USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=17 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 36 MET CE :methyl 179:sc= -0.677 (180deg=-0.681) USER MOD Set 1.2: A 40 ASN : amide:sc= 0.197 K(o=-0.48,f=-1.6) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -0.384 F(o=-1.2,f=-0.38) USER MOD Single : A 19 LYS NZ :NH3+ 169:sc= -0.0465 (180deg=-0.296) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.61) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.138 F(o=-1.2,f=-0.14) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0758) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 160:sc= -0.0303 (180deg=-0.264) USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= -0.0314 (180deg=-0.237) USER MOD Single : A 57 CYS SG : rot 81:sc= 0.151 USER MOD Single : A 59 HIS : no HD1:sc= -0.0867 X(o=-0.087,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.217 F(o=-2.5,f=-0.22) USER MOD Single : A 67 LYS NZ :NH3+ -172:sc=-0.00391 (180deg=-0.0742) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -167:sc= 0.658 (180deg=0.519) USER MOD Single : A 79 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0289) USER MOD Single : A 80 ASN : amide:sc= -0.0673 X(o=-0.067,f=-0.4) USER MOD Single : A 81 SER OG : rot 65:sc= 0.138 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 86 HIS : no HD1:sc= 0.702 K(o=0.7,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 10 0.911 -11.672 -8.374 1.00 0.00 N ATOM 115 CA VAL A 10 -0.241 -10.854 -8.020 1.00 0.00 C ATOM 116 C VAL A 10 0.196 -9.615 -7.250 1.00 0.00 C ATOM 117 O VAL A 10 0.890 -9.715 -6.239 1.00 0.00 O ATOM 118 CB VAL A 10 -1.258 -11.646 -7.166 1.00 0.00 C ATOM 119 CG1 VAL A 10 -2.414 -10.756 -6.731 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.776 -12.860 -7.925 1.00 0.00 C ATOM 0 HA VAL A 10 -0.722 -10.556 -8.952 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.742 -11.996 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.115 -11.337 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.031 -9.926 -6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.925 -10.367 -7.612 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.490 -13.401 -7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.267 -12.534 -8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.942 -13.516 -8.174 1.00 0.00 H new ATOM 130 N ASP A 11 -0.201 -8.449 -7.734 1.00 0.00 N ATOM 131 CA ASP A 11 0.078 -7.207 -7.032 1.00 0.00 C ATOM 132 C ASP A 11 -1.224 -6.502 -6.683 1.00 0.00 C ATOM 133 O ASP A 11 -2.132 -6.395 -7.508 1.00 0.00 O ATOM 134 CB ASP A 11 0.986 -6.284 -7.858 1.00 0.00 C ATOM 135 CG ASP A 11 0.328 -5.754 -9.117 1.00 0.00 C ATOM 136 OD1 ASP A 11 0.309 -6.482 -10.131 1.00 0.00 O ATOM 137 OD2 ASP A 11 -0.146 -4.595 -9.110 1.00 0.00 O ATOM 0 H ASP A 11 -0.716 -8.337 -8.607 1.00 0.00 H new ATOM 0 HA ASP A 11 0.609 -7.451 -6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.295 -5.443 -7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.890 -6.828 -8.132 1.00 0.00 H new ATOM 142 N VAL A 12 -1.324 -6.060 -5.445 1.00 0.00 N ATOM 143 CA VAL A 12 -2.489 -5.326 -4.986 1.00 0.00 C ATOM 144 C VAL A 12 -2.214 -3.835 -5.077 1.00 0.00 C ATOM 145 O VAL A 12 -1.283 -3.333 -4.450 1.00 0.00 O ATOM 146 CB VAL A 12 -2.854 -5.703 -3.534 1.00 0.00 C ATOM 147 CG1 VAL A 12 -4.084 -4.941 -3.070 1.00 0.00 C ATOM 148 CG2 VAL A 12 -3.071 -7.203 -3.411 1.00 0.00 C ATOM 0 H VAL A 12 -0.607 -6.197 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.333 -5.588 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.021 -5.423 -2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.322 -5.223 -2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.887 -3.870 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.927 -5.182 -3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.327 -7.450 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.883 -7.508 -4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.158 -7.727 -3.693 1.00 0.00 H new ATOM 158 N GLU A 13 -3.011 -3.127 -5.860 1.00 0.00 N ATOM 159 CA GLU A 13 -2.767 -1.722 -6.106 1.00 0.00 C ATOM 160 C GLU A 13 -3.703 -0.858 -5.279 1.00 0.00 C ATOM 161 O GLU A 13 -4.919 -0.866 -5.471 1.00 0.00 O ATOM 162 CB GLU A 13 -2.904 -1.407 -7.597 1.00 0.00 C ATOM 163 CG GLU A 13 -4.135 -2.015 -8.244 1.00 0.00 C ATOM 164 CD GLU A 13 -4.223 -1.709 -9.720 1.00 0.00 C ATOM 165 OE1 GLU A 13 -3.478 -2.332 -10.507 1.00 0.00 O ATOM 166 OE2 GLU A 13 -5.034 -0.845 -10.103 1.00 0.00 O ATOM 0 H GLU A 13 -3.831 -3.505 -6.334 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.746 -1.493 -5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.933 -0.325 -7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.017 -1.767 -8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.121 -3.095 -8.100 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.028 -1.639 -7.744 1.00 0.00 H new ATOM 173 N ILE A 14 -3.125 -0.126 -4.348 1.00 0.00 N ATOM 174 CA ILE A 14 -3.889 0.756 -3.493 1.00 0.00 C ATOM 175 C ILE A 14 -3.659 2.196 -3.930 1.00 0.00 C ATOM 176 O ILE A 14 -2.555 2.549 -4.339 1.00 0.00 O ATOM 177 CB ILE A 14 -3.485 0.605 -2.007 1.00 0.00 C ATOM 178 CG1 ILE A 14 -3.205 -0.869 -1.673 1.00 0.00 C ATOM 179 CG2 ILE A 14 -4.590 1.151 -1.115 1.00 0.00 C ATOM 180 CD1 ILE A 14 -2.658 -1.092 -0.276 1.00 0.00 C ATOM 0 H ILE A 14 -2.122 -0.126 -4.165 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.942 0.489 -3.585 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.573 1.174 -1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.128 -1.438 -1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.495 -1.267 -2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.301 1.042 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.751 2.205 -1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.511 0.597 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.487 -2.157 -0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.718 -0.553 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.376 -0.727 0.458 1.00 0.00 H new ATOM 192 N HIS A 15 -4.692 3.017 -3.871 1.00 0.00 N ATOM 193 CA HIS A 15 -4.562 4.411 -4.267 1.00 0.00 C ATOM 194 C HIS A 15 -4.729 5.327 -3.063 1.00 0.00 C ATOM 195 O HIS A 15 -5.805 5.416 -2.479 1.00 0.00 O ATOM 196 CB HIS A 15 -5.581 4.760 -5.355 1.00 0.00 C ATOM 197 CG HIS A 15 -5.360 4.018 -6.640 1.00 0.00 C ATOM 198 ND1 HIS A 15 -4.526 4.269 -7.677 1.00 0.00 N flip ATOM 199 CD2 HIS A 15 -6.037 2.866 -6.967 1.00 0.00 C flip ATOM 200 CE1 HIS A 15 -4.713 3.269 -8.604 1.00 0.00 C flip ATOM 201 NE2 HIS A 15 -5.629 2.435 -8.144 1.00 0.00 N flip ATOM 0 H HIS A 15 -5.624 2.747 -3.556 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.562 4.559 -4.675 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.583 4.542 -4.986 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.539 5.831 -5.551 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.787 2.388 -6.354 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -4.198 3.181 -9.549 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.964 1.598 -8.620 1.00 0.00 H new ATOM 210 N PHE A 16 -3.651 5.992 -2.689 1.00 0.00 N ATOM 211 CA PHE A 16 -3.655 6.884 -1.544 1.00 0.00 C ATOM 212 C PHE A 16 -3.686 8.334 -1.998 1.00 0.00 C ATOM 213 O PHE A 16 -2.790 8.778 -2.709 1.00 0.00 O ATOM 214 CB PHE A 16 -2.408 6.668 -0.680 1.00 0.00 C ATOM 215 CG PHE A 16 -2.400 5.407 0.141 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.526 4.607 0.253 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.252 5.039 0.823 1.00 0.00 C ATOM 218 CE1 PHE A 16 -3.500 3.464 1.026 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.224 3.900 1.599 1.00 0.00 C ATOM 220 CZ PHE A 16 -2.349 3.112 1.700 1.00 0.00 C ATOM 0 H PHE A 16 -2.752 5.930 -3.168 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.546 6.662 -0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.533 6.663 -1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.301 7.519 -0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.431 4.880 -0.269 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.367 5.653 0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.381 2.845 1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.322 3.626 2.126 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.330 2.219 2.307 1.00 0.00 H new ATOM 230 N PRO A 17 -4.715 9.095 -1.599 1.00 0.00 N ATOM 231 CA PRO A 17 -4.774 10.528 -1.879 1.00 0.00 C ATOM 232 C PRO A 17 -3.572 11.255 -1.279 1.00 0.00 C ATOM 233 O PRO A 17 -3.391 11.291 -0.056 1.00 0.00 O ATOM 234 CB PRO A 17 -6.076 10.979 -1.208 1.00 0.00 C ATOM 235 CG PRO A 17 -6.887 9.738 -1.073 1.00 0.00 C ATOM 236 CD PRO A 17 -5.901 8.622 -0.870 1.00 0.00 C ATOM 0 HA PRO A 17 -4.751 10.748 -2.946 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.883 11.433 -0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.593 11.725 -1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.574 9.810 -0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.492 9.568 -1.964 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.687 8.459 0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.271 7.678 -1.270 1.00 0.00 H new ATOM 244 N LEU A 18 -2.768 11.829 -2.178 1.00 0.00 N ATOM 245 CA LEU A 18 -1.484 12.468 -1.863 1.00 0.00 C ATOM 246 C LEU A 18 -1.601 13.397 -0.659 1.00 0.00 C ATOM 247 O LEU A 18 -0.753 13.391 0.228 1.00 0.00 O ATOM 248 CB LEU A 18 -1.019 13.259 -3.107 1.00 0.00 C ATOM 249 CG LEU A 18 0.449 13.735 -3.158 1.00 0.00 C ATOM 250 CD1 LEU A 18 0.747 14.794 -2.109 1.00 0.00 C ATOM 251 CD2 LEU A 18 1.402 12.563 -3.012 1.00 0.00 C ATOM 0 H LEU A 18 -2.997 11.864 -3.171 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.755 11.700 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.199 12.637 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.658 14.137 -3.202 1.00 0.00 H new ATOM 0 HG LEU A 18 0.600 14.193 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.791 15.097 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.105 15.660 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.558 14.386 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.430 12.923 