55 1.077 3.826 6.318 1.00 0.00 C ATOM 826 O ILE A 55 1.481 4.925 5.940 1.00 0.00 O ATOM 827 CB ILE A 55 -1.407 3.396 6.411 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.598 2.983 5.549 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.532 4.844 6.854 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.928 3.080 6.261 1.00 0.00 C ATOM 0 H ILE A 55 -0.506 1.129 5.981 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.213 3.593 4.635 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.388 2.789 7.316 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.626 3.612 4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.451 1.957 5.210 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.464 4.977 7.404 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.691 5.102 7.497 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.532 5.494 5.979 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.726 2.771 5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.921 2.430 7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.098 4.110 6.576 1.00 0.00 H new ATOM 842 N LYS A 56 1.646 3.155 7.314 1.00 0.00 N ATOM 843 CA LYS A 56 2.807 3.683 8.020 1.00 0.00 C ATOM 844 C LYS A 56 3.994 3.830 7.067 1.00 0.00 C ATOM 845 O LYS A 56 4.629 4.883 7.006 1.00 0.00 O ATOM 846 CB LYS A 56 3.184 2.765 9.187 1.00 0.00 C ATOM 847 CG LYS A 56 4.239 3.345 10.121 1.00 0.00 C ATOM 848 CD LYS A 56 3.726 4.564 10.878 1.00 0.00 C ATOM 849 CE LYS A 56 2.538 4.219 11.768 1.00 0.00 C ATOM 850 NZ LYS A 56 2.080 5.389 12.562 1.00 0.00 N ATOM 0 H LYS A 56 1.323 2.247 7.649 1.00 0.00 H new ATOM 0 HA LYS A 56 2.550 4.667 8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.287 2.542 9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.549 1.819 8.787 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.551 2.581 10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.121 3.622 9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.529 4.978 11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.435 5.337 10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.716 3.855 11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.813 3.408 12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.271 5.112 13.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.856 5.721 13.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.793 6.154 11.919 1.00 0.00 H new ATOM 864 N CYS A 57 4.268 2.772 6.310 1.00 0.00 N ATOM 865 CA CYS A 57 5.395 2.758 5.381 1.00 0.00 C ATOM 866 C CYS A 57 5.195 3.783 4.268 1.00 0.00 C ATOM 867 O CYS A 57 6.105 4.551 3.952 1.00 0.00 O ATOM 868 CB CYS A 57 5.573 1.360 4.782 1.00 0.00 C ATOM 869 SG CYS A 57 7.036 1.182 3.735 1.00 0.00 S ATOM 0 H CYS A 57 3.723 1.910 6.321 1.00 0.00 H new ATOM 0 HA CYS A 57 6.295 3.023 5.935 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.630 0.634 5.593 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.688 1.113 4.195 1.00 0.00 H new ATOM 0 HG CYS A 57 7.341 -0.077 3.626 1.00 0.00 H new ATOM 875 N ALA A 58 3.998 3.791 3.684 1.00 0.00 N ATOM 876 CA ALA A 58 3.669 4.731 2.620 1.00 0.00 C ATOM 877 C ALA A 58 3.758 6.170 3.116 1.00 0.00 C ATOM 878 O ALA A 58 4.200 7.058 2.391 1.00 0.00 O ATOM 879 CB ALA A 58 2.279 4.448 2.069 1.00 0.00 C ATOM 0 H ALA A 58 3.240 3.155 3.932 1.00 0.00 H new ATOM 0 HA ALA A 58 4.396 4.601 1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.050 5.160 1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.246 3.435 1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.544 4.547 2.868 1.00 0.00 H new ATOM 885 N HIS A 59 3.340 6.386 4.358 1.00 0.00 N ATOM 886 CA HIS A 59 3.408 7.706 4.975 1.00 0.00 C ATOM 887 C HIS A 59 4.860 8.175 5.038 1.00 0.00 C ATOM 888 O HIS A 59 5.173 9.307 4.664 1.00 0.00 O ATOM 889 CB HIS A 59 2.801 7.655 6.386 1.00 0.00 C ATOM 890 CG HIS A 59 2.431 8.994 6.955 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.651 9.137 8.083 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.729 10.248 6.549 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.485 10.420 8.342 1.00 0.00 C ATOM 894 NE2 HIS A 59 2.131 11.118 7.429 1.00 0.00 N ATOM 0 H HIS A 59 2.949 5.661 4.960 1.00 0.00 H new ATOM 0 HA HIS A 59 2.837 8.413 4.374 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.911 7.026 6.362 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.513 7.174 7.057 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.327 10.517 5.691 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.916 10.829 9.163 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.179 12.136 7.383 1.00 0.00 H new ATOM 903 N GLU A 60 5.739 7.285 5.489 1.00 0.00 