USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 613 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 34 CYS SG : rot -120:sc= 0.521 USER MOD Set 1.2: A 69 MET CE :methyl -178:sc= -0.655 (180deg=-0.675) USER MOD Set 2.1: A 29 ASN : amide:sc= 0.629 X(o=-0.49,f=-0.86) USER MOD Set 2.2: A 78 MET CE :methyl 178:sc= -1.12 (180deg=-0.827) USER MOD Single : A 14 LYS NZ :NH3+ -169:sc= 1.16 (180deg=0.948) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 66:sc= 0.224 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.0639 X(o=0.064,f=-0.074) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= 0.677 K(o=0.68,f=-2.3!) USER MOD Single : A 44 HIS : no HD1:sc= -0.0437 X(o=-0.044,f=-0.075) USER MOD Single : A 63 SER OG : rot 180:sc=-0.00986 USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= -0.0202 (180deg=-0.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= 1.78 (180deg=1.35) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 82 TYR OH : rot 113:sc= 0.0241 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.189 USER MOD Single : A 89 HIS : no HD1:sc= -0.687 K(o=-0.69,f=-1.5) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -160:sc= -0.123 (180deg=-0.827) USER MOD Single : A 98 LYS NZ :NH3+ 161:sc= 1.23 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -12.442 -3.670 2.552 1.00 0.00 N ATOM 127 CA PHE A 11 -12.328 -3.286 1.152 1.00 0.00 C ATOM 128 C PHE A 11 -11.124 -2.369 0.967 1.00 0.00 C ATOM 129 O PHE A 11 -11.214 -1.314 0.342 1.00 0.00 O ATOM 130 CB PHE A 11 -13.621 -2.617 0.684 1.00 0.00 C ATOM 131 CG PHE A 11 -14.884 -3.375 1.032 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.869 -4.773 1.149 1.00 0.00 C ATOM 133 CD2 PHE A 11 -16.079 -2.671 1.241 1.00 0.00 C ATOM 134 CE1 PHE A 11 -16.044 -5.463 1.475 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.254 -3.362 1.568 1.00 0.00 C ATOM 136 CZ PHE A 11 -17.236 -4.758 1.686 1.00 0.00 C ATOM 0 HA PHE A 11 -12.174 -4.175 0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.678 -1.621 1.122 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.577 -2.487 -0.397 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.951 -5.318 0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.094 -1.595 1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.031 -6.539 1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.173 -2.818 1.729 1.00 0.00 H new ATOM 0 HZ PHE A 11 -18.141 -5.290 1.940 1.00 0.00 H new ATOM 146 N VAL A 12 -9.987 -2.785 1.523 1.00 0.00 N ATOM 147 CA VAL A 12 -8.752 -2.019 1.496 1.00 0.00 C ATOM 148 C VAL A 12 -7.627 -2.947 1.059 1.00 0.00 C ATOM 149 O VAL A 12 -7.682 -4.151 1.311 1.00 0.00 O ATOM 150 CB VAL A 12 -8.481 -1.447 2.896 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.148 -0.701 2.954 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.586 -0.471 3.303 1.00 0.00 C ATOM 0 H VAL A 12 -9.902 -3.677 2.011 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.824 -1.187 0.796 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.451 -2.296 3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.993 -0.311 3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.337 -1.384 2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.162 0.125 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.375 -0.077 4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.627 0.351 2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.544 -0.990 3.314 1.00 0.00 H new ATOM 162 N VAL A 13 -6.605 -2.392 0.403 1.00 0.00 N ATOM 163 CA VAL A 13 -5.453 -3.176 -0.027 1.00 0.00 C ATOM 164 C VAL A 13 -4.149 -2.430 0.222 1.00 0.00 C ATOM 165 O VAL A 13 -4.125 -1.205 0.336 1.00 0.00 O ATOM 166 CB VAL A 13 -5.563 -3.552 -1.510 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.758 -4.472 -1.744 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.695 -2.322 -2.409 1.00 0.00 C ATOM 0 H VAL A 13 -6.555 -1.403 0.160 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.447 -4.090 0.567 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.640 -4.069 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.819 -4.727 -2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.637 -5.383 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.673 -3.964 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.770 -2.638 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.590 -1.765 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.819 -1.685 -2.285 1.00 0.00 H new ATOM 178 N LYS A 14 -3.060 -3.198 0.304 1.00 0.00 N ATOM 179 CA LYS A 14 -1.716 -2.671 0.468 1.00 0.00 C ATOM 180 C LYS A 14 -1.111 -2.414 -0.907 1.00 0.00 C ATOM 181 O LYS A 14 -1.586 -2.956 -1.904 1.00 0.00 O ATOM 182 CB LYS A 14 -0.842 -3.680 1.218 1.00 0.00 C ATOM 183 CG LYS A 14 -1.595 -4.349 2.369 1.00 0.00 C ATOM 184 CD LYS A 14 -0.625 -5.185 3.202 1.00 0.00 C ATOM 185 CE LYS A 14 -1.409 -6.072 4.165 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.506 -6.758 5.104 1.00 0.00 N ATOM 0 H LYS A 14 -3.094 -4.216 0.257 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.762 -1.744 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.491 -4.443 0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.041 -3.174 1.608 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.068 -3.593 2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.391 -4.982 1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.005 -5.799 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.048 -4.533 3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.126 -5.467 4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.982 -6.809 3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.034 -7.490 5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.273 -7.201 4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.119 -6.069 5.779 1.00 0.00 H new ATOM 200 N LEU A 15 -0.065 -1.588 -0.960 1.00 0.00 N ATOM 201 CA LEU A 15 0.629 -1.267 -2.192 1.00 0.00 C ATOM 202 C LEU A 15 2.132 -1.192 -1.914 1.00 0.00 C ATOM 203 O LEU A 15 2.547 -0.797 -0.825 1.00 0.00 O ATOM 204 CB LEU A 15 0.079 0.084 -2.658 1.00 0.00 C ATOM 205 CG LEU A 15 -0.022 0.288 -4.170 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.309 0.099 -4.892 1.00 0.00 C ATOM 207 CD2 LEU A 15 -1.059 -0.648 -4.788 1.00 0.00 C ATOM 0 H LEU A 15 0.322 -1.123 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 15 0.476 -2.021 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.914 0.216 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.712 0.871 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.331 1.325 -4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.169 0.258 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.035 0.817 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.676 -0.913 -4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.107 -0.478 -5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.775 -1.683 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.036 -0.452 -4.346 1.00 0.00 H new ATOM 219 N ARG A 16 2.948 -1.571 -2.898 1.00 0.00 N ATOM 220 CA ARG A 16 4.403 -1.525 -2.817 1.00 0.00 C ATOM 221 C ARG A 16 4.956 -1.397 -4.233 1.00 0.00 C ATOM 222 O ARG A 16 4.364 -1.925 -5.172 1.00 0.00 O ATOM 223 CB ARG A 16 4.894 -2.827 -2.168 1.00 0.00 C ATOM 224 CG ARG A 16 6.422 -2.932 -2.180 1.00 0.00 C ATOM 225 CD ARG A 16 6.887 -4.324 -1.758 1.00 0.00 C ATOM 226 NE ARG A 16 6.635 -4.600 -0.341 1.00 0.00 N ATOM 227 CZ ARG A 16 6.966 -5.754 0.244 1.00 0.00 C ATOM 228 NH1 ARG A 16 7.498 -6.746 -0.467 1.00 0.00 N ATOM 229 NH2 ARG A 16 6.762 -5.913 1.547 1.00 0.00 N ATOM 0 H ARG A 16 2.606 -1.926 -3.791 1.00 0.00 H new ATOM 0 HA ARG A 16 4.739 -0.678 -2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.535 -2.878 -1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.468 -3.679 -2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.796 -2.709 -3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.845 -2.186 -1.507 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.378 -5.072 -2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.954 -4.422 -1.959 1.00 0.00 H new ATOM 0 HE ARG A 16 6.187 -3.878 0.224 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.656 -6.628 -1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.747 -7.624 -0.011 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.354 -5.156 2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.013 -6.792 1.999 1.00 0.00 H new ATOM 243 N GLY A 17 6.083 -0.703 -4.401 1.00 0.00 N ATOM 244 CA GLY A 17 6.744 -0.632 -5.695 1.00 0.00 C ATOM 245 C GLY A 17 7.027 0.796 -6.134 1.00 0.00 C ATOM 246 O GLY A 17 6.997 1.719 -5.319 1.00 0.00 O ATOM 0 H GLY A 17 6.552 -0.186 -3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.682 -1.186 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.121 -1.121 -6.444 1.00 0.00 H new ATOM 250 N LEU A 18 7.302 0.954 -7.435 1.00 0.00 N ATOM 251 CA LEU A 18 7.608 2.231 -8.073 1.00 0.00 C ATOM 252 C LEU A 18 8.944 2.784 -7.558 1.00 0.00 C ATOM 253 O LEU A 18 9.528 2.200 -6.647 1.00 0.00 O ATOM 254 CB LEU A 18 6.437 3.202 -7.861 1.00 0.00 C ATOM 255 CG LEU A 18 5.104 2.591 -8.298 1.00 0.00 C ATOM 256 CD1 LEU A 18 4.012 3.656 -8.231 1.00 0.00 C ATOM 257 CD2 LEU A 18 5.217 2.067 -9.727 1.00 0.00 C ATOM 0 H LEU A 18 7.317 0.171 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 18 7.728 2.092 -9.147 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.382 3.480 -6.808 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.618 4.118 -8.423 1.00 0.00 H new ATOM 0 HG LEU A 18 4.852 1.765 -7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.061 3.223 -8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.926 4.025 -7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.268 4.482 -8.894 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.265 1.633 -10.032 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.473 2.888 -10.397 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.995 1.305 -9.775 1.00 0.00 H new ATOM 269 N PRO A 19 9.446 3.898 -8.120 1.00 0.00 N ATOM 270 CA PRO A 19 10.624 4.598 -7.625 1.00 0.00 C ATOM 271 C PRO A 19 10.545 4.911 -6.131 1.00 0.00 C ATOM 272 O PRO A 19 9.544 4.618 -5.479 1.00 0.00 O ATOM 273 CB PRO A 19 10.726 5.876 -8.459 1.00 0.00 C ATOM 274 CG PRO A 19 10.055 5.480 -9.771 1.00 0.00 C ATOM 275 CD PRO A 19 8.922 4.578 -9.291 1.00 0.00 C ATOM 0 HA PRO A 19 11.511 3.972 -7.728 1.00 0.00 H new ATOM 0 HB2 PRO A 19 10.216 6.712 -7.981 1.00 0.00 H new ATOM 0 HB3 PRO A 19 11.762 6.178 -8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.682 6.347 -10.316 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.740 4.955 -10.437 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.034 5.159 -9.044 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.632 3.865 -10.063 1.00 0.00 H new ATOM 283 N TRP A 20 11.604 5.512 -5.574 1.00 0.00 N ATOM 284 CA TRP A 20 11.638 5.850 -4.157 1.00 0.00 C ATOM 285 C TRP A 20 10.429 6.694 -3.737 1.00 0.00 C ATOM 286 O TRP A 20 10.130 6.776 -2.547 1.00 0.00 O ATOM 287 CB TRP A 20 12.912 6.626 -3.818 1.00 0.00 C ATOM 288 CG TRP A 20 14.243 5.952 -3.974 1.00 0.00 C ATOM 289 CD1 TRP A 20 15.361 6.592 -4.382 1.00 0.00 C ATOM 290 CD2 TRP A 20 14.656 4.564 -3.733 1.00 0.00 C ATOM 291 NE1 TRP A 20 16.429 5.725 -4.393 1.00 0.00 N ATOM 292 CE2 TRP A 20 16.061 4.470 -3.959 1.00 0.00 C ATOM 293 CE3 TRP A 20 14.010 3.382 -3.315 1.00 0.00 C ATOM 294 CZ2 TRP A 20 16.785 3.296 -3.732 1.00 0.00 C ATOM 295 CZ3 TRP A 20 14.734 2.200 -3.085 1.00 0.00 C ATOM 296 CH2 TRP A 20 16.115 2.165 -3.271 1.00 0.00 C ATOM 0 H TRP A 20 12.446 5.772 -6.088 1.00 0.00 H new ATOM 0 HA TRP A 20 11.614 4.906 -3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.924 7.523 -4.437 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.830 6.955 -2.782 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.409 7.635 -4.660 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.373 5.979 -4.685 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.940 3.385 -3.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.850 3.266 -3.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.215 1.310 -2.761 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.666 1.261 -3.058 1.00 0.00 H new ATOM 307 N SER A 21 9.737 7.315 -4.699 1.00 0.00 N ATOM 308 CA SER A 21 8.553 8.127 -4.445 1.00 0.00 C ATOM 309 C SER A 21 7.582 8.026 -5.621 1.00 0.00 C ATOM 310 O SER A 21 7.969 7.653 -6.727 1.00 0.00 O ATOM 311 CB SER A 21 8.956 9.590 -4.247 1.00 0.00 C ATOM 312 OG SER A 21 9.808 9.724 -3.128 1.00 0.00 O ATOM 0 H SER A 21 9.991 7.264 -5.686 1.00 0.00 H new ATOM 0 HA SER A 21 8.065 7.758 -3.543 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.460 9.958 -5.141 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.065 10.203 -4.108 1.00 0.00 H new ATOM 0 HG SER A 21 10.057 10.665 -3.017 1.00 0.00 H new ATOM 318 N CYS A 22 6.314 8.364 -5.372 1.00 0.00 N ATOM 319 CA CYS A 22 5.253 8.330 -6.363 1.00 0.00 C ATOM 320 C CYS A 22 4.140 9.305 -5.968 1.00 0.00 C ATOM 321 O CYS A 22 4.284 10.047 -4.995 1.00 0.00 O ATOM 322 CB CYS A 22 4.720 6.900 -6.447 1.00 0.00 C ATOM 323 SG CYS A 22 4.205 6.330 -4.807 1.00 0.00 S ATOM 0 H CYS A 22 5.997 8.675 -4.454 1.00 0.00 H new ATOM 0 HA CYS A 22 5.633 8.634 -7.338 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.877 6.858 -7.136 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.490 6.239 -6.845 1.00 0.00 H new ATOM 0 HG CYS A 22 3.183 7.027 -4.406 1.00 0.00 H new ATOM 329 N SER A 23 3.032 9.307 -6.718 1.00 0.00 N ATOM 330 CA SER A 23 1.906 10.194 -6.457 1.00 0.00 C ATOM 331 C SER A 23 0.584 9.440 -6.574 1.00 0.00 C ATOM 332 O SER A 23 0.527 8.340 -7.125 1.00 0.00 O ATOM 333 CB SER A 23 1.936 11.370 -7.435 1.00 0.00 C ATOM 334 OG SER A 23 3.142 12.093 -7.292 1.00 0.00 O ATOM 0 H SER A 23 2.896 8.692 -7.521 1.00 0.00 H new ATOM 0 HA SER A 23 1.990 10.574 -5.439 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.842 11.005 -8.458 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.086 12.027 -7.252 1.00 0.00 H new ATOM 0 HG SER A 23 3.151 12.842 -7.924 1.00 0.00 H new ATOM 340 N VAL A 24 -0.491 10.040 -6.049 1.00 0.00 N ATOM 341 CA VAL A 24 -1.797 9.394 -5.992 1.00 0.00 C ATOM 342 C VAL A 24 -2.375 9.148 -7.384 1.00 0.00 C ATOM 343 O VAL A 24 -3.297 8.347 -7.533 1.00 0.00 O ATOM 344 CB VAL A 24 -2.777 10.199 -5.120 1.00 0.00 C ATOM 345 CG1 VAL A 24 -2.064 11.198 -4.209 1.00 0.00 C ATOM 346 CG2 VAL A 24 -3.816 10.972 -5.924 1.00 0.00 C ATOM 0 H VAL A 24 -0.475 10.981 -5.655 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.652 8.419 -5.527 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.281 9.437 -4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.801 11.739 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.385 10.664 -3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.497 11.904 -4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.472 11.515 -5.244 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.313 11.678 -6.585 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.407 10.276 -6.519 1.00 0.00 H new ATOM 356 N GLU A 25 -1.846 9.825 -8.407 1.00 0.00 N ATOM 357 CA GLU A 25 -2.328 9.666 -9.768 1.00 0.00 C ATOM 358 C GLU A 25 -1.722 8.433 -10.429 1.00 0.00 C ATOM 359 O GLU A 25 -2.324 7.871 -11.341 1.00 0.00 O ATOM 360 CB GLU A 25 -1.966 10.907 -10.581 1.00 0.00 C ATOM 361 CG GLU A 25 -2.602 12.158 -9.973 1.00 0.00 C ATOM 362 CD GLU A 25 -2.351 13.381 -10.852 1.00 0.00 C ATOM 363 OE1 GLU A 25 -3.189 13.633 -11.747 1.00 0.00 O ATOM 364 OE2 GLU A 25 -1.322 14.056 -10.624 1.00 0.00 O ATOM 0 H GLU A 25 -1.079 10.491 -8.310 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.410 9.539 -9.736 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.883 11.023 -10.613 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.304 10.785 -11.610 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.675 12.004 -9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.193 12.331 -8.977 1.00 0.00 H new ATOM 371 N ASP A 26 -0.541 8.002 -9.980 1.00 0.00 N ATOM 372 CA ASP A 26 0.103 6.826 -10.542 1.00 0.00 C