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.227 12.068 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.235 11.855 -3.823 1.00 0.00 H new ATOM 263 N LYS A 19 -2.671 14.168 -0.633 1.00 0.00 N ATOM 264 CA LYS A 19 -2.841 15.222 0.355 1.00 0.00 C ATOM 265 C LYS A 19 -3.091 14.665 1.752 1.00 0.00 C ATOM 266 O LYS A 19 -2.599 15.208 2.740 1.00 0.00 O ATOM 267 CB LYS A 19 -4.004 16.114 -0.067 1.00 0.00 C ATOM 268 CG LYS A 19 -3.839 16.695 -1.461 1.00 0.00 C ATOM 269 CD LYS A 19 -5.156 17.210 -2.016 1.00 0.00 C ATOM 270 CE LYS A 19 -5.714 18.360 -1.210 1.00 0.00 C ATOM 271 NZ LYS A 19 -4.726 19.456 -1.030 1.00 0.00 N ATOM 0 H LYS A 19 -3.445 14.084 -1.292 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.917 15.798 0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.928 15.537 -0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.106 16.929 0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.114 17.508 -1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.437 15.932 -2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.011 17.530 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.882 16.397 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.601 18.752 -1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.031 17.996 -0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.203 20.293 -0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.979 19.146 -0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.304 19.697 -1.949 1.00 0.00 H new ATOM 285 N ARG A 20 -3.837 13.572 1.834 1.00 0.00 N ATOM 286 CA ARG A 20 -4.242 13.041 3.130 1.00 0.00 C ATOM 287 C ARG A 20 -3.202 12.064 3.678 1.00 0.00 C ATOM 288 O ARG A 20 -3.048 11.926 4.892 1.00 0.00 O ATOM 289 CB ARG A 20 -5.623 12.375 3.031 1.00 0.00 C ATOM 290 CG ARG A 20 -5.625 11.057 2.278 1.00 0.00 C ATOM 291 CD ARG A 20 -5.553 9.885 3.236 1.00 0.00 C ATOM 292 NE ARG A 20 -4.931 8.713 2.637 1.00 0.00 N ATOM 293 CZ ARG A 20 -3.992 7.993 3.238 1.00 0.00 C ATOM 294 NH1 ARG A 20 -3.547 8.347 4.440 1.00 0.00 N ATOM 295 NH2 ARG A 20 -3.493 6.922 2.639 1.00 0.00 N ATOM 0 H ARG A 20 -4.171 13.041 1.030 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.312 13.874 3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.006 12.206 4.038 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.311 13.063 2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.528 10.981 1.672 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.778 11.024 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.990 10.178 4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.559 9.629 3.568 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.233 8.430 1.705 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.927 9.173 4.902 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.825 7.792 4.900 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.830 6.650 1.716 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.771 6.369 3.101 1.00 0.00 H new ATOM 309 N ILE A 21 -2.479 11.379 2.795 1.00 0.00 N ATOM 310 CA ILE A 21 -1.460 10.440 3.244 1.00 0.00 C ATOM 311 C ILE A 21 -0.244 11.211 3.752 1.00 0.00 C ATOM 312 O ILE A 21 0.507 10.729 4.596 1.00 0.00 O ATOM 313 CB ILE A 21 -1.039 9.438 2.133 1.00 0.00 C ATOM 314 CG1 ILE A 21 0.014 8.439 2.647 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.510 10.174 0.911 1.00 0.00 C ATOM 316 CD1 ILE A 21 -0.400 7.672 3.885 1.00 0.00 C ATOM 0 H ILE A 21 -2.578 11.455 1.783 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.891 9.849 4.052 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.928 8.877 1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.240 7.727 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.936 8.980 2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.222 9.451 0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.287 10.829 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.358 10.770 1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.401 6.992 4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.596 8.371 4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.303 7.099 3.673 1.00 0.00 H new ATOM 328 N ALA A 22 -0.081 12.427 3.245 1.00 0.00 N ATOM 329 CA ALA A 22 0.990 13.308 3.690 1.00 0.00 C ATOM 330 C ALA A 22 0.567 14.083 4.931 1.00 0.00 C ATOM 331 O ALA A 22 1.235 15.032 5.343 1.00 0.00 O ATOM 332 CB ALA A 22 1.380 14.271 2.578 1.00 0.00 C ATOM 0 H ALA A 22 -0.680 12.826 2.522 1.00 0.00 H new ATOM 0 HA ALA A 22 1.855 12.695 3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.181 14.923 2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.722 13.706 1.711 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.516 14.875 2.300 1.00 0.00 H new ATOM 338 N ALA A 23 -0.542 13.669 5.524 1.00 0.00 N ATOM 339 CA ALA A 23 -1.091 14.355 6.676 1.00 0.00 C ATOM 340 C ALA A 23 -1.207 13.412 7.861 1.00 0.00 C ATOM 341 O ALA A 23 -0.979 12.205 7.743 1.00 0.00 O ATOM 342 CB ALA A 23 -2.455 14.930 6.339 1.00 0.00 C ATOM 0 H ALA A 23 -1.080 12.857 5.222 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.415 15.167 6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.859 15.444 7.211 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.358 15.636 5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.128 14.123 6.049 1.00 0.00 H new ATOM 348 N GLU A 24 -1.580 13.971 8.996 1.00 0.00 N ATOM 349 CA GLU A 24 -1.803 13.199 10.197 1.00 0.00 C ATOM 350 C GLU A 24 -3.264 13.313 10.583 1.00 0.00 C ATOM 351 O GLU A 24 -3.888 14.359 10.392 1.00 0.00 O ATOM 352 CB GLU A 24 -0.882 13.655 11.334 1.00 0.00 C ATOM 353 CG GLU A 24 -0.874 15.157 11.572 1.00 0.00 C ATOM 354 CD GLU A 24 0.054 15.552 12.701 1.00 0.00 C ATOM 355 OE1 GLU A 24 1.261 15.742 12.446 1.00 0.00 O ATOM 356 OE2 GLU A 24 -0.418 15.658 13.852 1.00 0.00 O ATOM 0 H GLU A 24 -1.736 14.973 9.109 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.562 12.153 10.006 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.186 13.155 12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.135 13.329 11.115 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.569 15.666 10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.886 15.492 11.801 1.00 0.00 H new ATOM 363 N GLY A 25 -3.808 12.236 11.107 1.00 0.00 N ATOM 364 CA GLY A 25 -5.239 12.141 11.281 1.00 0.00 C ATOM 365 C GLY A 25 -5.845 11.381 10.125 1.00 0.00 C ATOM 366 O GLY A 25 -7.030 11.514 9.821 1.00 0.00 O ATOM 0 H GLY A 25 -3.283 11.418 11.418 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.468 11.637 12.220 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.674 13.138 11.341 1.00 0.00 H new ATOM 370 N TYR A 26 -5.001 10.571 9.480 1.00 0.00 N ATOM 371 CA TYR A 26 -5.391 9.794 8.311 1.00 0.00 C ATOM 372 C TYR A 26 -6.536 8.833 8.628 1.00 0.00 C ATOM 373 O TYR A 26 -7.217 8.351 7.726 1.00 0.00 O ATOM 374 CB TYR A 26 -4.191 9.005 7.764 1.00 0.00 C ATOM 375 CG TYR A 26 -3.499 8.138 8.797 1.00 0.00 C ATOM 376 CD1 TYR A 26 -2.457 8.639 9.568 1.00 0.00 C ATOM 377 CD2 TYR A 26 -3.893 6.821 9.003 1.00 0.00 C ATOM 378 CE1 TYR A 26 -1.828 7.850 10.512 1.00 0.00 C ATOM 379 CE2 TYR A 26 -3.268 6.028 9.948 1.00 0.00 C ATOM 380 CZ TYR A 26 -2.238 6.547 10.699 1.00 0.00 C ATOM 381 OH TYR A 26 -1.615 5.763 11.643 1.00 0.00 O ATOM 0 H TYR A 26 -4.028 10.439 9.758 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.737 10.498 7.555 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.529 8.373 6.942 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.467 9.706 7.350 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.134 9.660 9.427 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.701 6.410 8.415 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.018 8.253 11.102 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.587 5.007 10.096 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.024 4.872 11.650 1.00 0.00 H new ATOM 391 N ALA A 27 -6.737 8.558 9.912 1.00 0.00 N ATOM 392 CA ALA A 27 -7.809 7.672 10.352 1.00 0.00 C ATOM 393 C ALA A 27 -9.175 8.273 10.044 1.00 0.00 C ATOM 394 O ALA A 27 -10.180 7.564 9.987 1.00 0.00 O ATOM 395 CB ALA A 27 -7.682 7.387 11.841 1.00 0.00 C ATOM 0 H ALA A 27 -6.169 8.938 10.669 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.719 6.734 9.805 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.489 6.725 12.155 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.722 6.909 12.040 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.744 8.322 12.397 1.00 0.00 H new ATOM 401 N GLU A 28 -9.207 9.584 9.839 1.00 0.00 N ATOM 402 CA GLU A 28 -10.447 10.278 9.540 1.00 0.00 C ATOM 403 C GLU A 28 -10.675 10.364 8.034 1.00 0.00 C ATOM 404 O GLU A 28 -11.667 10.937 7.581 1.00 0.00 O ATOM 405 CB GLU A 28 -10.437 11.675 10.161 1.00 0.00 C ATOM 406 CG GLU A 28 -10.280 11.654 11.671 1.00 0.00 C ATOM 407 CD GLU A 28 -10.346 13.030 12.292 1.00 0.00 C ATOM 408 OE1 GLU A 28 -9.295 13.697 12.389 1.00 0.00 O ATOM 409 OE2 GLU A 28 -11.449 13.448 12.709 1.00 0.00 O ATOM 0 H GLU A 28 -8.385 10.187 9.875 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.269 9.709 9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.623 12.254 9.725 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.365 12.187 9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.061 11.029 12.103 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.326 11.192 11.925 1.00 0.00 H new ATOM 416 N ASP A 29 -9.760 9.791 7.260 1.00 0.00 N ATOM 417 CA ASP A 29 -9.922 9.740 5.814 1.00 0.00 C ATOM 418 C ASP A 29 -10.756 8.524 5.441 1.00 0.00 C ATOM 419 O ASP A 29 -10.262 7.393 5.445 1.00 0.00 O ATOM 420 CB ASP A 29 -8.574 9.667 5.089 1.00 0.00 C ATOM 421 CG ASP A 29 -8.747 9.805 3.589 1.00 0.00 C ATOM 422 OD1 ASP A 29 -9.166 10.887 3.129 1.00 0.00 O ATOM 423 OD2 ASP A 29 -8.453 8.836 2.865 1.00 0.00 O ATOM 0 H ASP A 29 -8.904 9.358 7.608 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.422 10.657 5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.918 10.457 5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.088 8.718 5.315 1.00 0.00 H new ATOM 428 N GLU A 30 -12.017 8.759 5.104 1.00 0.00 N ATOM 429 CA GLU A 30 -12.939 7.675 4.808 1.00 0.00 C ATOM 430 C GLU