N ATOM 904 CA GLU A 60 7.163 7.589 5.589 1.00 0.00 C ATOM 905 C GLU A 60 7.765 7.866 4.215 1.00 0.00 C ATOM 906 O GLU A 60 8.474 8.854 4.028 1.00 0.00 O ATOM 907 CB GLU A 60 7.907 6.425 6.245 1.00 0.00 C ATOM 908 CG GLU A 60 7.529 6.197 7.698 1.00 0.00 C ATOM 909 CD GLU A 60 7.905 7.365 8.581 1.00 0.00 C ATOM 910 OE1 GLU A 60 9.092 7.483 8.940 1.00 0.00 O ATOM 911 OE2 GLU A 60 7.015 8.170 8.927 1.00 0.00 O ATOM 0 H GLU A 60 5.489 6.344 5.792 1.00 0.00 H new ATOM 0 HA GLU A 60 7.270 8.484 6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.708 5.514 5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.979 6.610 6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.455 6.023 7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.023 5.296 8.062 1.00 0.00 H new ATOM 918 N ALA A 61 7.464 6.995 3.256 1.00 0.00 N ATOM 919 CA ALA A 61 8.020 7.108 1.912 1.00 0.00 C ATOM 920 C ALA A 61 7.560 8.387 1.223 1.00 0.00 C ATOM 921 O ALA A 61 8.343 9.066 0.562 1.00 0.00 O ATOM 922 CB ALA A 61 7.636 5.895 1.079 1.00 0.00 C ATOM 0 H ALA A 61 6.836 6.201 3.386 1.00 0.00 H new ATOM 0 HA ALA A 61 9.105 7.150 2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.057 5.992 0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.025 4.992 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.550 5.830 1.010 1.00 0.00 H new ATOM 928 N LEU A 62 6.285 8.714 1.390 1.00 0.00 N ATOM 929 CA LEU A 62 5.702 9.886 0.754 1.00 0.00 C ATOM 930 C LEU A 62 6.315 11.165 1.319 1.00 0.00 C ATOM 931 O LEU A 62 6.698 12.050 0.567 1.00 0.00 O ATOM 932 CB LEU A 62 4.172 9.856 0.931 1.00 0.00 C ATOM 933 CG LEU A 62 3.344 10.919 0.184 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.478 12.297 0.813 1.00 0.00 C ATOM 935 CD2 LEU A 62 3.732 10.960 -1.284 1.00 0.00 C ATOM 0 H LEU A 62 5.633 8.180 1.964 1.00 0.00 H new ATOM 0 HA LEU A 62 5.923 9.871 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.817 8.874 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.956 9.949 1.995 1.00 0.00 H new ATOM 0 HG LEU A 62 2.296 10.630 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.877 13.013 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.130 12.261 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.523 12.606 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.137 11.716 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.790 11.208 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.548 9.986 -1.736 1.00 0.00 H new ATOM 947 N GLU A 63 6.431 11.251 2.637 1.00 0.00 N ATOM 948 CA GLU A 63 6.972 12.452 3.271 1.00 0.00 C ATOM 949 C GLU A 63 8.482 12.570 3.055 1.00 0.00 C ATOM 950 O GLU A 63 9.034 13.672 3.042 1.00 0.00 O ATOM 951 CB GLU A 63 6.650 12.448 4.767 1.00 0.00 C ATOM 952 CG GLU A 63 5.170 12.616 5.072 1.00 0.00 C ATOM 953 CD GLU A 63 4.666 14.010 4.765 1.00 0.00 C ATOM 954 OE1 GLU A 63 4.586 14.377 3.576 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.364 14.758 5.717 1.00 0.00 O ATOM 0 H GLU A 63 6.161 10.512 3.286 1.00 0.00 H new ATOM 0 HA GLU A 63 6.501 13.317 2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.998 11.511 5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.206 13.251 5.252 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.599 11.891 4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.992 12.393 6.124 1.00 0.00 H new ATOM 962 N LYS A 64 9.145 11.431 2.887 1.00 0.00 N ATOM 963 CA LYS A 64 10.585 11.403 2.648 1.00 0.00 C ATOM 964 C LYS A 64 10.919 12.039 1.298 1.00 0.00 C ATOM 965 O LYS A 64 11.950 12.697 1.137 1.00 0.00 O ATOM 966 CB LYS A 64 11.094 9.959 2.695 1.00 0.00 C ATOM 967 CG LYS A 64 12.589 9.820 2.473 1.00 0.00 C ATOM 968 CD LYS A 64 13.044 8.381 2.638 1.00 0.00 C ATOM 969 CE LYS A 64 14.538 8.238 2.404 1.00 0.00 C ATOM 970 NZ LYS A 64 15.326 9.128 3.295 1.00 0.00 N ATOM 0 H LYS A 64 8.706 10.510 2.912 1.00 0.00 H new ATOM 0 HA LYS A 64 11.080 11.979 3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.840 9.527 3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.570 9.376 1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.844 10.171 1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.124 10.455 3.179 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.797 8.033 3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.503 7.745 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.834 7.202 2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.767 8.471 1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.322 8.828 3.