ATOM 373 C ASP A 26 -0.526 5.565 -9.961 1.00 0.00 C ATOM 374 O ASP A 26 -0.722 4.583 -10.675 1.00 0.00 O ATOM 375 CB ASP A 26 1.597 6.857 -10.214 1.00 0.00 C ATOM 376 CG ASP A 26 2.272 8.099 -10.788 1.00 0.00 C ATOM 377 OD1 ASP A 26 2.305 8.216 -12.034 1.00 0.00 O ATOM 378 OD2 ASP A 26 2.750 8.921 -9.974 1.00 0.00 O ATOM 0 H ASP A 26 -0.017 8.453 -9.230 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.030 6.824 -11.624 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.733 6.835 -9.133 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.077 5.964 -10.614 1.00 0.00 H new ATOM 383 N VAL A 27 -0.847 5.583 -8.666 1.00 0.00 N ATOM 384 CA VAL A 27 -1.441 4.420 -8.028 1.00 0.00 C ATOM 385 C VAL A 27 -2.861 4.184 -8.540 1.00 0.00 C ATOM 386 O VAL A 27 -3.248 3.036 -8.744 1.00 0.00 O ATOM 387 CB VAL A 27 -1.383 4.580 -6.506 1.00 0.00 C ATOM 388 CG1 VAL A 27 -2.219 5.760 -6.024 1.00 0.00 C ATOM 389 CG2 VAL A 27 -1.860 3.312 -5.806 1.00 0.00 C ATOM 0 H VAL A 27 -0.705 6.383 -8.049 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.868 3.530 -8.289 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.340 4.768 -6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.149 5.836 -4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.847 6.679 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.260 5.610 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.809 3.451 -4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.889 3.101 -6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.223 2.476 -6.094 1.00 0.00 H new ATOM 399 N GLN A 28 -3.655 5.239 -8.757 1.00 0.00 N ATOM 400 CA GLN A 28 -5.002 5.052 -9.278 1.00 0.00 C ATOM 401 C GLN A 28 -4.971 4.623 -10.744 1.00 0.00 C ATOM 402 O GLN A 28 -5.903 3.973 -11.214 1.00 0.00 O ATOM 403 CB GLN A 28 -5.834 6.322 -9.087 1.00 0.00 C ATOM 404 CG GLN A 28 -5.293 7.501 -9.893 1.00 0.00 C ATOM 405 CD GLN A 28 -6.086 8.766 -9.593 1.00 0.00 C ATOM 406 OE1 GLN A 28 -6.953 9.166 -10.365 1.00 0.00 O ATOM 407 NE2 GLN A 28 -5.795 9.408 -8.464 1.00 0.00 N ATOM 0 H GLN A 28 -3.391 6.209 -8.583 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.477 4.250 -8.713 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.864 6.126 -9.383 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.851 6.586 -8.030 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.241 7.660 -9.654 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.347 7.276 -10.958 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.069 9.048 -7.845 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.298 10.260 -8.218 1.00 0.00 H new ATOM 416 N ASN A 29 -3.906 4.980 -11.472 1.00 0.00 N ATOM 417 CA ASN A 29 -3.731 4.531 -12.846 1.00 0.00 C ATOM 418 C ASN A 29 -3.421 3.031 -12.896 1.00 0.00 C ATOM 419 O ASN A 29 -3.709 2.379 -13.898 1.00 0.00 O ATOM 420 CB ASN A 29 -2.611 5.353 -13.499 1.00 0.00 C ATOM 421 CG ASN A 29 -1.558 4.483 -14.174 1.00 0.00 C ATOM 422 OD1 ASN A 29 -1.590 4.273 -15.382 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.618 3.975 -13.381 1.00 0.00 N ATOM 0 H ASN A 29 -3.156 5.579 -11.127 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.657 4.685 -13.400 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.045 6.029 -14.236 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.132 5.973 -12.741 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.115 3.384 -13.773 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.631 4.176 -12.381 1.00 0.00 H new ATOM 430 N PHE A 30 -2.837 2.479 -11.827 1.00 0.00 N ATOM 431 CA PHE A 30 -2.451 1.074 -11.804 1.00 0.00 C ATOM 432 C PHE A 30 -3.622 0.164 -11.424 1.00 0.00 C ATOM 433 O PHE A 30 -3.653 -0.997 -11.830 1.00 0.00 O ATOM 434 CB PHE A 30 -1.286 0.909 -10.832 1.00 0.00 C ATOM 435 CG PHE A 30 -0.857 -0.528 -10.655 1.00 0.00 C ATOM 436 CD1 PHE A 30 0.014 -1.124 -11.575 1.00 0.00 C ATOM 437 CD2 PHE A 30 -1.341 -1.269 -9.567 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.392 -2.464 -11.414 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.978 -2.612 -9.417 1.00 0.00 C ATOM 440 CZ PHE A 30 -0.108 -3.210 -10.338 1.00 0.00 C ATOM 0 H PHE A 30 -2.624 2.988 -10.969 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.144 0.773 -12.806 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.438 1.493 -11.189 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.569 1.319 -9.863 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.394 -0.552 -12.408 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.994 -0.803 -8.844 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.069 -2.922 -12.120 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.369 -3.188 -8.591 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.177 -4.245 -10.219 1.00 0.00 H new ATOM 450 N LEU A 31 -4.582 0.678 -10.649 1.00 0.00 N ATOM 451 CA LEU A 31 -5.798 -0.052 -10.310 1.00 0.00 C ATOM 452 C LEU A 31 -6.921 0.462 -11.213 1.00 0.00 C ATOM 453 O LEU A 31 -7.989 0.848 -10.741 1.00 0.00 O ATOM 454 CB LEU A 31 -6.152 0.081 -8.819 1.00 0.00 C ATOM 455 CG LEU A 31 -5.153 -0.545 -7.836 1.00 0.00 C ATOM 456 CD1 LEU A 31 -4.618 -1.886 -8.331 1.00 0.00 C ATOM 457 CD2 LEU A 31 -4.003 0.408 -7.547 1.00 0.00 C ATOM 0 H LEU A 31 -4.534 1.612 -10.241 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.648 -1.118 -10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.251 1.140 -8.582 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.128 -0.375 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.697 -0.731 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.915 -2.289 -7.602 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.446 -2.583 -8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.110 -1.745 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.310 -0.060 -6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.481 0.640 -8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.393 1.327 -7.110 1.00 0.00 H new ATOM 469 N SER A 32 -6.654 0.461 -12.523 1.00 0.00 N ATOM 470 CA SER A 32 -7.515 1.001 -13.571 1.00 0.00 C ATOM 471 C SER A 32 -8.878 0.315 -13.700 1.00 0.00 C ATOM 472 O SER A 32 -9.607 0.587 -14.653 1.00 0.00 O ATOM 473 CB SER A 32 -6.766 0.919 -14.899 1.00 0.00 C ATOM 474 OG SER A 32 -6.462 -0.427 -15.205 1.00 0.00 O ATOM 0 H SER A 32 -5.791 0.065 -12.895 1.00 0.00 H new ATOM 0 HA SER A 32 -7.740 2.030 -13.292 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.372 1.352 -15.694 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.848 1.503 -14.844 1.00 0.00 H new ATOM 0 HG SER A 32 -5.983 -0.468 -16.059 1.00 0.00 H new ATOM 480 N ASP A 33 -9.236 -0.566 -12.762 1.00 0.00 N ATOM 481 CA ASP A 33 -10.520 -1.255 -12.766 1.00 0.00 C ATOM 482 C ASP A 33 -11.251 -1.029 -11.443 1.00 0.00 C ATOM 483 O ASP A 33 -12.311 -1.608 -11.218 1.00 0.00 O ATOM 484 CB ASP A 33 -10.317 -2.758 -12.981 1.00 0.00 C ATOM 485 CG ASP A 33 -9.406 -3.063 -14.166 1.00 0.00 C ATOM 486 OD1 ASP A 33 -9.860 -2.862 -15.315 1.00 0.00 O ATOM 487 OD2 ASP A 33 -8.261 -3.496 -13.908 1.00 0.00 O ATOM 0 H ASP A 33 -8.637 -0.820 -11.976 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.120 -0.851 -13.582 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.892 -3.196 -12.078 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.285 -3.233 -13.140 1.00 0.00 H new ATOM 492 N CYS A 34 -10.687 -0.191 -10.570 1.00 0.00 N ATOM 493 CA CYS A 34 -11.153 -0.024 -9.206 1.00 0.00 C ATOM 494 C CYS A 34 -11.439 1.441 -8.891 1.00 0.00 C ATOM 495 O CYS A 34 -11.323 2.315 -9.750 1.00 0.00 O ATOM 496 CB CYS A 34 -10.065 -0.563 -8.275 1.00 0.00 C ATOM 497 SG CYS A 34 -9.776 -2.317 -8.623 1.00 0.00 S ATOM 0 H CYS A 34 -9.884 0.394 -10.801 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.087 -0.569 -9.068 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.143 0.002 -8.413 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.366 -0.434 -7.235 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.016 -3.017 -7.554 1.00 0.00 H new ATOM 503 N THR A 35 -11.814 1.701 -7.637 1.00 0.00 N ATOM 504 CA THR A 35 -12.099 