A 30 -12.474 6.927 3.572 1.00 0.00 C ATOM 431 O GLU A 30 -12.720 5.727 3.423 1.00 0.00 O ATOM 432 CB GLU A 30 -14.354 8.211 4.603 1.00 0.00 C ATOM 433 CG GLU A 30 -15.363 7.134 4.242 1.00 0.00 C ATOM 434 CD GLU A 30 -16.763 7.674 4.094 1.00 0.00 C ATOM 435 OE1 GLU A 30 -17.021 8.421 3.124 1.00 0.00 O ATOM 436 OE2 GLU A 30 -17.619 7.348 4.940 1.00 0.00 O ATOM 0 H GLU A 30 -12.423 9.692 5.029 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.955 6.989 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.680 8.712 5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.339 8.963 3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.061 6.657 3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.355 6.362 5.012 1.00 0.00 H new ATOM 443 N LEU A 31 -11.776 7.645 2.705 1.00 0.00 N ATOM 444 CA LEU A 31 -11.231 7.072 1.500 1.00 0.00 C ATOM 445 C LEU A 31 -10.231 5.985 1.845 1.00 0.00 C ATOM 446 O LEU A 31 -10.248 4.904 1.267 1.00 0.00 O ATOM 447 CB LEU A 31 -10.552 8.165 0.680 1.00 0.00 C ATOM 448 CG LEU A 31 -11.184 8.431 -0.680 1.00 0.00 C ATOM 449 CD1 LEU A 31 -10.515 9.611 -1.359 1.00 0.00 C ATOM 450 CD2 LEU A 31 -11.078 7.189 -1.537 1.00 0.00 C ATOM 0 H LEU A 31 -11.576 8.638 2.823 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.038 6.631 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.561 9.090 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.507 7.892 0.532 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.237 8.679 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.981 9.785 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.627 10.500 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.455 9.398 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.530 7.379 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.028 6.927 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.599 6.365 -1.049 1.00 0.00 H new ATOM 462 N LEU A 32 -9.401 6.267 2.830 1.00 0.00 N ATOM 463 CA LEU A 32 -8.355 5.369 3.236 1.00 0.00 C ATOM 464 C LEU A 32 -8.933 4.147 3.935 1.00 0.00 C ATOM 465 O LEU A 32 -8.504 3.019 3.694 1.00 0.00 O ATOM 466 CB LEU A 32 -7.402 6.121 4.159 1.00 0.00 C ATOM 467 CG LEU A 32 -6.302 5.282 4.776 1.00 0.00 C ATOM 468 CD1 LEU A 32 -5.459 4.636 3.692 1.00 0.00 C ATOM 469 CD2 LEU A 32 -5.446 6.126 5.703 1.00 0.00 C ATOM 0 H LEU A 32 -9.439 7.132 3.370 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.813 5.016 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.944 6.934 3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.983 6.576 4.961 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.758 4.489 5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.673 4.037 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.089 3.996 3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.009 5.411 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.661 5.507 6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.994 6.942 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.067 6.536 6.499 1.00 0.00 H new ATOM 481 N LEU A 33 -9.923 4.379 4.781 1.00 0.00 N ATOM 482 CA LEU A 33 -10.520 3.318 5.570 1.00 0.00 C ATOM 483 C LEU A 33 -11.278 2.316 4.704 1.00 0.00 C ATOM 484 O LEU A 33 -11.106 1.106 4.853 1.00 0.00 O ATOM 485 CB LEU A 33 -11.438 3.916 6.622 1.00 0.00 C ATOM 486 CG LEU A 33 -10.818 4.063 8.015 1.00 0.00 C ATOM 487 CD1 LEU A 33 -10.489 2.698 8.606 1.00 0.00 C ATOM 488 CD2 LEU A 33 -9.570 4.934 7.963 1.00 0.00 C ATOM 0 H LEU A 33 -10.332 5.300 4.938 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.714 2.771 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.765 4.898 6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.329 3.293 6.701 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.550 4.550 8.659 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.050 2.826 9.595 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.401 2.107 8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.780 2.182 7.958 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.147 5.024 8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.836 4.478 7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.832 5.924 7.590 1.00 0.00 H new ATOM 500 N ASN A 34 -12.096 2.808 3.782 1.00 0.00 N ATOM 501 CA ASN A 34 -12.872 1.911 2.931 1.00 0.00 C ATOM 502 C ASN A 34 -11.959 1.236 1.914 1.00 0.00 C ATOM 503 O ASN A 34 -12.174 0.086 1.540 1.00 0.00 O ATOM 504 CB ASN A 34 -14.029 2.642 2.226 1.00 0.00 C ATOM 505 CG ASN A 34 -13.623 3.342 0.938 1.00 0.00 C ATOM 506 OD1 ASN A 34 -13.643 2.749 -0.138 1.00 0.00 O ATOM 507 ND2 ASN A 34 -13.273 4.610 1.030 1.00 0.00 N ATOM 0 H ASN A 34 -12.239 3.802 3.605 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.319 1.149 3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.818 1.923 2.004 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.451 3.378 2.910 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -13.008 5.128 0.192 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.267 5.073 1.939 1.00 0.00 H new ATOM 514 N GLN A 35 -10.922 1.953 1.494 1.00 0.00 N ATOM 515 CA GLN A 35 -9.943 1.421 0.558 1.00 0.00 C ATOM 516 C GLN A 35 -9.167 0.277 1.205 1.00 0.00 C ATOM 517 O GLN A 35 -9.004 -0.803 0.621 1.00 0.00 O ATOM 518 CB GLN A 35 -8.994 2.547 0.164 1.00 0.00 C ATOM 519 CG GLN A 35 -8.640 2.592 -1.306 1.00 0.00 C ATOM 520 CD GLN A 35 -8.435 4.015 -1.799 1.00 0.00 C ATOM 521 OE1 GLN A 35 -8.124 4.931 -0.885 1.00 0.00 O flip ATOM 522 NE2 GLN A 35 -8.599 4.299 -2.985 1.00 0.00 N flip ATOM 0 H GLN A 35 -10.739 2.911 1.791 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.445 1.032 -0.328 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.446 3.499 0.444 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.075 2.448 0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.732 2.014 -1.478 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.433 2.119 -1.885 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.837 3.569 -3.656 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.497 5.265 -3.297 1.00 0.00 H new ATOM 531 N MET A 36 -8.745 0.504 2.447 1.00 0.00 N ATOM 532 CA MET A 36 -8.022 -0.505 3.206 1.00 0.00 C ATOM 533 C MET A 36 -8.990 -1.352 4.016 1.00 0.00 C ATOM 534 O MET A 36 -8.598 -2.055 4.947 1.00 0.00 O ATOM 535 CB MET A 36 -6.976 0.133 4.120 1.00 0.00 C ATOM 536 CG MET A 36 -5.900 0.895 3.367 1.00 0.00 C ATOM 537 SD MET A 36 -5.200 -0.047 1.994 1.00 0.00 S ATOM 538 CE MET A 36 -4.555 -1.491 2.828 1.00 0.00 C ATOM 0 H MET A 36 -8.893 1.381 2.947 1.00 0.00 H new ATOM 0 HA MET A 36 -7.500 -1.148 2.498 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.475 0.812 4.812 1.00 0.00 H new ATOM 0 HB3 MET A 36 -6.506 -0.646 4.721 1.00 0.00 H new ATOM 0 HG2 MET A 36 -6.321 1.825 2.985 1.00 0.00 H new ATOM 0 HG3 MET A 36 -5.102 1.166 4.059 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.111 -2.166 2.096 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.796 -1.186 3.548 1.00 0.00 H new ATOM 0 HE3 MET A 36 -5.365 -2.003 3.349 1.00 0.00 H new ATOM 548 N GLY A 37 -10.264 -1.210 3.707 1.00 0.00 N ATOM 549 CA GLY A 37 -11.236 -2.194 4.108 1.00 0.00 C ATOM 550 C GLY A 37 -11.476 -3.178 2.986 1.00 0.00 C ATOM 551 O GLY A 37 -11.717 -4.360 3.220 1.00 0.00 O ATOM 0 H GLY A 37 -10.644 -0.423 3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.886 -2.721 4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.171 -1.703 4.377 1.00 0.00 H new ATOM 555 N LYS A 38 -11.385 -2.673 1.759 1.00 0.00 N ATOM 556 CA LYS A 38 -11.558 -3.486 0.563 1.00 0.00 C ATOM 557 C LYS A 38 -10.372 -4.409 0.339 1.00 0.00 C ATOM 558 O LYS A 38 -10.451 -5.608 0.610 1.00 0.00 O ATOM 559 CB LYS A 38 -11.736 -2.598 -0.666 1.00 0.00 C ATOM 560 CG LYS A 38 -13.058 -1.848 -0.710 1.00 0.00 C ATOM 561 CD LYS A 38 -14.242 -2.802 -0.679 1.00 0.00 C ATOM 562 CE LYS A 38 -15.553 -2.081 -0.955 1.00 0.00 C ATOM 563 NZ LYS A 38 -15.779 -0.948 -0.020 1.00 0.00 N ATOM 0 H LYS A 38 -11.190 -1.690 1.568 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.451 -4.093 0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.921 -1.875 -0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.652 -3.215 -1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.118 -1.165 0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.103 -1.240 -1.614 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.096 -3.588 -1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.292 -3.288 0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.552 -1.709 -1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.379 -2.788 -0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.745 -0.584 -0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.655 -1.276 0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.095 -0.191 -0.221 1.00 0.00 H new ATOM 577 N VAL A 39 -9.265 -3.840 -0.134 1.00 0.00 N ATOM 578 CA VAL A 39 -8.100 -4.639 -0.506 1.00 0.00 C ATOM 579 C VAL A 39 -7.239 -4.914 0.719 1.00 0.00 C ATOM 580 O VAL A 39 -6.063 -4.553 0.788 1.00 0.00 O ATOM 581 CB VAL A 39 -7.264 -3.969 -1.620 1.00 0.00 C ATOM 582 CG1 VAL A 39 -8.042 -3.950 -2.925 1.00 0.00 C ATOM 583 CG2 VAL A 39 -6.845 -2.559 -1.229 1.00 0.00 C ATOM 0 H VAL A 39 -9.151 -2.835 -0.268 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.465 -5.585 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.357 -4.558 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.441 -3.475 -3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.277 -4.972 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.967 -3.389 -2.789 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.259 -2.117 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.733 -1.952 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.243 -2.597 -0.321 1.00 0.00 H new ATOM 593 N ASN A 40 -7.844 -5.582 1.675 1.00 0.00 N ATOM 594 CA ASN A 40 -7.244 -5.745 2.980 1.00 0.00 C ATOM 595 C ASN A 40 -7.889 -6.891 3.749 1.00 0.00 C ATOM 596 O ASN A 40 -7.284 -7.461 4.653 1.00 0.00 O ATOM 597 CB ASN A 40 -7.394 -4.444 3.748 1.00 0.00 C ATOM 598 CG ASN A 40 -6.624 -4.453 5.043 1.00 0.00 C ATOM 599 OD1 ASN A 40 -7.170 -4.717 6.114 1.00 0.00 O ATOM 600 ND2 ASN