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.259 10.108 2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.950 9.071 4.263 1.00 0.00 H new ATOM 984 N ASN A 65 10.025 11.850 0.343 1.00 0.00 N ATOM 985 CA ASN A 65 10.186 12.401 -0.992 1.00 0.00 C ATOM 986 C ASN A 65 8.817 12.759 -1.569 1.00 0.00 C ATOM 987 O ASN A 65 8.302 12.082 -2.460 1.00 0.00 O ATOM 988 CB ASN A 65 10.930 11.411 -1.905 1.00 0.00 C ATOM 989 CG ASN A 65 10.464 9.972 -1.748 1.00 0.00 C ATOM 990 OD1 ASN A 65 11.072 9.180 -1.028 1.00 0.00 O ATOM 991 ND2 ASN A 65 9.367 9.636 -2.397 1.00 0.00 N ATOM 0 H ASN A 65 9.168 11.311 0.470 1.00 0.00 H new ATOM 0 HA ASN A 65 10.788 13.308 -0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.797 11.716 -2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.998 11.464 -1.691 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.993 8.691 -2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.892 10.321 -2.984 1.00 0.00 H new ATOM 998 N PRO A 66 8.223 13.861 -1.080 1.00 0.00 N ATOM 999 CA PRO A 66 6.822 14.212 -1.357 1.00 0.00 C ATOM 1000 C PRO A 66 6.595 14.776 -2.760 1.00 0.00 C ATOM 1001 O PRO A 66 5.738 15.635 -2.968 1.00 0.00 O ATOM 1002 CB PRO A 66 6.523 15.260 -0.286 1.00 0.00 C ATOM 1003 CG PRO A 66 7.831 15.936 -0.063 1.00 0.00 C ATOM 1004 CD PRO A 66 8.875 14.863 -0.213 1.00 0.00 C ATOM 0 HA PRO A 66 6.171 13.339 -1.327 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.762 15.965 -0.620 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.151 14.800 0.629 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.986 16.737 -0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.874 16.388 0.928 1.00 0.00 H new ATOM 0 HD2 PRO A 66 9.787 15.252 -0.666 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.154 14.438 0.751 1.00 0.00 H new ATOM 1012 N LYS A 67 7.368 14.287 -3.718 1.00 0.00 N ATOM 1013 CA LYS A 67 7.194 14.661 -5.113 1.00 0.00 C ATOM 1014 C LYS A 67 6.970 13.413 -5.954 1.00 0.00 C ATOM 1015 O LYS A 67 7.152 13.426 -7.170 1.00 0.00 O ATOM 1016 CB LYS A 67 8.406 15.436 -5.650 1.00 0.00 C ATOM 1017 CG LYS A 67 8.587 16.821 -5.048 1.00 0.00 C ATOM 1018 CD LYS A 67 9.240 16.768 -3.679 1.00 0.00 C ATOM 1019 CE LYS A 67 9.315 18.144 -3.046 1.00 0.00 C ATOM 1020 NZ LYS A 67 10.083 19.104 -3.883 1.00 0.00 N ATOM 0 H LYS A 67 8.127 13.626 -3.553 1.00 0.00 H new ATOM 0 HA LYS A 67 6.324 15.315 -5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.307 14.852 -5.462 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.309 15.534 -6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.196 17.429 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.616 17.310 -4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.675 16.098 -3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.244 16.353 -3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.306 18.526 -2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.782 18.066 -2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.255 19.976 -3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.993 18.679 -4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.539 19.330 -4.740 1.00 0.00 H new ATOM 1034 N ILE A 68 6.597 12.325 -5.293 1.00 0.00 N ATOM 1035 CA ILE A 68 6.302 11.077 -5.984 1.00 0.00 C ATOM 1036 C ILE A 68 4.814 10.924 -6.198 1.00 0.00 C ATOM 1037 O ILE A 68 4.023 11.783 -5.802 1.00 0.00 O ATOM 1038 CB ILE A 68 6.800 9.839 -5.219 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.226 9.814 -3.791 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.318 9.799 -5.226 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.397 8.488 -3.088 1.00 0.00 C ATOM 0 H ILE A 68 6.492 12.282 -4.279 1.00 0.00 H new ATOM 0 HA ILE A 68 6.828 11.134 -6.937 1.00 0.00 H new ATOM 0 HB ILE A 68 6.443 8.940 -5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.710 10.592 -3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.165 10.059 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.661 8.919 -4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.676 9.752 -6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.708 10.697 -4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.968 8.548 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.889 7.708 -3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.458 8.250 -3.014 1.00 0.00 H new ATOM 1053 N ARG A 69 4.437 9.817 -6.806 1.00 0.00 N ATOM 1054 CA ARG A 69 3.039 9.549 -7.077 1.00 0.00 C ATOM 1055 C ARG A 69 2.730 8.060 -6.960 1.00 0.00 C ATOM 1056 O ARG A 69 1.580 7.665 -7.059 1.00 0.00 O ATOM 1057 CB ARG A 69 2.633 10.067 -8.460 1.00 0.00 C ATOM 1058 CG ARG A 69 3.149 9.229 -9.617 1.00 0.00 C ATOM 1059 CD ARG A 69 2.612 9.737 -10.943 1.00 0.00 C ATOM 1060 NE ARG A 69 2.800 8.766 -12.018 1.00 0.00 N ATOM 1061 CZ ARG A 69 2.011 8.681 -13.087 1.00 