3.030 -7.122 1.00 0.00 C ATOM 505 C THR A 35 -11.333 3.187 -5.815 1.00 0.00 C ATOM 506 O THR A 35 -11.227 2.235 -5.048 1.00 0.00 O ATOM 507 CB THR A 35 -13.609 3.166 -6.905 1.00 0.00 C ATOM 508 OG1 THR A 35 -14.273 3.144 -8.149 1.00 0.00 O ATOM 509 CG2 THR A 35 -13.957 4.470 -6.192 1.00 0.00 C ATOM 0 H THR A 35 -11.929 0.968 -6.937 1.00 0.00 H new ATOM 0 HA THR A 35 -11.790 3.809 -7.818 1.00 0.00 H new ATOM 0 HB THR A 35 -13.929 2.329 -6.284 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.239 3.229 -8.006 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.037 4.533 -6.055 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.466 4.495 -5.219 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.618 5.314 -6.792 1.00 0.00 H new ATOM 517 N ILE A 36 -10.800 4.387 -5.562 1.00 0.00 N ATOM 518 CA ILE A 36 -9.922 4.646 -4.428 1.00 0.00 C ATOM 519 C ILE A 36 -10.722 5.288 -3.293 1.00 0.00 C ATOM 520 O ILE A 36 -10.274 6.234 -2.654 1.00 0.00 O ATOM 521 CB ILE A 36 -8.688 5.451 -4.880 1.00 0.00 C ATOM 522 CG1 ILE A 36 -7.907 4.686 -5.959 1.00 0.00 C ATOM 523 CG2 ILE A 36 -7.712 5.678 -3.722 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.414 4.985 -7.370 1.00 0.00 C ATOM 0 H ILE A 36 -10.970 5.207 -6.144 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.526 3.714 -4.026 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.064 6.402 -5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.851 4.947 -5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.983 3.616 -5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.854 6.249 -4.076 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.213 6.231 -2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.374 4.716 -3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.828 4.419 -8.095 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.463 4.698 -7.448 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.313 6.051 -7.575 1.00 0.00 H new ATOM 536 N HIS A 37 -11.923 4.749 -3.054 1.00 0.00 N ATOM 537 CA HIS A 37 -12.880 5.189 -2.041 1.00 0.00 C ATOM 538 C HIS A 37 -13.403 6.617 -2.255 1.00 0.00 C ATOM 539 O HIS A 37 -14.600 6.852 -2.096 1.00 0.00 O ATOM 540 CB HIS A 37 -12.254 4.981 -0.665 1.00 0.00 C ATOM 541 CG HIS A 37 -13.253 5.071 0.454 1.00 0.00 C ATOM 542 ND1 HIS A 37 -13.915 4.019 1.046 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.675 6.215 1.072 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.714 4.525 2.003 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.605 5.865 2.059 1.00 0.00 N ATOM 0 H HIS A 37 -12.268 3.954 -3.591 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.779 4.578 -2.127 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.771 4.004 -0.636 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.475 5.727 -0.510 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.817 3.033 0.803 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.347 7.217 0.839 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.356 3.935 2.640 1.00 0.00 H new ATOM 553 N ASP A 38 -12.528 7.562 -2.613 1.00 0.00 N ATOM 554 CA ASP A 38 -12.887 8.918 -3.014 1.00 0.00 C ATOM 555 C ASP A 38 -11.888 9.466 -4.041 1.00 0.00 C ATOM 556 O ASP A 38 -12.063 10.585 -4.522 1.00 0.00 O ATOM 557 CB ASP A 38 -12.904 9.856 -1.802 1.00 0.00 C ATOM 558 CG ASP A 38 -14.113 9.642 -0.895 1.00 0.00 C ATOM 559 OD1 ASP A 38 -15.248 9.711 -1.416 1.00 0.00 O ATOM 560 OD2 ASP A 38 -13.894 9.414 0.316 1.00 0.00 O ATOM 0 H ASP A 38 -11.522 7.396 -2.631 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.881 8.873 -3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.992 9.708 -1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.897 10.889 -2.150 1.00 0.00 H new ATOM 565 N GLY A 39 -10.845 8.700 -4.385 1.00 0.00 N ATOM 566 CA GLY A 39 -9.820 9.159 -5.308 1.00 0.00 C ATOM 567 C GLY A 39 -8.618 9.664 -4.519 1.00 0.00 C ATOM 568 O GLY A 39 -8.086 8.962 -3.663 1.00 0.00 O ATOM 0 H GLY A 39 -10.696 7.755 -4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.520 8.346 -5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.214 9.955 -5.940 1.00 0.00 H new ATOM 572 N ALA A 40 -8.196 10.893 -4.818 1.00 0.00 N ATOM 573 CA ALA A 40 -7.121 11.575 -4.111 1.00 0.00 C ATOM 574 C ALA A 40 -7.467 11.831 -2.636 1.00 0.00 C ATOM 575 O ALA A 40 -6.710 12.493 -1.929 1.00 0.00 O ATOM 576 CB ALA A 40 -6.835 12.892 -4.828 1.00 0.00 C ATOM 0 H ALA A 40 -8.601 11.449 -5.572 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.238 10.936 -4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.032 13.419 -4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.536 12.689 -5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.733 13.509 -4.827 1.00 0.00 H new ATOM 582 N ALA A 41 -8.607 11.307 -2.175 1.00 0.00 N ATOM 583 CA ALA A 41 -9.083 11.449 -0.808 1.00 0.00 C ATOM 584 C ALA A 41 -9.217 10.085 -0.126 1.00 0.00 C ATOM 585 O ALA A 41 -9.882 9.962 0.902 1.00 0.00 O ATOM 586 CB ALA A 41 -10.396 12.230 -0.814 1.00 0.00 C ATOM 0 H ALA A 41 -9.236 10.759 -2.763 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.355 12.010 -0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.759 12.340 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.231 13.216 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.137 11.692 -1.406 1.00 0.00 H new ATOM 592 N GLY A 42 -8.582 9.059 -0.703 1.00 0.00 N ATOM 593 CA GLY A 42 -8.550 7.718 -0.134 1.00 0.00 C ATOM 594 C GLY A 42 -7.177 7.066 -0.308 1.00 0.00 C ATOM 595 O GLY A 42 -6.991 5.909 0.068 1.00 0.00 O ATOM 0 H GLY A 42 -8.074 9.142 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.799 7.766 0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.310 7.101 -0.613 1.00 0.00 H new ATOM 599 N VAL A 43 -6.212 7.800 -0.873 1.00 0.00 N ATOM 600 CA VAL A 43 -4.843 7.320 -1.017 1.00 0.00 C ATOM 601 C VAL A 43 -4.146 7.334 0.346 1.00 0.00 C ATOM 602 O VAL A 43 -4.582 8.031 1.263 1.00 0.00 O ATOM 603 CB VAL A 43 -4.087 8.209 -2.019 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.659 9.523 -1.363 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.857 7.465 -2.542 1.00 0.00 C ATOM 0 H VAL A 43 -6.362 8.740 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.852 6.297 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.754 8.440 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.126 10.136 -2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.541 10.059 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.004 9.311 -0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.324 8.098 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.199 7.219 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.171 6.547 -3.039 1.00 0.00 H new ATOM 615 N HIS A 44 -3.062 6.565 0.480 1.00 0.00 N ATOM 616 CA HIS A 44 -2.218 6.561 1.668 1.00 0.00 C ATOM 617 C HIS A 44 -0.793 6.181 1.281 1.00 0.00 C ATOM 618 O HIS A 44 -0.575 5.580 0.232 1.00 0.00 O ATOM 619 CB HIS A 44 -2.738 5.539 2.676 1.00 0.00 C ATOM 620 CG HIS A 44 -3.952 5.994 3.435 1.00 0.00 C ATOM 621 ND1 HIS A 44 -4.012 7.005 4.365 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.208 5.468 3.325 1.00 0.00 C ATOM 623 CE1 HIS A 44 -5.279 7.076 4.807 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.053 6.160 4.200 1.00 0.00 N ATOM 0 H HIS A 44 -2.746 5.921 -0.245 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.234 7.556 2.112 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.976 4.614 2.151 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.944 5.307 3.386 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.499 4.657 2.674 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.629 7.776 5.551 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.050 6.002 4.347 1.00 0.00 H new ATOM 632 N PHE A 45 0.174 6.535 2.132 1.00 0.00 N ATOM 633 CA PHE A 45 1.584 6.253 1.911 1.00 0.00 C ATOM 634 C PHE A 45 2.293 6.062 3.250 1.00 0.00 C ATOM 635 O PHE A 45 1.715 6.334 4.301 1.00 0.00 O ATOM 636 CB PHE A 45 2.212 7.418 1.145 1.00 0.00 C ATOM 637 CG PHE A 45 1.647 7.601 -0.246 