A 40 -5.337 -4.190 4.945 1.00 0.00 N ATOM 0 H ASN A 40 -8.757 -6.024 1.572 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.189 -5.990 2.859 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.048 -3.617 3.128 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.449 -4.267 3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.749 -4.200 5.779 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.928 -3.976 4.035 1.00 0.00 H new ATOM 607 N ASP A 41 -9.121 -7.225 3.389 1.00 0.00 N ATOM 608 CA ASP A 41 -9.835 -8.307 4.052 1.00 0.00 C ATOM 609 C ASP A 41 -9.256 -9.662 3.645 1.00 0.00 C ATOM 610 O ASP A 41 -9.110 -10.562 4.474 1.00 0.00 O ATOM 611 CB ASP A 41 -11.324 -8.242 3.708 1.00 0.00 C ATOM 612 CG ASP A 41 -12.128 -9.322 4.397 1.00 0.00 C ATOM 613 OD1 ASP A 41 -12.258 -9.266 5.638 1.00 0.00 O ATOM 614 OD2 ASP A 41 -12.642 -10.225 3.702 1.00 0.00 O ATOM 0 H ASP A 41 -9.645 -6.764 2.645 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.716 -8.192 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.716 -7.265 3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.448 -8.334 2.629 1.00 0.00 H new ATOM 619 N THR A 42 -8.907 -9.793 2.374 1.00 0.00 N ATOM 620 CA THR A 42 -8.316 -11.022 1.865 1.00 0.00 C ATOM 621 C THR A 42 -7.106 -10.708 0.970 1.00 0.00 C ATOM 622 O THR A 42 -7.090 -10.992 -0.229 1.00 0.00 O ATOM 623 CB THR A 42 -9.376 -11.862 1.109 1.00 0.00 C ATOM 624 OG1 THR A 42 -8.803 -13.084 0.622 1.00 0.00 O ATOM 625 CG2 THR A 42 -9.999 -11.078 -0.041 1.00 0.00 C ATOM 0 H THR A 42 -9.023 -9.061 1.674 1.00 0.00 H new ATOM 0 HA THR A 42 -7.961 -11.615 2.708 1.00 0.00 H new ATOM 0 HB THR A 42 -10.167 -12.102 1.819 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.488 -13.601 0.149 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.737 -11.700 -0.547 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.484 -10.183 0.349 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.221 -10.790 -0.748 1.00 0.00 H new ATOM 633 N PRO A 43 -6.058 -10.116 1.559 1.00 0.00 N ATOM 634 CA PRO A 43 -4.898 -9.635 0.829 1.00 0.00 C ATOM 635 C PRO A 43 -3.728 -10.616 0.832 1.00 0.00 C ATOM 636 O PRO A 43 -2.575 -10.204 0.681 1.00 0.00 O ATOM 637 CB PRO A 43 -4.548 -8.392 1.629 1.00 0.00 C ATOM 638 CG PRO A 43 -4.872 -8.766 3.043 1.00 0.00 C ATOM 639 CD PRO A 43 -5.913 -9.846 2.996 1.00 0.00 C ATOM 0 HA PRO A 43 -5.101 -9.475 -0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.496 -8.129 1.517 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.129 -7.530 1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.979 -9.116 3.561 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.242 -7.901 3.594 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.595 -10.734 3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.853 -9.518 3.440 1.00 0.00 H new ATOM 647 N GLU A 44 -4.037 -11.899 1.036 1.00 0.00 N ATOM 648 CA GLU A 44 -3.042 -12.982 1.015 1.00 0.00 C ATOM 649 C GLU A 44 -2.129 -12.955 2.247 1.00 0.00 C ATOM 650 O GLU A 44 -2.034 -13.942 2.979 1.00 0.00 O ATOM 651 CB GLU A 44 -2.202 -12.918 -0.269 1.00 0.00 C ATOM 652 CG GLU A 44 -1.181 -14.036 -0.399 1.00 0.00 C ATOM 653 CD GLU A 44 -1.820 -15.400 -0.554 1.00 0.00 C ATOM 654 OE1 GLU A 44 -2.111 -16.047 0.469 1.00 0.00 O ATOM 655 OE2 GLU A 44 -2.020 -15.837 -1.703 1.00 0.00 O ATOM 0 H GLU A 44 -4.987 -12.220 1.221 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.593 -13.922 1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.870 -12.949 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.683 -11.960 -0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.542 -13.840 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.538 -14.039 0.481 1.00 0.00 H new ATOM 662 N GLU A 45 -1.471 -11.825 2.468 1.00 0.00 N ATOM 663 CA GLU A 45 -0.503 -11.682 3.557 1.00 0.00 C ATOM 664 C GLU A 45 -1.184 -11.781 4.928 1.00 0.00 C ATOM 665 O GLU A 45 -1.104 -12.814 5.597 1.00 0.00 O ATOM 666 CB GLU A 45 0.249 -10.348 3.410 1.00 0.00 C ATOM 667 CG GLU A 45 1.143 -9.981 4.588 1.00 0.00 C ATOM 668 CD GLU A 45 2.407 -10.807 4.647 1.00 0.00 C ATOM 669 OE1 GLU A 45 2.320 -12.036 4.443 1.00 0.00 O ATOM 670 OE2 GLU A 45 3.492 -10.223 4.891 1.00 0.00 O ATOM 0 H GLU A 45 -1.589 -10.984 1.903 1.00 0.00 H new ATOM 0 HA GLU A 45 0.213 -12.501 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.860 -10.390 2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.480 -9.551 3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.407 -8.926 4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.586 -10.112 5.515 1.00 0.00 H new ATOM 677 N GLU A 46 -1.851 -10.709 5.337 1.00 0.00 N ATOM 678 CA GLU A 46 -2.585 -10.682 6.600 1.00 0.00 C ATOM 679 C GLU A 46 -3.867 -9.867 6.465 1.00 0.00 C ATOM 680 O GLU A 46 -4.907 -10.391 6.076 1.00 0.00 O ATOM 681 CB GLU A 46 -1.729 -10.105 7.730 1.00 0.00 C ATOM 682 CG GLU A 46 -0.644 -11.043 8.235 1.00 0.00 C ATOM 683 CD GLU A 46 0.183 -10.432 9.346 1.00 0.00 C ATOM 684 OE1 GLU A 46 -0.191 -10.581 10.527 1.00 0.00 O ATOM 685 OE2 GLU A 46 1.206 -9.789 9.043 1.00 0.00 O ATOM 0 H GLU A 46 -1.900 -9.838 4.808 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.840 -11.712 6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.263 -9.183 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.379 -9.839 8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.103 -11.964 8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.011 -11.315 7.407 1.00 0.00 H new ATOM 692 N GLY A 47 -3.775 -8.576 6.764 1.00 0.00 N ATOM 693 CA GLY A 47 -4.916 -7.697 6.603 1.00 0.00 C ATOM 694 C GLY A 47 -4.790 -6.415 7.406 1.00 0.00 C ATOM 695 O GLY A 47 -4.235 -5.423 6.936 1.00 0.00 O ATOM 0 H GLY A 47 -2.931 -8.124 7.115 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.032 -7.449 5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.820 -8.224 6.908 1.00 0.00 H new ATOM 699 N MET A 48 -5.282 -6.430 8.624 1.00 0.00 N ATOM 700 CA MET A 48 -5.267 -5.232 9.459 1.00 0.00 C ATOM 701 C MET A 48 -3.843 -4.676 9.652 1.00 0.00 C ATOM 702 O MET A 48 -3.619 -3.477 9.461 1.00 0.00 O ATOM 703 CB MET A 48 -5.920 -5.502 10.814 1.00 0.00 C ATOM 704 CG MET A 48 -6.246 -4.232 11.587 1.00 0.00 C ATOM 705 SD MET A 48 -6.008 -4.413 13.364 1.00 0.00 S ATOM 706 CE MET A 48 -4.218 -4.485 13.446 1.00 0.00 C ATOM 0 H MET A 48 -5.698 -7.251 9.065 1.00 0.00 H new ATOM 0 HA MET A 48 -5.847 -4.473 8.934 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.837 -6.072 10.661 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.255 -6.123 11.413 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.618 -3.419 11.222 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.280 -3.948 11.391 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.890 -4.242 14.457 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.882 -5.489 13.187 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.792 -3.768 12.744 1.00 0.00 H new ATOM 716 N PRO A 49 -2.840 -5.519 9.989 1.00 0.00 N ATOM 717 CA PRO A 49 -1.472 -5.040 10.164 1.00 0.00 C ATOM 718 C PRO A 49 -0.881 -4.634 8.826 1.00 0.00 C ATOM 719 O PRO A 49 0.033 -3.817 8.749 1.00 0.00 O ATOM 720 CB PRO A 49 -0.734 -6.245 10.744 1.00 0.00 C ATOM 721 CG PRO A 49 -1.512 -7.424 10.277 1.00 0.00 C ATOM 722 CD PRO A 49 -2.938 -6.978 10.188 1.00 0.00 C ATOM 0 HA PRO A 49 -1.405 -4.162 10.806 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.297 -6.286 10.391 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.697 -6.201 11.832 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.151 -7.769 9.308 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.408 -8.258 10.971 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.457 -7.461 9.360 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.490 -7.222 11.095 1.00 0.00 H new ATOM 730 N LEU A 50 -1.438 -5.218 7.774 1.00 0.00 N ATOM 731 CA LEU A 50 -1.057 -4.902 6.412 1.00 0.00 C ATOM 732 C LEU A 50 -1.273 -3.438 6.110 1.00 0.00 C ATOM 733 O LEU A 50 -0.389 -2.772 5.588 1.00 0.00 O ATOM 734 CB LEU A 50 -1.899 -5.721 5.455 1.00 0.00 C ATOM 735 CG LEU A 50 -1.200 -6.885 4.801 1.00 0.00 C ATOM 736 CD1 LEU A 50 -2.219 -7.764 4.144 1.00 0.00 C ATOM 737 CD2 LEU A 50 -0.221 -6.397 3.764 1.00 0.00 C ATOM 0 H LEU A 50 -2.169 -5.926 7.846 1.00 0.00 H new ATOM 0 HA LEU A 50 0.001 -5.134 6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.766 -6.099 5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.274 -5.060 4.673 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.656 -7.445 5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.719 -8.608 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.920 -8.132 4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.761 -7.192 3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.275 -7.250 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.753 -5.829 3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.524 -5.758 4.239 1.00 0.00 H new ATOM 749 N ARG A 51 -2.442 -2.933 6.468 1.00 0.00 N ATOM 750 CA ARG A 51 -2.740 -1.537 6.219 1.00 0.00 C ATOM 751 C ARG A 51 -1.966 -0.668 7.192 1.00 0.00 C ATOM 752 O ARG A 51 -1.535 0.419 6.841 1.00 0.00 O ATOM 753 CB ARG A 51 -4.245 -1.252 6.284 1.00 0.00 C ATOM 754 CG ARG A 51 -4.886 -1.461 7.644 1.00 0.00 C ATOM 755 CD ARG A 51 -6.392 -1.295 7.561 1.00 0.00 C ATOM 756 NE ARG A 51 -7.038 -1.384 8.867 1.00 0.00 N ATOM 757 CZ ARG A 51 -8.319 -1.707 9.039 1.00 0.00 C ATOM 758 NH1 ARG A 51 -9.069 -2.050 7.996 1.00 0.00 N ATOM 759 NH2 ARG A 51 -8.847 -1.697 10.256 1.00 0.00 N ATOM 0 H ARG A 51 -3.187 -3.460 6.924 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.425 -1.294 5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.417 -0.221 5.974 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.751 -1.891 5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.645 -2.457 8.015 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.476 -0.747 8.358 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.623 -0.330 7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.803 -2.061 6.903 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.476 -1.188 9.695 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.664 -2.067 7.060 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.049 -2.297 8.132 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.272 -1.442 11.059 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.828 -1.944 10.388 1.00 0.00 H new ATOM 773 N ALA A 52 -1.768 -1.168 8.403 1.00 0.00 N ATOM 774 CA ALA A 52 -0.966 -0.457 9.381 1.00 0.00 C ATOM 775 C ALA A 52 0.456 -0.222 8.867 1.00 0.00 C ATOM 776 O ALA A 52 0.941 0.913 8.871 1.00 0.00 O ATOM 777 CB ALA A 52 -0.933 -1.232 10.690 1.00 0.00 C ATOM 0 H ALA A 52 -2.149 -2.056 8.728 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.424 0.517 9.553 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.329 -0.691 11.418 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.948 -1.344 11.072 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.499 -2.217 10.519 1.00 0.00 H new ATOM 783 N TRP A 53 1.117 -1.278 8.384 1.00 0.00 N ATOM 784 CA TRP A 53 2.478 -1.130 7.892 1.00 0.00 C ATOM 785 C TRP A 53 2.504 -0.417 6.547 1.00 0.00 C ATOM 786 O TRP A 53 3.337 0.456 6.327 1.00 0.00 O ATOM 787 CB TRP A 53 3.245 -2.475 7.862 1.00 0.00 C ATOM 788 CG TRP A 53 2.955 -3.429 6.725 1.00 0.00 C ATOM 789 CD1 TRP A 53 2.266 -4.606 6.797 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.406 -3.323 5.366 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.255 -5.227 5.568 1.00 0.00 N ATOM 792 CE2 TRP A 53 2.940 -4.454 4.676 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.147 -2.374 4.664 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.197 -4.663 3.325 1.00 0.00 C ATOM 795 CZ3 TRP A 53 4.399 -2.578 3.327 1.00 0.00 C ATOM 796 CH2 TRP A 53 3.926 -3.717 2.667 1.00 0.00 C ATOM 0 H TRP A 53 0.737 -2.223 8.326 1.00 0.00 H new ATOM 0 HA TRP A 53 3.011 -0.498 8.603 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.312 -2.252 7.847 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.042 -2.997 8.797 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.797 -4.994 7.689 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.808 -6.119 5.358 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.518 -1.491 5.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.832 -5.543 2.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 4.972 -1.846 2.777 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.142 -3.850 1.617 1.00 0.00 H new ATOM 807 N VAL A 54 1.579 -0.771 5.663 1.00 0.00 N ATOM 808 CA VAL A 54 1.503 -0.169 4.335 1.00 0.00 C ATOM 809 C VAL A 54 1.284 1.338 4.426 1.00 0.00 C ATOM 810 O VAL A 54 2.021 2.116 3.821 1.00 0.00 O ATOM 811 CB VAL A 54 0.375 -0.828 3.507 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.271 0.148 2.534 1.00 0.00 C ATOM 813 CG2 VAL A 54 0.897 -2.037 2.751 1.00 0.00 C ATOM 0 H VAL A 54 0.865 -1.477 5.843 1.00 0.00 H new ATOM 0 HA VAL A 54 2.454 -0.342 3.832 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.389 -1.147 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.057 -0.361 1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.702 0.982 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.482 0.523 1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.086 -2.484 2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.694 -1.727 2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.286 -2.769 3.459 1.00 0.00 H new ATOM 823 N ILE A 55 0.286 1.742 5.199 1.00 0.00 N ATOM 824 CA ILE A 55 -0.031 3.149 5.361 1.00 0.00 C ATOM 825 C ILE A 55 1.119 3.894 6.030 1.00 0.00 C ATOM 826 O ILE A 55 1.463 5.002 5.617 1.00 0.00 O ATOM 827 CB ILE A 55 -1.332 3.334 6.170 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.518 2.801 5.362 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.549 4.794 6.545 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.799 2.683 6.157 1.00 0.00 C ATOM 0 H ILE A 55 -0.319 1.111 5.725 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.182 3.570 4.367 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.247 2.769 7.098 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.690 3.460 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.260 1.821 4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.474 4.890 7.114 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.712 5.142 7.151 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.616 5.396 5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.592 2.299 5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.647 2.001 6.993 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.083 3.664 6.537 1.00 0.00 H new ATOM 842 N LYS A 56 1.728 3.285 7.042 1.00 0.00 N ATOM 843 CA LYS A 56 2.820 3.939 7.742 1.00 0.00 C ATOM 844 C LYS A 56 4.060 4.028 6.856 1.00 0.00 C ATOM 845 O LYS A 56 4.728 5.059 6.828 1.00 0.00 O ATOM 846 CB LYS A 56 3.159 3.219 9.048 1.00 0.00 C ATOM 847 CG LYS A 56 3.901 4.114 10.024 1.00 0.00 C ATOM 848 CD LYS A 56 4.280 3.387 11.301 1.00 0.00 C ATOM 849 CE LYS A 56 4.872 4.349 12.320 1.00 0.00 C ATOM 850 NZ LYS A 56 6.014 5.128 11.764 1.00 0.00 N ATOM 0 H LYS A 56 1.488 2.356 7.389 1.00 0.00 H new ATOM 0 HA LYS A 56 2.490 4.949 7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.240 2.862 9.513 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.767 2.341 8.829 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.802 4.499 9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.278 4.974 10.270 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.400 2.901 11.722 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.001 2.601 11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.098 5.036 12.660 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.208 3.789 13.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.522 5.601 12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.663 4.486 11.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.656 5.842 11.098 1.00 0.00 H new ATOM 864 N CYS A 57 4.356 2.962 6.121 1.00 0.00 N ATOM 865 CA CYS A 57 5.519 2.947 5.236 1.00 0.00 C ATOM 866 C CYS A 57 5.332 3.922 4.080 1.00 0.00 C ATOM 867 O CYS A 57 6.264 4.630 3.705 1.00 0.00 O ATOM 868 CB CYS A 57 5.784 1.542 4.696 1.00 0.00 C ATOM 869 SG CYS A 57 6.214 0.332 5.968 1.00 0.00 S ATOM 0 H CYS A 57 3.811 2.100 6.119 1.00 0.00 H new ATOM 0 HA CYS A 57 6.383 3.259 5.823 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.898 1.195 4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.593 1.591 3.968 1.00 0.00 H new ATOM 0 HG CYS A 57 5.130 -0.099 6.541 1.00 0.00 H new ATOM 875 N ALA A 58 4.125 3.959 3.520 1.00 0.00 N ATOM 876 CA ALA A 58 3.808 4.907 2.460 1.00 0.00 C ATOM 877 C ALA A 58 3.911 6.329 2.989 1.00 0.00 C ATOM 878 O ALA A 58 4.361 7.236 2.293 1.00 0.00 O ATOM 879 CB ALA A 58 2.414 4.641 1.911 1.00 0.00 C ATOM 0 H ALA A 58 3.354 3.345 3.783 1.00 0.00 H new ATOM 0 HA ALA A 58 4.525 4.782 1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.192 5.357 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.369 3.629 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.682 4.746 2.711 1.00 0.00 H new ATOM 885 N HIS A 59 3.497 6.501 4.237 1.00 0.00 N ATOM 886 CA HIS A 59 3.584 7.781 4.923 1.00 0.00 C ATOM 887 C HIS A 59 5.048 8.214 5.031 1.00 0.00 C ATOM 888 O HIS A 59 5.419 9.311 4.605 1.00 0.00 O ATOM 889 CB HIS A 59 2.965 7.644 6.320 1.00 0.00 C ATOM 890 CG HIS A 59 2.471 8.924 6.915 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.603 8.959 7.984 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.715 10.211 6.589 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.332 10.212 8.288 1.00 0.00 C ATOM 894 NE2 HIS A 59 1.995 10.992 7.458 1.00 0.00 N ATOM 0 H HIS A 59 3.091 5.755 4.802 1.00 0.00 H new ATOM 0 HA HIS A 59 3.039 8.539 4.360 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.134 6.940 6.267 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.707 7.211 6.990 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.356 10.561 5.794 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.678 10.543 9.081 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.976 12.012 7.461 1.00 0.00 H new ATOM 903 N GLU A 60 5.868 7.324 5.581 1.00 0.00 N ATOM 904 CA GLU A 60 7.300 7.568 5.751 1.00 0.00 C ATOM 905 C GLU A 60 7.975 7.838 4.411 1.00 0.00 C ATOM 906 O GLU A 60 8.749 8.786 4.272 1.00 0.00 O ATOM 907 CB GLU A 60 7.963 6.354 6.403 1.00 0.00 C ATOM 908 CG GLU A 60 7.447 6.036 7.794 1.00 0.00 C ATOM 909 CD GLU A 60 7.958 6.996 8.844 1.00 0.00 C ATOM 910 OE1 GLU A 60 9.102 6.815 9.310 1.00 0.00 O ATOM 911 OE2 GLU A 60 7.218 7.923 9.222 1.00 0.00 O ATOM 0 H GLU A 60 5.561 6.413 5.922 1.00 0.00 H new ATOM 0 HA GLU A 60 7.415 8.445 6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.811 5.484 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.038 6.526 6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.357 6.060 7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.741 5.021 8.062 1.00 0.00 H new ATOM 918 N ALA A 61 7.677 6.995 3.429 1.00 0.00 N ATOM 919 CA ALA A 61 8.305 7.081 2.117 1.00 0.00 C ATOM 920 C ALA A 61 7.970 8.393 1.429 1.00 0.00 C ATOM 921 O ALA A 61 8.837 9.036 0.841 1.00 0.00 O ATOM 922 CB ALA A 61 7.880 5.907 1.244 1.00 0.00 C ATOM 0 H ALA A 61 6.999 6.239 3.519 1.00 0.00 H new ATOM 0 HA ALA A 61 9.384 7.041 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.358 5.987 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.180 4.973 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.797 5.919 1.119 1.00 0.00 H new ATOM 928 N LEU A 62 6.712 8.795 1.519 1.00 0.00 N ATOM 929 CA LEU A 62 6.251 9.983 0.827 1.00 0.00 C ATOM 930 C LEU A 62 6.853 11.247 1.427 1.00 0.00 C ATOM 931 O LEU A 62 7.318 12.111 0.701 1.00 0.00 O ATOM 932 CB LEU A 62 4.729 10.079 0.866 1.00 0.00 C ATOM 933 CG LEU A 62 4.140 11.174 -0.020 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.898 10.645 -1.420 1.00 0.00 C ATOM 935 CD2 LEU A 62 2.856 11.716 0.576 1.00 0.00 C ATOM 0 H LEU A 62 5.995 8.316 2.064 1.00 0.00 H new ATOM 0 HA LEU A 62 6.580 9.898 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.309 9.120 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.415 10.254 1.895 1.00 0.00 H new ATOM 0 HG LEU A 62 4.857 11.993 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.478 