0.00 C ATOM 1062 NH1 ARG A 69 1.023 9.548 -13.258 1.00 0.00 N ATOM 1063 NH2 ARG A 69 2.216 7.736 -13.993 1.00 0.00 N ATOM 0 H ARG A 69 5.078 9.089 -7.121 1.00 0.00 H new ATOM 0 HA ARG A 69 2.455 10.081 -6.326 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.545 10.110 -8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.998 11.088 -8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.239 9.253 -9.629 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.854 8.189 -9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.551 9.964 -10.841 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.114 10.669 -11.204 1.00 0.00 H new ATOM 0 HE ARG A 69 3.582 8.115 -11.945 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.865 10.284 -12.569 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.421 9.480 -14.078 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.980 7.071 -13.872 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.610 7.674 -14.811 1.00 0.00 H new ATOM 1077 N GLU A 70 3.758 7.227 -6.810 1.00 0.00 N ATOM 1078 CA GLU A 70 3.551 5.812 -6.519 1.00 0.00 C ATOM 1079 C GLU A 70 4.856 5.137 -6.101 1.00 0.00 C ATOM 1080 O GLU A 70 5.940 5.611 -6.443 1.00 0.00 O ATOM 1081 CB GLU A 70 2.942 5.109 -7.729 1.00 0.00 C ATOM 1082 CG GLU A 70 3.795 5.208 -8.982 1.00 0.00 C ATOM 1083 CD GLU A 70 3.277 4.348 -10.111 1.00 0.00 C ATOM 1084 OE1 GLU A 70 2.443 4.832 -10.901 1.00 0.00 O ATOM 1085 OE2 GLU A 70 3.708 3.182 -10.218 1.00 0.00 O ATOM 0 H GLU A 70 4.736 7.506 -6.885 1.00 0.00 H new ATOM 0 HA GLU A 70 2.856 5.734 -5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.786 4.058 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.961 5.538 -7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.832 6.247 -9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.817 4.912 -8.745 1.00 0.00 H new ATOM 1092 N VAL A 71 4.748 4.036 -5.358 1.00 0.00 N ATOM 1093 CA VAL A 71 5.915 3.245 -4.966 1.00 0.00 C ATOM 1094 C VAL A 71 5.595 1.755 -5.013 1.00 0.00 C ATOM 1095 O VAL A 71 4.421 1.350 -4.974 1.00 0.00 O ATOM 1096 CB VAL A 71 6.462 3.592 -3.555 1.00 0.00 C ATOM 1097 CG1 VAL A 71 6.913 5.039 -3.470 1.00 0.00 C ATOM 1098 CG2 VAL A 71 5.446 3.286 -2.471 1.00 0.00 C ATOM 0 H VAL A 71 3.860 3.670 -5.014 1.00 0.00 H new ATOM 0 HA VAL A 71 6.691 3.498 -5.689 1.00 0.00 H new ATOM 0 HB VAL A 71 7.333 2.958 -3.389 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.289 5.245 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.704 5.217 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.070 5.696 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.864 3.542 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.543 3.872 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.200 2.224 -2.492 1.00 0.00 H new ATOM 1108 N TYR A 72 6.641 0.947 -5.097 1.00 0.00 N ATOM 1109 CA TYR A 72 6.497 -0.497 -5.156 1.00 0.00 C ATOM 1110 C TYR A 72 6.953 -1.088 -3.850 1.00 0.00 C ATOM 1111 O TYR A 72 8.098 -0.928 -3.431 1.00 0.00 O ATOM 1112 CB TYR A 72 7.312 -1.087 -6.310 1.00 0.00 C ATOM 1113 CG TYR A 72 6.999 -0.484 -7.661 1.00 0.00 C ATOM 1114 CD1 TYR A 72 7.687 0.635 -8.115 1.00 0.00 C ATOM 1115 CD2 TYR A 72 6.025 -1.034 -8.482 1.00 0.00 C ATOM 1116 CE1 TYR A 72 7.408 1.189 -9.348 1.00 0.00 C ATOM 1117 CE2 TYR A 72 5.742 -0.484 -9.718 1.00 0.00 C ATOM 1118 CZ TYR A 72 6.437 0.626 -10.145 1.00 0.00 C ATOM 1119 OH TYR A 72 6.161 1.175 -11.374 1.00 0.00 O ATOM 0 H TYR A 72 7.607 1.273 -5.126 1.00 0.00 H new ATOM 0 HA TYR A 72 5.449 -0.739 -5.330 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.372 -0.948 -6.099 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.134 -2.161 -6.354 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.451 1.078 -7.494 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.480 -1.905 -8.150 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.949 2.060 -9.686 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.980 -0.922 -10.346 1.00 0.00 H new ATOM 0 HH TYR A 72 5.452 0.659 -11.811 1.00 0.00 H new ATOM 1129 N LEU A 73 6.032 -1.766 -3.217 1.00 0.00 N ATOM 1130 CA LEU A 73 6.194 -2.193 -1.857 1.00 0.00 C ATOM 1131 C LEU A 73 6.043 -3.710 -1.749 1.00 0.00 C ATOM 1132 O LEU A 73 5.210 -4.311 -2.424 1.00 0.00 O ATOM 1133 CB LEU A 73 5.144 -1.460 -1.028 1.00 0.00 C ATOM 1134 CG LEU A 73 5.205 -1.682 0.468 1.00 0.00 C ATOM 1135 CD1 LEU A 73 6.596 -1.387 1.005 1.00 0.00 C ATOM 1136 CD2 LEU A 73 4.168 -0.813 1.163 1.00 0.00 C ATOM 0 H LEU A 73 5.143 -2.038 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 73 7.191 -1.955 -1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.239 -0.391 