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.050 6.746 -1.283 1.00 0.00 C ATOM 639 CD2 PHE A 45 0.720 8.620 -0.500 1.00 0.00 C ATOM 640 CE1 PHE A 45 1.509 6.899 -2.566 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.185 8.775 -1.786 1.00 0.00 C ATOM 642 CZ PHE A 45 0.574 7.912 -2.818 1.00 0.00 C ATOM 0 H PHE A 45 -0.009 7.032 3.004 1.00 0.00 H new ATOM 0 HA PHE A 45 1.688 5.337 1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.064 8.337 1.712 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.288 7.257 1.073 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.777 5.970 -1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.418 9.286 0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.813 6.235 -3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.529 9.562 -1.982 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.154 8.027 -3.806 1.00 0.00 H new ATOM 652 N ILE A 46 3.545 5.594 3.217 1.00 0.00 N ATOM 653 CA ILE A 46 4.329 5.369 4.425 1.00 0.00 C ATOM 654 C ILE A 46 5.733 5.927 4.200 1.00 0.00 C ATOM 655 O ILE A 46 6.301 5.752 3.122 1.00 0.00 O ATOM 656 CB ILE A 46 4.363 3.874 4.759 1.00 0.00 C ATOM 657 CG1 ILE A 46 2.978 3.254 4.539 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.800 3.689 6.218 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.996 1.759 4.809 1.00 0.00 C ATOM 0 H ILE A 46 4.037 5.363 2.354 1.00 0.00 H new ATOM 0 HA ILE A 46 3.877 5.880 5.275 1.00 0.00 H new ATOM 0 HB ILE A 46 5.075 3.373 4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.253 3.736 5.195 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.653 3.437 3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.825 2.626 6.458 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.793 4.116 6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.093 4.193 6.876 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.000 1.348 4.645 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.704 1.276 4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.297 1.579 5.841 1.00 0.00 H new ATOM 826 N ALA A 57 2.744 1.528 0.765 1.00 0.00 N ATOM 827 CA ALA A 57 1.583 2.395 0.828 1.00 0.00 C ATOM 828 C ALA A 57 0.311 1.560 0.981 1.00 0.00 C ATOM 829 O ALA A 57 0.376 0.337 1.095 1.00 0.00 O ATOM 830 CB ALA A 57 1.541 3.196 -0.475 1.00 0.00 C ATOM 0 HA ALA A 57 1.646 3.064 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.678 3.862 -0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.453 3.785 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.462 2.512 -1.320 1.00 0.00 H new ATOM 836 N PHE A 58 -0.849 2.222 0.984 1.00 0.00 N ATOM 837 CA PHE A 58 -2.141 1.546 0.997 1.00 0.00 C ATOM 838 C PHE A 58 -3.109 2.262 0.061 1.00 0.00 C ATOM 839 O PHE A 58 -2.856 3.388 -0.370 1.00 0.00 O ATOM 840 CB PHE A 58 -2.747 1.536 2.402 1.00 0.00 C ATOM 841 CG PHE A 58 -1.921 0.881 3.480 1.00 0.00 C ATOM 842 CD1 PHE A 58 -2.035 -0.492 3.744 1.00 0.00 C ATOM 843 CD2 PHE A 58 -1.040 1.667 4.231 1.00 0.00 C ATOM 844 CE1 PHE A 58 -1.289 -1.068 4.783 1.00 0.00 C ATOM 845 CE2 PHE A 58 -0.306 1.095 5.273 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.428 -0.274 5.553 1.00 0.00 C ATOM 0 H PHE A 58 -0.915 3.240 0.977 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.981 0.519 0.669 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.941 2.567 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.712 1.031 2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.696 -1.104 3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.927 2.717 4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.378 -2.124 4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.357 1.709 5.865 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.140 -0.715 6.359 1.00 0.00 H new ATOM 856 N VAL A 59 -4.224 1.600 -0.251 1.00 0.00 N ATOM 857 CA VAL A 59 -5.257 2.147 -1.115 1.00 0.00 C ATOM 858 C VAL A 59 -6.620 1.697 -0.604 1.00 0.00 C ATOM 859 O VAL A 59 -6.958 0.516 -0.688 1.00 0.00 O ATOM 860 CB VAL A 59 -5.039 1.662 -2.556 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.078 2.276 -3.491 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.656 2.057 -3.076 1.00 0.00 C ATOM 0 H VAL A 59 -4.432 0.663 0.094 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.211 3.236 -1.106 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.130 0.576 -2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.908 1.921 -4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.077 1.984 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.992 3.362 -3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.535 1.698 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.557 3.142 -3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.888 1.612 -2.442 1.00 0.00 H new ATOM 872 N GLU A 60 -7.411 2.632 -0.070 1.00 0.00 N ATOM 873 CA GLU A 60 -8.780 2.335 0.323 1.00 0.00 C ATOM 874 C GLU A 60 -9.619 2.166 -0.940 1.00 0.00 C ATOM 875 O GLU A 60 -9.299 2.760 -1.969 1.00 0.00 O ATOM 876 CB GLU A 60 -9.358 3.484 1.154 1.00 0.00 C ATOM 877 CG GLU A 60 -8.595 3.685 2.462 1.00 0.00 C ATOM 878 CD GLU A 60 -9.258 4.775 3.304 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.331 5.926 2.819 1.00 0.00 O ATOM 880 OE2 GLU A 60 -9.691 4.446 4.432 1.00 0.00 O ATOM 0 H GLU A 60 -7.123 3.596 0.097 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.795 1.425 0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.327 4.404 0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.406 3.281 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.568 2.750 3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.562 3.959 2.249 1.00 0.00 H new ATOM 887 N LEU A 61 -10.687 1.367 -0.875 1.00 0.00 N ATOM 888 CA LEU A 61 -11.569 1.176 -2.018 1.00 0.00 C ATOM 889 C LEU A 61 -13.029 1.343 -1.613 1.00 0.00 C ATOM 890 O LEU A 61 -13.332 1.666 -0.464 1.00 0.00 O ATOM 891 CB LEU A 61 -11.366 -0.206 -2.641 1.00 0.00 C ATOM 892 CG LEU A 61 -9.892 -0.604 -2.785 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.808 -2.108 -2.996 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.255 0.077 -3.992 1.00 0.00 C ATOM 0 H LEU A 61 -10.958 0.845 -0.042 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.317 1.937 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.876 -0.950 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.836 -0.225 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.364 -0.298 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.764 -2.403 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.247 -2.621 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.353 -2.380 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.210 -0.223 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.785 -0.217 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.314 1.159 -3.872 1.00 0.00 H new ATOM 906 N GLY A 62 -13.937 1.124 -2.567 1.00 0.00 N ATOM 907 CA GLY A 62 -15.354 1.355 -2.353 1.00 0.00 C ATOM 908 C GLY A 62 -16.139 0.095 -1.991 1.00 0.00 C ATOM 909 O GLY A 62 -17.099 0.185 -1.228 1.00 0.00 O ATOM 0 H GLY A 62 -13.706 0.784 -3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.476 2.089 -1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.782 1.791 -3.256 1.00 0.00 H new ATOM 913 N SER A 63 -15.748 -1.071 -2.520 1.00 0.00 N ATOM 914 CA SER A 63 -16.497 -2.303 -2.293 1.00 0.00 C ATOM 915 C SER A 63 -15.597 -3.535 -2.359 1.00 0.00 C ATOM 916 O SER A 63 -14.430 -3.449 -2.737 1.00 0.00 O ATOM 917 CB SER A 63 -17.591 -2.442 -3.357 1.00 0.00 C ATOM 918 OG SER A 63 -18.504 -1.367 -3.292 1.00 0.00 O ATOM 0 H SER A 63 -14.920 -1.182 -3.105 1.00 0.00 H new ATOM 0 HA SER A 63 -16.931 -2.243 -1.295 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.137 -2.478 -4.347 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.122 -3.383 -3.216 1.00 0.00 H new ATOM 0 HG SER A 63 -19.191 -1.479 -3.982 1.00 0.00 H new ATOM 924 N GLU A 64 -16.154 -4.692 -1.986 1.00 0.00 N ATOM 925 CA GLU A 64 -15.459 -5.970 -2.047 1.00 0.00 C ATOM 926 C GLU A 64 -15.038 -6.290 -3.479 1.00 0.00 C ATOM 927 O GLU A 64 -14.043 -6.978 -3.700 1.00 0.00 O ATOM 928 CB GLU A 64 -16.398 -7.064 -1.531 1.00 0.00 C ATOM 929 CG GLU A 64 -15.741 -8.441 -1.631 1.00 0.00 C ATOM 930 CD GLU A 64 -16.642 -9.519 -1.031 1.00 0.00 C ATOM 931 OE1 GLU A 64 -17.481 -10.056 -1.789 1.00 0.00 O ATOM 932 OE2 GLU A 64 -16.482 -9.798 0.178 1.00 0.00 O ATOM 0 H GLU A 64 -17.108 -4.762 -1.631 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.561 -5.919 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.666 -6.859 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.323 -7.056 -2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.533 -8.675 -2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.783 -8.430 -1.110 1.00 0.00 H new ATOM 939 N ASP A 65 -15.785 -5.797 -4.466 1.00 0.00 N ATOM 940 CA ASP A 65 -15.456 -6.080 -5.849 1.00 0.00 C ATOM 941 C ASP A 65 -14.171 -5.358 -6.252 1.00 0.00 C ATOM 942 O ASP A 65 -13.444 -5.831 -7.123 1.00 0.00 O ATOM 943 CB ASP A 65 -16.627 -5.651 -6.732 1.00 0.00 C ATOM 944 CG ASP A 65 -16.439 -6.086 -8.182 1.00 0.00 C ATOM 945 OD1 ASP A 65 -16.198 -7.296 -8.396 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.537 -5.207 -9.065 1.00 0.00 O ATOM 0 H ASP A 65 -16.608 -5.210 -4.331 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.284 -7.149 -5.976 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.551 -6.079 -6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.735 -4.567 -6.690 1.00 0.00 H new ATOM 951 N ASP A 66 -13.880 -4.215 -5.623 1.00 0.00 N ATOM 952 CA ASP A 66 -12.688 -3.445 -5.930 1.00 0.00 C ATOM 953 C ASP A 66 -11.456 -4.090 -5.304 1.00 0.00 C ATOM 954 O ASP A 66 -10.389 -4.080 -5.915 1.00 0.00 O ATOM 955 CB ASP A 66 -12.859 -2.028 -5.386 1.00 0.00 C ATOM 956 CG ASP A 66 -13.989 -1.283 -6.090 1.00 0.00 C ATOM 957 OD1 ASP A 66 -13.731 -0.765 -7.198 1.00 0.00 O ATOM 958 OD2 ASP A 66 -15.098 -1.240 -5.514 1.00 0.00 O ATOM 0 H ASP A 66 -14.464 -3.807 -4.893 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.550 -3.417 -7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.064 -2.072 -4.316 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.927 -1.476 -5.510 1.00 0.00 H new ATOM 963 N VAL A 67 -11.583 -4.654 -4.097 1.00 0.00 N ATOM 964 CA VAL A 67 -10.439 -5.290 -3.456 1.00 0.00 C ATOM 965 C VAL A 67 -10.079 -6.556 -4.214 1.00 0.00 C ATOM 966 O VAL A 67 -8.900 -6.845 -4.386 1.00 0.00 O ATOM 967 CB VAL A 67 -10.691 -5.549 -1.962 1.00 0.00 C ATOM 968 CG1 VAL A 67 -12.104 -6.014 -1.649 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.721 -6.582 -1.392 1.00 0.00 C ATOM 0 H VAL A 67 -12.449 -4.681 -3.559 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.586 -4.612 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.535 -4.578 -1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.204 -6.176 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.817 -5.254 -1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.306 -6.946 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.933 -6.736 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.838 -7.525 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.698 -6.224 -1.508 1.00 0.00 H new ATOM 979 N LYS A 68 -11.071 -7.320 -4.675 1.00 0.00 N ATOM 980 CA LYS A 68 -10.792 -8.502 -5.468 1.00 0.00 C ATOM 981 C LYS A 68 -10.066 -8.120 -6.754 1.00 0.00 C ATOM 982 O LYS A 68 -9.076 -8.753 -7.116 1.00 0.00 O ATOM 983 CB LYS A 68 -12.113 -9.207 -5.774 1.00 0.00 C ATOM 984 CG LYS A 68 -12.640 -9.894 -4.515 1.00 0.00 C ATOM 985 CD LYS A 68 -13.997 -10.528 -4.813 1.00 0.00 C ATOM 986 CE LYS A 68 -14.523 -11.282 -3.592 1.00 0.00 C ATOM 987 NZ LYS A 68 -13.679 -12.450 -3.269 1.00 0.00 N ATOM 0 H LYS A 68 -12.061 -7.138 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.142 -9.178 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.844 -8.486 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.968 -9.942 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.936 -10.656 -4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.734 -9.171 -3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.709 -9.755 -5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.907 -11.212 -5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.557 -10.609 -2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.545 -11.612 -3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.182 -13.067 -2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.472 -12.980 -4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.788 -12.127 -2.840 1.00 0.00 H new ATOM 1001 N MET A 69 -10.549 -7.085 -7.448 1.00 0.00 N ATOM 1002 CA MET A 69 -9.958 -6.653 -8.707 1.00 0.00 C ATOM 1003 C MET A 69 -8.567 -6.052 -8.520 1.00 0.00 C ATOM 1004 O MET A 69 -7.765 -6.083 -9.451 1.00 0.00 O ATOM 1005 CB MET A 69 -10.880 -5.637 -9.377 1.00 0.00 C ATOM 1006 CG MET A 69 -12.058 -6.357 -10.032 1.00 0.00 C ATOM 1007 SD MET A 69 -13.064 -5.313 -11.119 1.00 0.00 S ATOM 1008 CE MET A 69 -13.489 -3.992 -9.959 1.00 0.00 C ATOM 0 H MET A 69 -11.353 -6.531 -7.152 1.00 0.00 H new ATOM 0 HA MET A 69 -9.844 -7.533 -9.340 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.244 -4.922 -8.640 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.327 -5.070 -10.126 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.677 -7.200 -10.609 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.697 -6.768 -9.250 1.00 0.00 H new ATOM 0 HE1 MET A 69 -14.141 -3.271 -10.452 1.00 0.00 H new ATOM 0 HE2 MET A 69 -14.003 -4.416 -9.097 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.579 -3.491 -9.629 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.266 -5.507 -7.340 1.00 0.00 N ATOM 1019 CA ALA A 70 -6.945 -4.967 -7.062 1.00 0.00 C ATOM 1020 C ALA A 70 -5.918 -6.090 -6.900 1.00 0.00 C ATOM 1021 O ALA A 70 -4.740 -5.907 -7.207 1.00 0.00 O ATOM 1022 CB ALA A 70 -7.013 -4.121 -5.793 1.00 0.00 C ATOM 0 H ALA A 70 -8.924 -5.430 -6.564 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.628 -4.347 -7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.027 -3.711 -5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.721 -3.305 -5.937 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.340 -4.742 -4.959 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.362 -7.253 -6.416 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.506 -8.411 -6.204 1.00 0.00 C ATOM 1030 C LEU A 71 -5.232 -9.164 -7.506 1.00 0.00 C ATOM 1031 O LEU A 71 -4.307 -9.971 -7.566 1.00 0.00 O ATOM 1032 CB LEU A 71 -6.181 -9.329 -5.183 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.384 -8.586 -3.859 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.299 -9.389 -2.943 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -5.055 -8.325 -3.165 1.00 0.00 C ATOM 0 H LEU A 71 -7.336 -7.413 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.540 -8.073 -5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.142 -9.670 -5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.570 -10.217 -5.021 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.848 -7.624 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.437 -8.852 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.266 -9.529 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.850 -10.362 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.231 -7.796 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.560 -9.274 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.421 -7.718 -3.810 1.00 0.00 H new ATOM 1047 N LYS A 72 -6.028 -8.910 -8.550 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.823 -9.528 -9.860 1.00 0.00 C ATOM 1049 C LYS A 72 -4.549 -9.053 -10.561 1.00 0.00 C ATOM 1050 O LYS A 72 -4.198 -9.590 -11.609 1.00 0.00 O ATOM 1051 CB LYS A 72 -7.016 -9.244 -10.774 1.00 0.00 C ATOM 1052 CG LYS A 72 -8.325 -9.802 -10.214 1.00 0.00 C ATOM 1053 CD LYS A 72 -8.271 -11.319 -10.016 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.565 -11.776 -9.348 1.00 0.00 C ATOM 1055 NZ LYS A 72 -9.587 -13.241 -9.176 1.00 0.00 N ATOM 0 H LYS A 72 -6.826 -8.275 -8.510 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.721 -10.597 -9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.114 -8.168 -10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.829 -9.679 -11.756 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.544 -9.321 -9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.142 -9.555 -10.892 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.145 -11.820 -10.976 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.413 -11.589 -9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.667 -11.291 -8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.418 -11.465 -9.