11.437 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.841 10.309 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.200 9.809 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.454 12.495 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.129 10.909 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.060 12.134 1.562 1.00 0.00 H new ATOM 947 N GLU A 63 6.856 11.349 2.752 1.00 0.00 N ATOM 948 CA GLU A 63 7.301 12.577 3.410 1.00 0.00 C ATOM 949 C GLU A 63 8.790 12.839 3.194 1.00 0.00 C ATOM 950 O GLU A 63 9.215 13.992 3.128 1.00 0.00 O ATOM 951 CB GLU A 63 7.011 12.536 4.911 1.00 0.00 C ATOM 952 CG GLU A 63 5.536 12.440 5.261 1.00 0.00 C ATOM 953 CD GLU A 63 5.289 12.627 6.743 1.00 0.00 C ATOM 954 OE1 GLU A 63 5.663 11.733 7.531 1.00 0.00 O ATOM 955 OE2 GLU A 63 4.739 13.679 7.129 1.00 0.00 O ATOM 0 H GLU A 63 6.560 10.608 3.387 1.00 0.00 H new ATOM 0 HA GLU A 63 6.738 13.391 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.532 11.683 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.424 13.432 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.982 13.195 4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.152 11.468 4.950 1.00 0.00 H new ATOM 962 N LYS A 64 9.582 11.780 3.085 1.00 0.00 N ATOM 963 CA LYS A 64 11.030 11.935 2.963 1.00 0.00 C ATOM 964 C LYS A 64 11.425 12.315 1.541 1.00 0.00 C ATOM 965 O LYS A 64 12.511 12.846 1.308 1.00 0.00 O ATOM 966 CB LYS A 64 11.755 10.661 3.405 1.00 0.00 C ATOM 967 CG LYS A 64 11.487 10.283 4.855 1.00 0.00 C ATOM 968 CD LYS A 64 11.750 11.448 5.798 1.00 0.00 C ATOM 969 CE LYS A 64 11.448 11.081 7.240 1.00 0.00 C ATOM 970 NZ LYS A 64 11.567 12.255 8.145 1.00 0.00 N ATOM 0 H LYS A 64 9.254 10.814 3.078 1.00 0.00 H new ATOM 0 HA LYS A 64 11.334 12.747 3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.450 9.837 2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.828 10.795 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.453 9.956 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.118 9.439 5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.791 11.758 5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.138 12.300 5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.440 10.671 7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.133 10.299 7.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.353 11.964 9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.536 12.631 8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.895 12.992 7.848 1.00 0.00 H new ATOM 984 N ASN A 65 10.538 12.046 0.600 1.00 0.00 N ATOM 985 CA ASN A 65 10.725 12.474 -0.782 1.00 0.00 C ATOM 986 C ASN A 65 9.372 12.818 -1.402 1.00 0.00 C ATOM 987 O ASN A 65 8.879 12.123 -2.293 1.00 0.00 O ATOM 988 CB ASN A 65 11.468 11.405 -1.604 1.00 0.00 C ATOM 989 CG ASN A 65 10.922 9.997 -1.424 1.00 0.00 C ATOM 990 OD1 ASN A 65 9.945 9.635 -2.236 1.00 0.00 O flip ATOM 991 ND2 ASN A 65 11.384 9.242 -0.567 1.00 0.00 N flip ATOM 0 H ASN A 65 9.674 11.530 0.766 1.00 0.00 H new ATOM 0 HA ASN A 65 11.348 13.368 -0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 65 11.416 11.672 -2.660 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.522 11.414 -1.325 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.139 9.561 0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.012 8.298 -0.465 1.00 0.00 H new ATOM 998 N PRO A 66 8.766 13.931 -0.947 1.00 0.00 N ATOM 999 CA PRO A 66 7.379 14.285 -1.280 1.00 0.00 C ATOM 1000 C PRO A 66 7.240 14.879 -2.680 1.00 0.00 C ATOM 1001 O PRO A 66 6.566 15.889 -2.886 1.00 0.00 O ATOM 1002 CB PRO A 66 7.031 15.305 -0.198 1.00 0.00 C ATOM 1003 CG PRO A 66 8.318 15.998 0.083 1.00 0.00 C ATOM 1004 CD PRO A 66 9.393 14.952 -0.079 1.00 0.00 C ATOM 0 HA PRO A 66 6.716 13.420 -1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.269 16.005 -0.542 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.638 14.819 0.695 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.473 16.828 -0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.326 16.414 1.090 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.291 15.369 -0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.690 14.532 0.882 1.00 0.00 H new ATOM 1012 N LYS A 67 7.887 14.231 -3.631 1.00 0.00 N ATOM 1013 CA LYS A 67 7.838 14.633 -5.027 1.00 0.00 C ATOM 1014 C LYS A 67 7.429 13.442 -5.886 1.00 0.00 C ATOM 1015 O LYS A 67 7.292 13.552 -7.104 1.00 0.00 O ATOM 1016 CB LYS A 67 9.204 15.161 -5.478 1.00 0.00 C ATOM 1017 CG LYS A 67 9.709 16.333 -4.654 1.00 0.00 C ATOM 1018 CD LYS A 67 11.114 16.740 -5.068 1.00 0.00 C ATOM 1019 CE LYS A 67 11.652 17.860 -4.193 1.00 0.00 C ATOM 1020 NZ LYS A 67 10.868 19.114 -4.342 1.00 0.00 N ATOM 0 H LYS A 67 8.464 13.408 -3.458 1.00 0.00 H new ATOM 0 HA LYS A 67 7.104 15.430 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.932 14.351 -5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.139 15.464 -6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.034 17.180 -4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.703 16.066 -3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.777 15.877 -5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.108 17.062 -6.109 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.635 17.544 -3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.694 18.052 -4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.347 19.885 -3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.791 19.358 -5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.916 18.978 -3.945 1.00 0.00 H new ATOM 1034 N ILE A 68 7.228 12.305 -5.232 1.00 0.00 N ATOM 1035 CA ILE A 68 6.844 11.079 -5.920 1.00 0.00 C ATOM 1036 C ILE A 68 5.336 11.003 -6.082 1.00 0.00 C ATOM 1037 O ILE A 68 4.615 11.954 -5.774 1.00 0.00 O ATOM 1038 CB ILE A 68 7.317 9.822 -5.163 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.785 9.821 -3.722 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.835 9.725 -5.197 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.971 8.501 -3.006 1.00 0.00 C ATOM 0 H ILE A 68 7.325 12.206 -4.221 1.00 0.00 H new ATOM 0 HA ILE A 68 7.326 11.107 -6.897 1.00 0.00 H new ATOM 0 HB ILE A 68 6.913 8.941 -5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.290 10.605 -3.157 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.724 10.071 -3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.155 8.833 -4.659 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.173 9.665 -6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.267 10.608 -4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.572 8.576 -1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.443 7.716 -3.547 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.033 8.259 -2.960 1.00 0.00 H new ATOM 1053 N ARG A 69 4.863 9.862 -6.557 1.00 0.00 N ATOM 1054 CA ARG A 69 3.436 9.678 -6.786 1.00 0.00 C ATOM 1055 C ARG A 69 3.022 8.213 -6.691 1.00 0.00 C ATOM 1056 O ARG A 69 1.857 7.891 -6.897 1.00 0.00 O ATOM 1057 CB ARG A 69 3.023 10.241 -8.146 1.00 0.00 C ATOM 1058 CG ARG A 69 3.735 9.599 -9.322 1.00 0.00 C ATOM 1059 CD ARG A 69 3.124 10.027 -10.647 1.00 0.00 C ATOM 1060 NE ARG A 69 3.117 11.481 -10.815 1.00 0.00 N ATOM 1061 CZ ARG A 69 3.567 12.108 -11.902 1.00 0.00 C ATOM 1062 NH1 ARG A 69 4.069 11.408 -12.915 1.00 0.00 N ATOM 1063 NH2 ARG A 69 3.512 13.433 -11.976 1.00 0.00 N ATOM 0 H ARG A 69 5.440 9.054 -6.791 1.00 0.00 H new ATOM 0 HA ARG A 69 2.921 10.226 -5.997 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.948 10.111 -8.270 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.218 11.313 -8.158 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.790 9.872 -9.302 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.684 8.514 -9.231 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.682 9.572 -11.465 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.103 9.652 -10.711 1.00 0.00 H new ATOM 0 HE ARG A 69 2.745 12.049 -10.054 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.110 10.390 -12.861 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.413 11.889 -13.746 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.125 13.971 -11.201 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.857 13.912 -12.808 1.00 0.00 H new ATOM 1077 N GLU A 70 3.972 7.321 -6.434 1.00 0.00 N ATOM 1078 CA GLU A 70 3.652 5.928 -6.153 1.00 0.00 C ATOM 1079 C GLU A 70 4.865 5.205 -5.571 1.00 0.00 C ATOM 1080 O GLU A 70 6.000 5.638 -5.760 1.00 0.00 O ATOM 1081 CB GLU A 70 3.152 5.227 -7.415 1.00 0.00 C ATOM 1082 CG GLU A 70 4.124 5.301 -8.581 1.00 0.00 C ATOM 1083 CD GLU A 70 3.634 4.548 -9.793 1.00 0.00 C ATOM 1084 OE1 GLU A 70 3.845 3.323 -9.859 1.00 0.00 O ATOM 1085 OE2 GLU A 70 3.041 5.176 -10.692 1.00 0.00 O ATOM 0 H GLU A 70 4.968 7.538 -6.415 1.00 0.00 H new ATOM 0 HA GLU A 70 2.854 5.900 -5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.954 4.180 -7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.203 5.672 -7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.287 6.345 -8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.088 4.897 -8.272 1.00 0.00 H new ATOM 1092 N VAL A 71 4.620 4.117 -4.851 1.00 0.00 N ATOM 1093 CA VAL A 71 5.691 3.311 -4.280 1.00 0.00 C ATOM 1094 C VAL A 71 5.455 1.826 -4.539 1.00 0.00 C ATOM 1095 O VAL A 71 4.318 1.389 -4.758 1.00 0.00 O ATOM 1096 CB VAL A 71 5.856 3.543 -2.757 1.00 0.00 C ATOM 1097 CG1 VAL A 71 6.403 4.933 -2.476 1.00 0.00 C ATOM 1098 CG2 VAL A 71 4.540 3.333 -2.023 1.00 0.00 C ATOM 0 H VAL A 71 3.682 3.771 -4.648 1.00 0.00 H new ATOM 0 HA VAL A 71 6.609 3.628 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 71 6.572 2.809 -2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.510 5.071 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.376 5.045 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.716 5.681 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.687 3.503 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.796 4.033 -2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.193 2.312 -2.183 1.00 0.00 H new ATOM 1108 N TYR A 72 6.536 1.060 -4.509 1.00 0.00 N ATOM 1109 CA TYR A 72 6.476 -0.373 -4.760 1.00 0.00 C ATOM 1110 