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.157 -1.761 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 73 4.983 -2.729 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.613 -1.554 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.319 -2.046 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.855 -0.349 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.218 -0.978 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.369 0.236 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.173 -1.074 0.801 1.00 0.00 H new ATOM 1148 N LYS A 74 6.857 -4.328 -0.914 1.00 0.00 N ATOM 1149 CA LYS A 74 6.817 -5.771 -0.741 1.00 0.00 C ATOM 1150 C LYS A 74 6.410 -6.091 0.693 1.00 0.00 C ATOM 1151 O LYS A 74 7.031 -5.602 1.638 1.00 0.00 O ATOM 1152 CB LYS A 74 8.189 -6.375 -1.057 1.00 0.00 C ATOM 1153 CG LYS A 74 8.145 -7.569 -2.004 1.00 0.00 C ATOM 1154 CD LYS A 74 8.645 -8.839 -1.339 1.00 0.00 C ATOM 1155 CE LYS A 74 7.639 -9.382 -0.342 1.00 0.00 C ATOM 1156 NZ LYS A 74 8.220 -10.445 0.517 1.00 0.00 N ATOM 0 H LYS A 74 7.556 -3.853 -0.343 1.00 0.00 H new ATOM 0 HA LYS A 74 6.087 -6.203 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.821 -5.602 -1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.661 -6.683 -0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.123 -7.719 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.752 -7.357 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.847 -9.593 -2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.588 -8.637 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.276 -8.568 0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.777 -9.780 -0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.460 -11.065 0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.899 -11.006 -0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.708 -10.010 1.326 1.00 0.00 H new ATOM 1170 N PRO A 75 5.360 -6.904 0.885 1.00 0.00 N ATOM 1171 CA PRO A 75 4.847 -7.193 2.215 1.00 0.00 C ATOM 1172 C PRO A 75 5.743 -8.146 2.999 1.00 0.00 C ATOM 1173 O PRO A 75 6.716 -8.697 2.477 1.00 0.00 O ATOM 1174 CB PRO A 75 3.479 -7.809 1.952 1.00 0.00 C ATOM 1175 CG PRO A 75 3.557 -8.391 0.586 1.00 0.00 C ATOM 1176 CD PRO A 75 4.605 -7.612 -0.168 1.00 0.00 C ATOM 0 HA PRO A 75 4.802 -6.297 2.833 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.246 -8.575 2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.692 -7.057 2.013 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.821 -9.448 0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.592 -8.325 0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.252 -8.272 -0.746 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.152 -6.913 -0.871 1.00 0.00 H new ATOM 1184 N ARG A 76 5.380 -8.328 4.259 1.00 0.00 N ATOM 1185 CA ARG A 76 6.265 -8.885 5.275 1.00 0.00 C ATOM 1186 C ARG A 76 6.630 -10.334 5.003 1.00 0.00 C ATOM 1187 O ARG A 76 7.754 -10.750 5.283 1.00 0.00 O ATOM 1188 CB ARG A 76 5.595 -8.771 6.637 1.00 0.00 C ATOM 1189 CG ARG A 76 5.014 -7.387 6.897 1.00 0.00 C ATOM 1190 CD ARG A 76 4.093 -7.366 8.105 1.00 0.00 C ATOM 1191 NE ARG A 76 4.806 -7.566 9.362 1.00 0.00 N ATOM 1192 CZ ARG A 76 4.224 -7.989 10.481 1.00 0.00 C ATOM 1193 NH1 ARG A 76 2.950 -8.367 10.471 1.00 0.00 N ATOM 1194 NH2 ARG A 76 4.927 -8.062 11.604 1.00 0.00 N ATOM 0 H ARG A 76 4.452 -8.091 4.611 1.00 0.00 H new ATOM 0 HA ARG A 76 7.193 -8.313 5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.800 -9.513 6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.321 -9.007 7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.827 -6.677 7.050 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.463 -7.056 6.017 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.567 -6.412 8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.337 -8.143 7.994 1.00 0.00 H new ATOM 0 HE ARG A 76 5.807 -7.371 9.384 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.415 -8.333 9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.507 -8.691 11.331 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.911 -7.794 11.608 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.483 -8.386 12.463 1.00 0.00 H new ATOM 1208 N ALA A 77 5.683 -11.102 4.480 1.00 0.00 N ATOM 1209 CA ALA A 77 5.922 -12.507 4.193 1.00 0.00 C ATOM 1210 C ALA A 77 6.903 -12.670 3.042 1.00 0.00 C ATOM 1211 O ALA A 77 6.532 -12.638 1.865 1.00 0.00 O ATOM 1212 CB ALA A 77 4.620 -13.227 3.896 1.00 0.00 C ATOM 0 H ALA A 77 4.745 -10.775 4.247 1.00 0.00 H new ATOM 0 HA ALA A 77 6.366 -12.959 5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.825 -14.276 3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.958 -13.153 