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.478 -13.524 -8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.513 -13.701 -10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.785 -13.533 -8.581 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.854 -8.057 -10.000 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.620 -7.533 -10.573 1.00 0.00 C ATOM 1071 C LYS A 73 -1.565 -7.351 -9.489 1.00 0.00 C ATOM 1072 O LYS A 73 -0.689 -6.495 -9.588 1.00 0.00 O ATOM 1073 CB LYS A 73 -2.887 -6.236 -11.344 1.00 0.00 C ATOM 1074 CG LYS A 73 -3.378 -5.111 -10.438 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.902 -5.043 -10.369 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.480 -4.551 -11.698 1.00 0.00 C ATOM 1077 NZ LYS A 73 -6.948 -4.427 -11.628 1.00 0.00 N ATOM 0 H LYS A 73 -4.136 -7.595 -9.136 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.229 -8.256 -11.289 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.973 -5.921 -11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.629 -6.424 -12.120 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.978 -5.255 -9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.991 -4.159 -10.802 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.305 -6.028 -10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.205 -4.374 -9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.043 -3.586 -11.953 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.209 -5.244 -12.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.338 -4.376 -12.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.343 -5.254 -11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.199 -3.563 -11.107 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.679 -8.180 -8.453 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.827 -8.194 -7.271 1.00 0.00 C ATOM 1093 C ASP A 74 0.684 -8.086 -7.501 1.00 0.00 C ATOM 1094 O ASP A 74 1.400 -7.832 -6.533 1.00 0.00 O ATOM 1095 CB ASP A 74 -1.152 -9.440 -6.445 1.00 0.00 C ATOM 1096 CG ASP A 74 -0.656 -10.729 -7.104 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -0.864 -10.884 -8.327 1.00 0.00 O ATOM 1098 OD2 ASP A 74 -0.068 -11.554 -6.370 1.00 0.00 O ATOM 0 H ASP A 74 -2.405 -8.895 -8.416 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.064 -7.271 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.701 -9.344 -5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.230 -9.503 -6.298 1.00 0.00 H new ATOM 1103 N ARG A 75 1.192 -8.267 -8.728 1.00 0.00 N ATOM 1104 CA ARG A 75 2.621 -8.123 -9.012 1.00 0.00 C ATOM 1105 C ARG A 75 2.886 -7.603 -10.433 1.00 0.00 C ATOM 1106 O ARG A 75 3.978 -7.807 -10.962 1.00 0.00 O ATOM 1107 CB ARG A 75 3.363 -9.443 -8.784 1.00 0.00 C ATOM 1108 CG ARG A 75 3.293 -9.904 -7.332 1.00 0.00 C ATOM 1109 CD ARG A 75 4.086 -11.196 -7.186 1.00 0.00 C ATOM 1110 NE ARG A 75 5.498 -11.022 -7.552 1.00 0.00 N ATOM 1111 CZ ARG A 75 6.068 -11.539 -8.646 1.00 0.00 C ATOM 1112 NH1 ARG A 75 5.369 -12.282 -9.503 1.00 0.00 N ATOM 1113 NH2 ARG A 75 7.356 -11.311 -8.889 1.00 0.00 N ATOM 0 H ARG A 75 0.629 -8.515 -9.541 1.00 0.00 H new ATOM 0 HA ARG A 75 3.003 -7.378 -8.314 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.937 -10.212 -9.428 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.407 -9.325 -9.075 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.698 -9.136 -6.673 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.256 -10.063 -7.036 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.019 -11.547 -6.156 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.641 -11.967 -7.815 1.00 0.00 H new ATOM 0 HE ARG A 75 6.085 -10.468 -6.928 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.381 -12.466 -9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.822 -12.667 -10.332 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.904 -10.744 -8.242 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.795 -11.703 -9.722 1.00 0.00 H new ATOM 1127 N GLU A 76 1.911 -6.936 -11.065 1.00 0.00 N ATOM 1128 CA GLU A 76 2.070 -6.424 -12.427 1.00 0.00 C ATOM 1129 C GLU A 76 3.031 -5.235 -12.498 1.00 0.00 C ATOM 1130 O GLU A 76 3.769 -4.950 -11.558 1.00 0.00 O ATOM 1131 CB GLU A 76 0.723 -6.019 -13.027 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.224 -7.207 -13.079 1.00 0.00 C ATOM 1133 CD GLU A 76 0.409 -8.432 -13.739 1.00 0.00 C ATOM 1134 OE1 GLU A 76 0.743 -8.332 -14.942 1.00 0.00 O ATOM 1135 OE2 GLU A 76 0.556 -9.457 -13.038 1.00 0.00 O ATOM 0 H GLU A 76 1.000 -6.739 -10.650 1.00 0.00 H new ATOM 0 HA GLU A 76 2.497 -7.241 -13.008 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.280 -5.221 -12.432 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.872 -5.622 -14.031 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.535 -7.464 -12.066 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.123 -6.927 -13.627 1.00 0.00 H new ATOM 1142 N SER A 77 3.012 -4.538 -13.637 1.00 0.00 N ATOM 1143 CA SER A 77 3.910 -3.421 -13.904 1.00 0.00 C ATOM 1144 C SER A 77 3.233 -2.344 -14.752 1.00 0.00 C ATOM 1145 O SER A 77 2.311 -2.634 -15.514 1.00 0.00 O ATOM 1146 CB SER A 77 5.149 -3.949 -14.630 1.00 0.00 C ATOM 1147 OG SER A 77 4.776 -4.559 -15.848 1.00 0.00 O ATOM 0 H SER A 77 2.368 -4.737 -14.402 1.00 0.00 H new ATOM 0 HA SER A 77 4.189 -2.964 -12.955 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.843 -3.131 -14.822 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.671 -4.669 -13.999 1.00 0.00 H new ATOM 0 HG SER A 77 5.576 -4.892 -16.306 1.00 0.00 H new ATOM 1153 N MET A 78 3.694 -1.093 -14.616 1.00 0.00 N ATOM 1154 CA MET A 78 3.190 0.013 -15.425 1.00 0.00 C ATOM 1155 C MET A 78 3.773 -0.008 -16.839 1.00 0.00 C ATOM 1156 O MET A 78 3.158 0.531 -17.757 1.00 0.00 O ATOM 1157 CB MET A 78 3.545 1.346 -14.763 1.00 0.00 C ATOM 1158 CG MET A 78 2.673 1.602 -13.536 1.00 0.00 C ATOM 1159 SD MET A 78 3.151 3.084 -12.611 1.00 0.00 S ATOM 1160 CE MET A 78 1.960 2.966 -11.254 1.00 0.00 C ATOM 0 H MET A 78 4.418 -0.826 -13.949 1.00 0.00 H new ATOM 0 HA MET A 78 2.108 -0.100 -15.495 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.595 1.342 -14.472 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.416 2.157 -15.480 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.634 1.699 -13.851 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.726 0.737 -12.875 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.125 3.784 -10.553 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.947 3.028 -11.652 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.089 2.014 -10.738 1.00 0.00 H new ATOM 1170 N GLY A 79 4.946 -0.623 -17.023 1.00 0.00 N ATOM 1171 CA GLY A 79 5.573 -0.727 -18.335 1.00 0.00 C ATOM 1172 C GLY A 79 7.076 -0.444 -18.300 1.00 0.00 C ATOM 1173 O GLY A 79 7.783 -0.791 -19.245 1.00 0.00 O ATOM 0 H GLY A 79 5.480 -1.058 -16.270 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.406 -1.728 -18.734 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.092 -0.027 -19.018 1.00 0.00 H new ATOM 1177 N HIS A 80 7.569 0.182 -17.224 1.00 0.00 N ATOM 1178 CA HIS A 80 8.985 0.510 -17.078 1.00 0.00 C ATOM 1179 C HIS A 80 9.474 0.258 -15.650 1.00 0.00 C ATOM 1180 O HIS A 80 10.666 0.379 -15.369 1.00 0.00 O ATOM 1181 CB HIS A 80 9.212 1.972 -17.468 1.00 0.00 C ATOM 1182 CG HIS A 80 8.811 2.277 -18.887 1.00 0.00 C ATOM 1183 ND1 HIS A 80 7.699 2.980 -19.290 1.00 0.00 N ATOM 1184 CD2 HIS A 80 9.485 1.908 -20.020 1.00 0.00 C ATOM 