C TYR A 72 6.756 -1.118 -3.462 1.00 0.00 C ATOM 1111 O TYR A 72 7.864 -1.051 -2.923 1.00 0.00 O ATOM 1112 CB TYR A 72 7.503 -0.776 -5.825 1.00 0.00 C ATOM 1113 CG TYR A 72 7.428 0.051 -7.092 1.00 0.00 C ATOM 1114 CD1 TYR A 72 6.535 -0.268 -8.106 1.00 0.00 C ATOM 1115 CD2 TYR A 72 8.255 1.155 -7.269 1.00 0.00 C ATOM 1116 CE1 TYR A 72 6.469 0.489 -9.260 1.00 0.00 C ATOM 1117 CE2 TYR A 72 8.194 1.916 -8.420 1.00 0.00 C ATOM 1118 CZ TYR A 72 7.300 1.580 -9.412 1.00 0.00 C ATOM 1119 OH TYR A 72 7.238 2.339 -10.560 1.00 0.00 O ATOM 0 H TYR A 72 7.473 1.411 -4.311 1.00 0.00 H new ATOM 0 HA TYR A 72 5.482 -0.631 -5.127 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.504 -0.687 -5.403 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.356 -1.826 -6.079 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.882 -1.121 -7.991 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.957 1.422 -6.493 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.769 0.228 -10.040 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.844 2.770 -8.541 1.00 0.00 H new ATOM 0 HH TYR A 72 7.889 3.069 -10.505 1.00 0.00 H new ATOM 1129 N LEU A 73 5.749 -1.812 -2.955 1.00 0.00 N ATOM 1130 CA LEU A 73 5.836 -2.411 -1.638 1.00 0.00 C ATOM 1131 C LEU A 73 5.863 -3.933 -1.663 1.00 0.00 C ATOM 1132 O LEU A 73 5.094 -4.586 -2.372 1.00 0.00 O ATOM 1133 CB LEU A 73 4.682 -1.926 -0.763 1.00 0.00 C ATOM 1134 CG LEU A 73 4.975 -0.652 0.022 1.00 0.00 C ATOM 1135 CD1 LEU A 73 3.778 -0.255 0.873 1.00 0.00 C ATOM 1136 CD2 LEU A 73 6.212 -0.856 0.883 1.00 0.00 C ATOM 0 H LEU A 73 4.864 -1.973 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 73 6.789 -2.090 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.810 -1.756 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.417 -2.717 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 73 5.165 0.161 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.010 0.656 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.916 -0.081 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.550 -1.056 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.420 0.056 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.040 -1.678 1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.064 -1.092 0.246 1.00 0.00 H new ATOM 1148 N LYS A 74 6.778 -4.471 -0.875 1.00 0.00 N ATOM 1149 CA LYS A 74 6.849 -5.892 -0.592 1.00 0.00 C ATOM 1150 C LYS A 74 6.568 -6.098 0.893 1.00 0.00 C ATOM 1151 O LYS A 74 7.183 -5.437 1.733 1.00 0.00 O ATOM 1152 CB LYS A 74 8.244 -6.426 -0.942 1.00 0.00 C ATOM 1153 CG LYS A 74 8.449 -7.902 -0.624 1.00 0.00 C ATOM 1154 CD LYS A 74 8.584 -8.744 -1.883 1.00 0.00 C ATOM 1155 CE LYS A 74 7.323 -8.701 -2.725 1.00 0.00 C ATOM 1156 NZ LYS A 74 7.432 -9.565 -3.931 1.00 0.00 N ATOM 0 H LYS A 74 7.502 -3.925 -0.408 1.00 0.00 H new ATOM 0 HA LYS A 74 6.114 -6.431 -1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.425 -6.267 -2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.990 -5.843 -0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.343 -8.020 -0.012 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.608 -8.266 -0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.427 -8.385 -2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.803 -9.776 -1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.473 -9.023 -2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.126 -7.674 -3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.656 -9.345 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.343 -9.391 -4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.374 -10.564 -3.649 1.00 0.00 H new ATOM 1170 N PRO A 75 5.621 -6.984 1.245 1.00 0.00 N ATOM 1171 CA PRO A 75 5.260 -7.229 2.640 1.00 0.00 C ATOM 1172 C PRO A 75 6.368 -7.934 3.419 1.00 0.00 C ATOM 1173 O PRO A 75 7.465 -8.141 2.901 1.00 0.00 O ATOM 1174 CB PRO A 75 4.015 -8.108 2.546 1.00 0.00 C ATOM 1175 CG PRO A 75 4.142 -8.792 1.236 1.00 0.00 C ATOM 1176 CD PRO A 75 4.828 -7.812 0.323 1.00 0.00 C ATOM 0 HA PRO A 75 5.092 -6.298 3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.972 -8.825 3.366 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.104 -7.512 2.596 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.722 -9.710 1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.164 -9.071 0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.460 -8.318 -0.407 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.109 -7.214 -0.237 1.00 0.00 H new ATOM 1184 N ARG A 76 6.077 -8.324 4.649 1.00 0.00 N ATOM 1185 CA ARG A 76 7.099 -8.900 5.508 1.00 0.00 C ATOM 1186 C ARG A 76 7.315 -10.365 5.176 1.00 0.00 C ATOM 1187 O ARG A 76 8.451 -10.848 5.174 1.00 0.00 O ATOM 1188 CB ARG A 76 6.742 -8.745 6.985 1.00 0.00 C ATOM 1189 CG ARG A 76 6.626 -7.294 7.440 1.00 0.00 C ATOM 1190 CD ARG A 76 5.246 -6.712 7.172 1.00 0.00 C ATOM 1191 NE ARG A 76 4.396 -6.761 8.359 1.00 0.00 N ATOM 1192 CZ ARG A 76 3.386 -7.612 8.534 1.00 0.00 C ATOM 1193 NH1 ARG A 76 3.103 -8.537 7.621 1.00 0.00 N ATOM 1194 NH2 ARG A 76 2.656 -7.549 9.638 1.00 0.00 N ATOM 0 H ARG A 76 5.152 -8.254 5.072 1.00 0.00 H new ATOM 0 HA ARG A 76 8.025 -8.355 5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.797 -9.253 7.176 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.500 -9.246 7.587 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.843 -7.232 8.506 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.377 -6.694 6.926 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.346 -5.679 6.839 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.770 -7.264 6.361 1.00 0.00 H new ATOM 0 HE ARG A 76 4.590 -6.096 9.108 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.663 -8.603 6.771 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.326 -9.181 7.771 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.868 -6.851 10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.882 -8.199 9.775 1.00 0.00 H new ATOM 1208 N ALA A 77 6.231 -11.071 4.882 1.00 0.00 N ATOM 1209 CA ALA A 77 6.332 -12.467 4.503 1.00 0.00 C ATOM 1210 C ALA A 77 6.825 -12.592 3.069 1.00 0.00 C ATOM 1211 O ALA A 77 6.050 -12.810 2.138 1.00 0.00 O ATOM 1212 CB ALA A 77 5.005 -13.186 4.686 1.00 0.00 C ATOM 0 H ALA A 77 5.281 -10.701 4.899 1.00 0.00 H new ATOM 0 HA ALA A 77 7.058 -12.945 5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.114 -14.230 4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.703 -13.132 5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.246 -12.712 4.064 1.00 0.00 H new ATOM 1218 N VAL A 78 8.128 -12.426 2.906 1.00 0.00 N ATOM 1219 CA VAL A 78 8.785 -12.600 1.611 1.00 0.00 C ATOM 1220 C VAL A 78 8.550 -14.019 1.078 1.00 0.00 C ATOM 1221 O VAL A 78 8.704 -14.284 -0.115 1.00 0.00 O ATOM 1222 CB VAL A 78 10.305 -12.326 1.711 1.00 0.00 C ATOM 1223 CG1 VAL A 78 10.959 -12.339 0.337 1.00 0.00 C ATOM 1224 CG2 VAL A 78 10.564 -11.001 2.412 1.00 0.00 C ATOM 0 H VAL A 78 8.762 -12.168 3.662 1.00 0.00 H new ATOM 0 HA VAL A 78 8.350 -11.878 0.920 1.00 0.00 H new ATOM 0 HB VAL A 78 10.751 -13.126 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.026 -12.144 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.812 -13.314 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.508 -11.568 -0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.638 -10.825 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.096 -10.194 1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.144 -11.033 3.417 1.00 0.00 H new ATOM 1234 N LYS A 79 8.149 -14.919 1.977 1.00 0.00 N ATOM 1235 CA LYS A 79 7.809 -16.295 1.622 1.00 0.00 C ATOM 1236 C LYS A 79 6.697 -16.334 0.568 1.00 0.00 C ATOM 1237 O LYS A 79 6.597 -17.293 -0.202 1.00 0.00 O ATOM 1238 CB LYS A 79 7.371 -17.065 2.875 1.00 0.00 C ATOM 1239 CG LYS A 79 6.997 -18.516 2.608 1.00 0.00 C ATOM 1240 CD LYS A 79 6.452 -19.192 3.855 1.00 0.00 C ATOM 1241 CE LYS A 79 5.933 -20.591 3.556 1.00 0.00 C ATOM 1242 NZ LYS A 79 7.005 -21.505 3.082 1.00 0.00 N ATOM 0 H LYS A 79 8.051 -14.713 2.971 1.00 0.00 H new ATOM 0 HA LYS A 79 8.695 -16.767 1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.178 -17.037 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.517 -16.556 3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.251 -18.560 1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.873 -19.059 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.236 -19.248 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.648 -18.588 4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.477 -21.006 4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.150 -20.531 2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.620 -22.465 2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.366 -21.171 2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.780 -21.520 3.775 1.00 0.00 H new ATOM 1256 N ASN A 80 5.883 -15.279 0.514 1.00 0.00 N ATOM 1257 CA ASN A 80 4.804 -15.197 -0.472 1.00 0.00 C ATOM 1258 C ASN A 80 5.385 -15.175 -1.872 1.00 0.00 C ATOM 1259 O ASN A 80 4.742 -15.599 -2.834 1.00 0.00 O ATOM 1260 CB ASN A 80 3.977 -13.931 -0.294 1.00 0.00 C ATOM 1261 CG ASN A 80 3.327 -13.820 1.061 1.00 0.00 C ATOM 1262 OD1 ASN A 80 2.983 -14.819 1.691 1.00 0.00 O ATOM 1263 ND2 ASN A 80 3.154 -12.592 1.512 1.00 0.00 N ATOM 0 H ASN A 80 5.949 -14.474 1.137 1.00 0.00 H new ATOM 0 HA ASN A 80 4.167 -16.069 -0.325 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.618 -13.063 -0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.204 -13.901 -1.062 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.718 -12.439 2.421 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.457 -11.795 0.951 1.00 0.00 H new ATOM 1270 N SER A 81 6.608 -14.659 -1.956 1.00 0.00 N ATOM 1271 CA SER A 81 7.354 -14.551 -3.201 1.00 0.00 C ATOM 1272 C SER A 81 6.711 -13.551 -4.165 1.00 0.00 C ATOM 1273 O SER A 81 7.160 -12.408 -4.266 1.00 0.00 O ATOM 1274 CB SER A 81 7.505 -15.929 -3.854 1.00 0.00 C ATOM 1275 OG SER A 81 8.037 -16.867 -2.930 1.00 0.00 O ATOM 0 H SER A 81 7.114 -14.299 -1.147 1.00 0.00 H new ATOM 0 HA SER A 81 8.347 -14.170 -2.962 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.536 -16.275 -4.213 