4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.140 -12.769 3.031 1.00 0.00 H new ATOM 1218 N VAL A 78 8.167 -12.807 3.397 1.00 0.00 N ATOM 1219 CA VAL A 78 9.225 -13.059 2.425 1.00 0.00 C ATOM 1220 C VAL A 78 8.992 -14.386 1.701 1.00 0.00 C ATOM 1221 O VAL A 78 9.308 -14.526 0.517 1.00 0.00 O ATOM 1222 CB VAL A 78 10.615 -13.076 3.103 1.00 0.00 C ATOM 1223 CG1 VAL A 78 11.723 -13.284 2.078 1.00 0.00 C ATOM 1224 CG2 VAL A 78 10.844 -11.792 3.884 1.00 0.00 C ATOM 0 H VAL A 78 8.493 -12.748 4.362 1.00 0.00 H new ATOM 0 HA VAL A 78 9.201 -12.247 1.698 1.00 0.00 H new ATOM 0 HB VAL A 78 10.639 -13.914 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.689 -13.292 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.573 -14.235 1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.701 -12.474 1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.827 -11.822 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.792 -10.940 3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.077 -11.692 4.652 1.00 0.00 H new ATOM 1234 N LYS A 79 8.399 -15.338 2.410 1.00 0.00 N ATOM 1235 CA LYS A 79 8.149 -16.670 1.865 1.00 0.00 C ATOM 1236 C LYS A 79 7.150 -16.623 0.704 1.00 0.00 C ATOM 1237 O LYS A 79 7.147 -17.505 -0.161 1.00 0.00 O ATOM 1238 CB LYS A 79 7.647 -17.600 2.972 1.00 0.00 C ATOM 1239 CG LYS A 79 7.432 -19.036 2.522 1.00 0.00 C ATOM 1240 CD LYS A 79 7.036 -19.935 3.684 1.00 0.00 C ATOM 1241 CE LYS A 79 5.713 -19.511 4.303 1.00 0.00 C ATOM 1242 NZ LYS A 79 5.317 -20.396 5.428 1.00 0.00 N ATOM 0 H LYS A 79 8.080 -15.213 3.371 1.00 0.00 H new ATOM 0 HA LYS A 79 9.088 -17.059 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.364 -17.591 3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.708 -17.208 3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.656 -19.066 1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.345 -19.415 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.961 -20.965 3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.817 -19.911 4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.792 -18.484 4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.935 -19.524 3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.410 -20.073 5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.216 -21.372 5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.047 -20.364 6.168 1.00 0.00 H new ATOM 1256 N ASN A 80 6.314 -15.585 0.672 1.00 0.00 N ATOM 1257 CA ASN A 80 5.337 -15.423 -0.406 1.00 0.00 C ATOM 1258 C ASN A 80 6.029 -15.227 -1.746 1.00 0.00 C ATOM 1259 O ASN A 80 5.528 -15.675 -2.773 1.00 0.00 O ATOM 1260 CB ASN A 80 4.415 -14.228 -0.162 1.00 0.00 C ATOM 1261 CG ASN A 80 3.261 -14.534 0.766 1.00 0.00 C ATOM 1262 OD1 ASN A 80 2.853 -15.684 0.909 1.00 0.00 O ATOM 1263 ND2 ASN A 80 2.701 -13.503 1.374 1.00 0.00 N ATOM 0 H ASN A 80 6.293 -14.847 1.376 1.00 0.00 H new ATOM 0 HA ASN A 80 4.743 -16.337 -0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.999 -13.408 0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.020 -13.883 -1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.900 -13.647 1.989 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.070 -12.563 1.229 1.00 0.00 H new ATOM 1270 N SER A 81 7.188 -14.557 -1.692 1.00 0.00 N ATOM 1271 CA SER A 81 8.010 -14.207 -2.861 1.00 0.00 C ATOM 1272 C SER A 81 7.243 -13.380 -3.904 1.00 0.00 C ATOM 1273 O SER A 81 7.493 -12.183 -4.064 1.00 0.00 O ATOM 1274 CB SER A 81 8.649 -15.454 -3.508 1.00 0.00 C ATOM 1275 OG SER A 81 7.691 -16.333 -4.079 1.00 0.00 O ATOM 0 H SER A 81 7.591 -14.235 -0.812 1.00 0.00 H new ATOM 0 HA SER A 81 8.813 -13.574 -2.482 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.350 -15.137 -4.280 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.226 -15.992 -2.756 1.00 0.00 H new ATOM 0 HG SER A 81 6.891 -16.357 -3.514 1.00 0.00 H new ATOM 1281 N SER A 82 6.305 -14.011 -4.588 1.00 0.00 N ATOM 1282 CA SER A 82 5.614 -13.395 -5.705 1.00 0.00 C ATOM 1283 C SER A 82 4.345 -12.669 -5.253 1.00 0.00 C ATOM 1284 O SER A 82 3.242 -12.965 -5.712 1.00 0.00 O ATOM 1285 CB SER A 82 5.286 -14.467 -6.741 1.00 0.00 C ATOM 1286 OG SER A 82 6.428 -15.270 -7.003 1.00 0.00 O ATOM 0 H SER A 82 6.002 -14.963 -4.385 1.00 0.00 H new ATOM 0 HA SER A 82 6.267 -12.644 -6.150 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.469 -15.092 -6.380 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.945 -13.997 -7.664 1.00 0.00 H new ATOM 0 HG SER A 82 6.202 -15.954 -7.668 1.00 0.00 H new ATOM 1292 N VAL A 83 4.510 -11.720 -4.347 1.00 0.00 N ATOM 1293 CA VAL A 83 3.421 -10.856 -3.929 1.00 0.00 C ATOM 1294 C VAL A 83 3.952 -9.440 -3.758 1.00 0.00 C ATOM 1295 O VAL A 83 4.991 -9.227 -3.127 1.00 0.00 O ATOM 1296 CB VAL A 83 2.746 -11.342 -2.621 1.00 0.00 C ATOM 1297 CG1 VAL A 83 3.722 -11.322 -1.454 1.00 0.00 C ATOM 1298 CG2 VAL A 83 1.514 -10.503 -2.305 1.00 0.00 C ATOM 0 H VAL A 83 5.398 -11.528 -3.883 1.00 0.00 H new ATOM 0 HA VAL A 83 2.653 -10.881 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 83 2.430 -12.374 -2.775 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.218 -11.668 -0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.565 -11.978 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.084 -10.305 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.056 -10.862 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.806 -9.460 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.798 -10.587 -3.122 1.00 0.00 H new ATOM 1308 N GLN A 84 3.269 -8.480 -4.347 1.00 0.00 N ATOM 1309 CA GLN A 84 3.735 -7.107 -4.328 1.00 0.00 C ATOM 1310 C GLN A 84 2.586 -6.144 -4.114 1.00 0.00 C ATOM 1311 O GLN A 84 1.505 -6.306 -4.682 1.00 0.00 O ATOM 1312 CB GLN A 84 4.451 -6.771 -5.635 1.00 0.00 C ATOM 1313 CG GLN A 84 5.780 -7.491 -5.808 1.00 0.00 C ATOM 1314 CD GLN A 84 6.382 -7.278 -7.181 1.00 0.00 C ATOM 1315 OE1 GLN A 84 7.601 -7.248 -7.342 1.00 0.00 O ATOM 1316 NE2 GLN A 84 5.534 -7.149 -8.182 1.00 0.00 N ATOM 0 H GLN A 84 2.390 -8.624 -4.844 1.00 0.00 H new ATOM 0 HA GLN A 84 4.433 -7.003 -3.497 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.799 -7.024 -6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.622 -5.695 -5.679 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.480 -7.141 -5.050 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.636 -8.558 -5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.530 -7.179 -8.007 1.00 0.00 H new ATOM 0 HE22 GLN A 84 5.882 -7.019 -9.132 1.00 0.00 H new ATOM 1325 N PHE A 85 2.828 -5.146 -3.289 1.00 0.00 N ATOM 1326 CA PHE A 85 1.872 -4.090 -3.069 1.00 0.00 C ATOM 1327 C PHE A 85 2.299 -2.852 -3.830 1.00 0.00 C ATOM 1328 O PHE A 85 3.391 -2.323 -3.636 1.00 0.00 O ATOM 1329 CB PHE A 85 1.725 -3.776 -1.582 1.00 0.00 C ATOM 1330 CG PHE A 85 0.841 -4.749 -0.846 1.00 0.00 C ATOM 1331 CD1 PHE A 85 1.138 -6.103 -0.825 1.00 0.00 C ATOM 1332 CD2 PHE A 85 -0.289 -4.307 -0.177 1.00 0.00 C ATOM 1333 CE1 PHE A 85 0.325 -6.995 -0.155 1.00 0.00 C ATOM 1334 CE2 PHE A 85 -1.106 -5.195 0.496 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.798 -6.542 0.507 1.00 0.00 C ATOM 0 H PHE A 85 3.692 -5.048 -2.755 1.00 0.00 H new ATOM 0 HA PHE A 85 0.900 -4.422 -3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.712 -3.774 -1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.318 -2.771 -1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.016 -6.464 -1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.534 -3.255 -0.182 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.568 -8.047 -0.149 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.984 -4.837 1.013 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.435 -7.239 1.032 1.00 0.00 H new ATOM 1345 N HIS A 86 1.442 -2.409 -4.708 1.00 0.00 N ATOM 1346 CA HIS A 86 1.718 -1.254 -5.527 1.00 0.00 C ATOM 1347 C HIS A 86 0.849 -0.104 -5.055 1.00 0.00 C ATOM 1348 O HIS A 86 -0.348 -0.063 -5.344 1.00 0.00 O ATOM 1349 CB HIS A 86 1.432 -1.598 -6.995 1.00 0.00 C ATOM 1350 CG HIS A 86 1.711 -0.493 -7.967 1.00 0.00 C ATOM 1351 ND1 HIS A 86 0.970 -0.304 -9.113 1.00 0.00 N ATOM 1352 CD2 HIS A 86 2.670 0.463 -7.982 1.00 0.00 C ATOM 1353 CE1 HIS A 86 1.459 0.712 -9.791 1.00 0.00 C ATOM 1354 NE2 HIS A 86 2.488 1.195 -9.127 1.00 0.00 N ATOM 0 H HIS A 86 0.532 -2.836 -4.878 1.00 0.00 H new ATOM 0 HA HIS A 86 2.764 -0.961 -5.442 1.00 0.00 H new ATOM 0 HB2 HIS A 86 2.030 -2.466 -7.273 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.386 -1.888 -7.088 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.433 0.619 -7.234 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.081 1.086 -10.731 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.059 1.988 -9.418 1.00 0.00 H new ATOM 1363 N VAL A 87 1.435 0.826 -4.320 1.00 0.00 N ATOM 1364 CA VAL A 87 0.649 1.912 -3.781 1.00 0.00 C ATOM 1365 C VAL A 87 0.785 3.129 -4.674 1.00 0.00 C ATOM 1366 O VAL A 87 1.888 3.575 -4.995 1.00 0.00 O ATOM 1367 CB VAL A 87 1.003 2.255 -2.310 1.00 0.00 C ATOM 1368 CG1 VAL A 87 2.330 2.966 -2.192 1.00 0.00 C ATOM 1369 CG2 VAL A 87 -0.101 3.084 -1.674 1.00 0.00 C ATOM 0 H VAL A 87 2.428 0.849 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.390 1.583 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 87 1.093 1.310 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.534 3.185 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.120 2.330 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.295 3.898 -2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.165 3.315 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.227 4.012 -2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.034 2.521 -1.690 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.345 3.617 -5.126 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.379 4.737 -6.024 1.00 0.00 C ATOM 1381 C ILE A 88 -0.996 5.939 -5.343 1.00 0.00 C ATOM 1382 O ILE A 88 -2.013 5.829 -4.661 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.172 4.390 -7.290 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.544 3.185 -7.984 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.219 5.577 -8.229 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.345 2.681 -9.160 1.00 0.00 C ATOM 0 H ILE A 88 -1.263 3.247 -4.880 1.00 0.00 H new ATOM 0 HA ILE A 88 0.645 4.978 -6.308 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.194 4.139 -7.006 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.456 3.453 -8.324 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.429 2.378 -7.260 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.786 5.312 -9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.701 6.417 -7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.204 5.857 -8.513 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.839 1.824 -9.604 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.337 2.382 -8.823 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.438 3.473 -9.903 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.370 7.073 -5.534 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.797 8.305 -4.930 1.00 0.00 C ATOM 1400 C PHE A 89 -1.504 9.173 -5.952 1.00 0.00 C ATOM 1401 O PHE A 89 -0.890 9.625 -6.920 1.00 0.00 O ATOM 1402 CB PHE A 89 0.403 9.041 -4.365 1.00 0.00 C ATOM 1403 CG PHE A 89 1.020 8.280 -3.248 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.323 8.110 -2.070 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.266 7.700 -3.385 1.00 0.00 C ATOM 1406 CE1 PHE A 89 0.853 7.375 -1.046 1.00 0.00 C ATOM 1407 CE2 PHE A 89 2.809 6.967 -2.353 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.094 6.805 -1.184 1.00 0.00 C ATOM 0 H PHE A 89 0.460 7.165 -6.120 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.493 8.081 -4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.140 9.199 -5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.097 10.026 -4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.651 8.562 -1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.817 7.822 -4.306 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.296 7.243 -0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.788 6.522 -2.458 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.513 6.227 -0.374 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.790 9.379 -5.766 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.524 10.293 -6.620 1.00 0.00 C ATOM 1420 C ASP A 90 -3.212 11.717 -6.204 1.00 0.00 C ATOM 1421 O ASP A 90 -3.447 12.102 -5.056 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.029 10.035 -6.553 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.418 8.707 -7.169 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -5.455 8.611 -8.415 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -5.694 7.753 -6.412 1.00 0.00 O ATOM 0 H ASP A 90 -3.347 8.931 -5.038 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.213 10.133 -7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.352 10.058 -5.512 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.555 10.839 -7.068 1.00 0.00 H new ATOM 1430 N GLU A 91 -2.680 12.494 -7.131 1.00 0.00 N ATOM 1431 CA GLU A 91 -2.218 13.831 -6.810 1.00 0.00 C ATOM 1432 C GLU A 91 -3.382 14.808 -6.800 1.00 0.00 C ATOM 1433 O GLU A 91 -4.135 14.922 -7.768 1.00 0.00 O ATOM 1434 CB GLU A 91 -1.111 14.300 -7.772 1.00 0.00 C ATOM 1435 CG GLU A 91 -1.484 14.283 -9.251 1.00 0.00 C ATOM 1436 CD GLU A 91 -1.523 12.890 -9.844 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -0.447 12.333 -10.131 1.00 0.00 O ATOM 1438 OE2 GLU A 91 -2.633 12.352 -10.037 1.00 0.00 O ATOM 0 H GLU A 91 -2.558 12.223 -8.107 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.783 13.800 -5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.821 15.314 -7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -0.235 13.668 -7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.460 14.752 -9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.766 14.887 -9.806 1.00 0.00 H new