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.159 -15.856 -4.723 1.00 0.00 H new ATOM 0 HG SER A 81 7.399 -17.005 -2.199 1.00 0.00 H new ATOM 1281 N SER A 82 5.634 -13.957 -4.821 1.00 0.00 N ATOM 1282 CA SER A 82 5.085 -13.180 -5.922 1.00 0.00 C ATOM 1283 C SER A 82 3.831 -12.394 -5.545 1.00 0.00 C ATOM 1284 O SER A 82 2.968 -12.163 -6.394 1.00 0.00 O ATOM 1285 CB SER A 82 4.794 -14.101 -7.104 1.00 0.00 C ATOM 1286 OG SER A 82 5.970 -14.775 -7.514 1.00 0.00 O ATOM 0 H SER A 82 5.125 -14.816 -4.611 1.00 0.00 H new ATOM 0 HA SER A 82 5.838 -12.441 -6.194 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.030 -14.828 -6.826 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.394 -13.520 -7.935 1.00 0.00 H new ATOM 0 HG SER A 82 5.764 -15.362 -8.271 1.00 0.00 H new ATOM 1292 N VAL A 83 3.707 -11.983 -4.286 1.00 0.00 N ATOM 1293 CA VAL A 83 2.674 -11.022 -3.940 1.00 0.00 C ATOM 1294 C VAL A 83 3.311 -9.643 -3.813 1.00 0.00 C ATOM 1295 O VAL A 83 4.413 -9.507 -3.275 1.00 0.00 O ATOM 1296 CB VAL A 83 1.917 -11.390 -2.639 1.00 0.00 C ATOM 1297 CG1 VAL A 83 2.720 -11.029 -1.401 1.00 0.00 C ATOM 1298 CG2 VAL A 83 0.551 -10.716 -2.607 1.00 0.00 C ATOM 0 H VAL A 83 4.293 -12.292 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 83 1.929 -11.029 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 83 1.775 -12.471 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.156 -11.302 -0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.667 -11.569 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.914 -9.956 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.034 -10.986 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.678 -9.634 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.037 -11.045 -3.464 1.00 0.00 H new ATOM 1308 N GLN A 84 2.659 -8.635 -4.356 1.00 0.00 N ATOM 1309 CA GLN A 84 3.177 -7.278 -4.287 1.00 0.00 C ATOM 1310 C GLN A 84 2.087 -6.309 -3.874 1.00 0.00 C ATOM 1311 O GLN A 84 0.899 -6.610 -3.986 1.00 0.00 O ATOM 1312 CB GLN A 84 3.749 -6.838 -5.636 1.00 0.00 C ATOM 1313 CG GLN A 84 4.981 -7.608 -6.079 1.00 0.00 C ATOM 1314 CD GLN A 84 5.535 -7.094 -7.394 1.00 0.00 C ATOM 1315 OE1 GLN A 84 5.409 -5.910 -7.715 1.00 0.00 O ATOM 1316 NE2 GLN A 84 6.148 -7.974 -8.165 1.00 0.00 N ATOM 0 H GLN A 84 1.771 -8.726 -4.850 1.00 0.00 H new ATOM 0 HA GLN A 84 3.973 -7.271 -3.542 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.976 -6.946 -6.397 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.998 -5.778 -5.582 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.749 -7.535 -5.309 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.731 -8.664 -6.180 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.232 -8.945 -7.864 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.538 -7.683 -9.062 1.00 0.00 H new ATOM 1325 N PHE A 85 2.498 -5.155 -3.389 1.00 0.00 N ATOM 1326 CA PHE A 85 1.576 -4.074 -3.117 1.00 0.00 C ATOM 1327 C PHE A 85 2.043 -2.823 -3.834 1.00 0.00 C ATOM 1328 O PHE A 85 3.152 -2.336 -3.621 1.00 0.00 O ATOM 1329 CB PHE A 85 1.436 -3.822 -1.616 1.00 0.00 C ATOM 1330 CG PHE A 85 0.767 -4.953 -0.889 1.00 0.00 C ATOM 1331 CD1 PHE A 85 -0.614 -5.011 -0.799 1.00 0.00 C ATOM 1332 CD2 PHE A 85 1.515 -5.963 -0.311 1.00 0.00 C ATOM 1333 CE1 PHE A 85 -1.237 -6.056 -0.144 1.00 0.00 C ATOM 1334 CE2 PHE A 85 0.900 -7.012 0.343 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.478 -7.058 0.428 1.00 0.00 C ATOM 0 H PHE A 85 3.472 -4.942 -3.174 1.00 0.00 H new ATOM 0 HA PHE A 85 0.590 -4.355 -3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.425 -3.657 -1.188 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.864 -2.908 -1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.211 -4.230 -1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.593 -5.931 -0.372 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.315 -6.089 -0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.496 -7.796 0.788 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.961 -7.876 0.941 1.00 0.00 H new ATOM 1345 N HIS A 86 1.200 -2.322 -4.705 1.00 0.00 N ATOM 1346 CA HIS A 86 1.538 -1.178 -5.523 1.00 0.00 C ATOM 1347 C HIS A 86 0.720 0.016 -5.067 1.00 0.00 C ATOM 1348 O HIS A 86 -0.464 0.120 -5.377 1.00 0.00 O ATOM 1349 CB HIS A 86 1.267 -1.506 -6.998 1.00 0.00 C ATOM 1350 CG HIS A 86 1.730 -0.465 -7.972 1.00 0.00 C ATOM 1351 ND1 HIS A 86 1.248 -0.382 -9.261 1.00 0.00 N ATOM 1352 CD2 HIS A 86 2.647 0.527 -7.854 1.00 0.00 C ATOM 1353 CE1 HIS A 86 1.846 0.609 -9.891 1.00 0.00 C ATOM 1354 NE2 HIS A 86 2.697 1.175 -9.061 1.00 0.00 N ATOM 0 H HIS A 86 0.264 -2.693 -4.868 1.00 0.00 H new ATOM 0 HA HIS A 86 2.595 -0.935 -5.417 1.00 0.00 H new ATOM 0 HB2 HIS A 86 1.753 -2.451 -7.240 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.196 -1.656 -7.131 1.00 0.00 H new ATOM 0 HD2 HIS A 86 3.228 0.762 -6.975 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.668 0.906 -10.914 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.298 1.969 -9.281 1.00 0.00 H new ATOM 1363 N VAL A 87 1.346 0.911 -4.328 1.00 0.00 N ATOM 1364 CA VAL A 87 0.636 2.048 -3.775 1.00 0.00 C ATOM 1365 C VAL A 87 0.819 3.264 -4.660 1.00 0.00 C ATOM 1366 O VAL A 87 1.924 3.780 -4.800 1.00 0.00 O ATOM 1367 CB VAL A 87 1.095 2.375 -2.339 1.00 0.00 C ATOM 1368 CG1 VAL A 87 0.401 3.627 -1.825 1.00 0.00 C ATOM 1369 CG2 VAL A 87 0.827 1.202 -1.410 1.00 0.00 C ATOM 0 H VAL A 87 2.339 0.874 -4.097 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.420 1.780 -3.735 1.00 0.00 H new ATOM 0 HB VAL A 87 2.169 2.560 -2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.739 3.840 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.644 4.469 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.678 3.470 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.158 1.453 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.241 0.984 -1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.372 0.326 -1.763 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.267 3.703 -5.266 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.252 4.881 -6.105 1.00 0.00 C ATOM 1381 C ILE A 88 -0.824 6.052 -5.334 1.00 0.00 C ATOM 1382 O ILE A 88 -1.769 5.891 -4.565 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.057 4.687 -7.413 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -0.457 3.569 -8.268 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.113 5.974 -8.216 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -0.915 2.182 -7.875 1.00 0.00 C ATOM 0 H ILE A 88 -1.180 3.254 -5.190 1.00 0.00 H new ATOM 0 HA ILE A 88 0.784 5.071 -6.384 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.072 4.406 -7.131 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.717 3.744 -9.312 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.630 3.615 -8.198 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.684 5.808 -9.129 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.594 6.752 -7.623 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.101 6.287 -8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.446 1.445 -8.527 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.631 1.984 -6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.999 2.115 -7.973 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.244 7.214 -5.526 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.669 8.399 -4.827 1.00 0.00 C ATOM 1400 C PHE A 89 -1.495 9.293 -5.739 1.00 0.00 C ATOM 1401 O PHE A 89 -0.989 9.822 -6.733 1.00 0.00 O ATOM 1402 CB PHE A 89 0.543 9.147 -4.305 1.00 0.00 C ATOM 1403 CG PHE A 89 1.214 8.396 -3.210 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.583 8.249 -1.992 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.447 7.806 -3.404 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.170 7.526 -0.983 1.00 0.00 C ATOM 1407 CE2 PHE A 89 3.043 7.087 -2.396 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.400 6.947 -1.185 1.00 0.00 C ATOM 0 H PHE A 89 0.533 7.362 -6.170 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.296 8.106 -3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.248 9.314 -5.119 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.238 10.128 -3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.382 8.707 -1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.947 7.910 -4.356 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.667 7.413 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.011 6.634 -2.552 1.00 0.00 H new ATOM 0 HZ PHE A 89 2.864 6.380 -0.392 1.00 0.00 H new ATOM 1418 N ASP A 90 -2.766 9.451 -5.405 1.00 0.00 N ATOM 1419 CA ASP A 90 -3.659 10.301 -6.181 1.00 0.00 C ATOM 1420 C ASP A 90 -3.373 11.762 -5.876 1.00 0.00 C ATOM 1421 O ASP A 90 -3.572 12.224 -4.751 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.128 9.997 -5.865 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.492 8.540 -6.064 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -5.749 8.134 -7.221 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -5.548 7.801 -5.063 1.00 0.00 O ATOM 0 H ASP A 90 -3.204 9.002 -4.601 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.482 10.099 -7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.337 10.279 -4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.765 10.614 -6.499 1.00 0.00 H new ATOM 1430 N GLU A 91 -2.912 12.482 -6.883 1.00 0.00 N ATOM 1431 CA GLU A 91 -2.524 13.871 -6.719 1.00 0.00 C ATOM 1432 C GLU A 91 -3.693 14.785 -7.033 1.00 0.00 C ATOM 1433 O GLU A 91 -4.168 14.838 -8.171 1.00 0.00 O ATOM 1434 CB GLU A 91 -1.343 14.203 -7.625 1.00 0.00 C ATOM 1435 CG GLU A 91 -0.100 13.386 -7.329 1.00 0.00 C ATOM 1436 CD GLU A 91 1.021 13.681 -8.297 1.00 0.00 C ATOM 1437 OE1 GLU A 91 1.642 14.755 -8.176 1.00 0.00 O ATOM 1438 OE2 GLU A 91 1.281 12.845 -9.187 1.00 0.00 O ATOM 0 H GLU A 91 -2.797 12.123 -7.831 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.225 14.026 -5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.635 14.041 -8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.104 15.262 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.236 13.594 -6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.346 12.325 -7.373 1.00 0.00 H new