1185 CE1 HIS A 80 7.708 3.030 -20.634 1.00 0.00 C ATOM 1186 NE2 HIS A 80 8.781 2.389 -21.131 1.00 0.00 N ATOM 0 H HIS A 80 6.995 0.473 -16.433 1.00 0.00 H new ATOM 0 HA HIS A 80 9.559 -0.138 -17.740 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.647 2.614 -16.792 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.266 2.218 -17.334 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.404 1.342 -20.052 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.955 3.519 -21.234 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.030 2.277 -22.114 1.00 0.00 H new ATOM 1194 N ARG A 81 8.552 -0.093 -14.749 1.00 0.00 N ATOM 1195 CA ARG A 81 8.846 -0.472 -13.375 1.00 0.00 C ATOM 1196 C ARG A 81 7.696 -1.353 -12.893 1.00 0.00 C ATOM 1197 O ARG A 81 6.639 -1.353 -13.523 1.00 0.00 O ATOM 1198 CB ARG A 81 8.988 0.789 -12.514 1.00 0.00 C ATOM 1199 CG ARG A 81 9.687 0.499 -11.184 1.00 0.00 C ATOM 1200 CD ARG A 81 11.153 0.131 -11.421 1.00 0.00 C ATOM 1201 NE ARG A 81 11.802 -0.339 -10.193 1.00 0.00 N ATOM 1202 CZ ARG A 81 13.123 -0.279 -9.989 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.928 0.284 -10.889 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.650 -0.781 -8.878 1.00 0.00 N ATOM 0 H ARG A 81 7.556 -0.120 -14.967 1.00 0.00 H new ATOM 0 HA ARG A 81 9.784 -1.022 -13.302 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.553 1.542 -13.064 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.001 1.209 -12.321 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.625 1.373 -10.535 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.179 -0.317 -10.669 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.214 -0.645 -12.184 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.688 0.999 -11.805 1.00 0.00 H new ATOM 0 HE ARG A 81 11.216 -0.732 -9.456 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.539 0.676 -11.747 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.933 0.323 -10.721 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.047 -1.214 -8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.657 -0.734 -8.725 1.00 0.00 H new ATOM 1218 N TYR A 82 7.875 -2.098 -11.799 1.00 0.00 N ATOM 1219 CA TYR A 82 6.853 -3.044 -11.375 1.00 0.00 C ATOM 1220 C TYR A 82 6.225 -2.671 -10.041 1.00 0.00 C ATOM 1221 O TYR A 82 6.757 -1.857 -9.288 1.00 0.00 O ATOM 1222 CB TYR A 82 7.348 -4.484 -11.547 1.00 0.00 C ATOM 1223 CG TYR A 82 7.692 -5.309 -10.329 1.00 0.00 C ATOM 1224 CD1 TYR A 82 8.993 -5.303 -9.802 1.00 0.00 C ATOM 1225 CD2 TYR A 82 6.697 -6.105 -9.740 1.00 0.00 C ATOM 1226 CE1 TYR A 82 9.312 -6.152 -8.736 1.00 0.00 C ATOM 1227 CE2 TYR A 82 7.006 -6.950 -8.668 1.00 0.00 C ATOM 1228 CZ TYR A 82 8.325 -6.985 -8.170 1.00 0.00 C ATOM 1229 OH TYR A 82 8.645 -7.822 -7.145 1.00 0.00 O ATOM 0 H TYR A 82 8.703 -2.063 -11.204 1.00 0.00 H new ATOM 0 HA TYR A 82 5.992 -2.981 -12.041 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.583 -5.027 -12.102 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.236 -4.450 -12.178 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.744 -4.647 -10.217 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.686 -6.065 -10.117 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.319 -6.169 -8.345 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.241 -7.570 -8.226 1.00 0.00 H new ATOM 0 HH TYR A 82 8.186 -7.531 -6.329 1.00 0.00 H new ATOM 1239 N ILE A 83 5.077 -3.280 -9.754 1.00 0.00 N ATOM 1240 CA ILE A 83 4.236 -2.894 -8.640 1.00 0.00 C ATOM 1241 C ILE A 83 3.760 -4.148 -7.923 1.00 0.00 C ATOM 1242 O ILE A 83 3.880 -5.259 -8.435 1.00 0.00 O ATOM 1243 CB ILE A 83 3.058 -2.040 -9.149 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.558 -0.722 -9.745 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.088 -1.667 -8.023 1.00 0.00 C ATOM 1246 CD1 ILE A 83 3.864 -0.818 -11.236 1.00 0.00 C ATOM 0 H ILE A 83 4.707 -4.061 -10.297 1.00 0.00 H new ATOM 0 HA ILE A 83 4.797 -2.287 -7.930 1.00 0.00 H new ATOM 0 HB ILE A 83 2.551 -2.650 -9.897 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.807 0.051 -9.583 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.457 -0.408 -9.215 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.274 -1.066 -8.428 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.681 -2.575 -7.577 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.618 -1.095 -7.261 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.214 0.149 -11.599 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.637 -1.569 -11.401 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.960 -1.102 -11.775 1.00 0.00 H new ATOM 1258 N GLU A 84 3.218 -3.954 -6.727 1.00 0.00 N ATOM 1259 CA GLU A 84 2.784 -5.028 -5.860 1.00 0.00 C ATOM 1260 C GLU A 84 1.508 -4.623 -5.125 1.00 0.00 C ATOM 1261 O GLU A 84 1.315 -3.448 -4.814 1.00 0.00 O ATOM 1262 CB GLU A 84 3.913 -5.310 -4.870 1.00 0.00 C ATOM 1263 CG GLU A 84 4.834 -6.411 -5.380 1.00 0.00 C ATOM 1264 CD GLU A 84 5.832 -6.795 -4.290 1.00 0.00 C ATOM 1265 OE1 GLU A 84 5.374 -7.258 -3.222 1.00 0.00 O ATOM 1266 OE2 GLU A 84 7.044 -6.623 -4.529 1.00 0.00 O ATOM 0 H GLU A 84 3.068 -3.026 -6.331 1.00 0.00 H new ATOM 0 HA GLU A 84 2.562 -5.925 -6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.489 -4.400 -4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.492 -5.602 -3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.248 -7.282 -5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.365 -6.071 -6.269 1.00 0.00 H new ATOM 1273 N VAL A 85 0.641 -5.601 -4.848 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.617 -5.383 -4.143 1.00 0.00 C ATOM 1275 C VAL A 85 -0.881 -6.577 -3.236 1.00 0.00 C ATOM 1276 O VAL A 85 -0.419 -7.684 -3.507 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.797 -5.246 -5.118 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -2.976 -4.543 -4.445 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.434 -4.458 -6.374 1.00 0.00 C ATOM 0 H VAL A 85 0.798 -6.574 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.531 -4.459 -3.572 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.066 -6.262 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.800 -4.456 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.300 -5.122 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.670 -3.548 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.305 -4.392 -7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.114 -3.454 -6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.624 -4.964 -6.899 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.628 -6.353 -2.154 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.972 -7.413 -1.218 1.00 0.00 C ATOM 1291 C PHE A 86 -3.234 -7.016 -0.463 1.00 0.00 C ATOM 1292 O PHE A 86 -3.538 -5.831 -0.344 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.783 -7.610 -0.280 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.782 -8.871 0.554 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.404 -8.868 1.807 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -0.156 -10.036 0.086 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -1.409 -10.023 2.598 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -0.165 -11.195 0.874 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.791 -11.190 2.129 1.00 0.00 C ATOM 0 H PHE A 86 -2.007 -5.439 -1.907 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.176 -8.354 -1.729 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.129 -7.596 -0.877 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.736 -6.755 0.395 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.883 -7.969 2.166 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.331 -10.040 -0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.887 -10.015 3.566 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.312 -12.095 0.514 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.797 -12.085 2.734 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.976 -7.996 0.054 1.00 0.00 N ATOM 1310 CA LYS A 87 -5.245 -7.723 0.703 1.00 0.00 C ATOM 1311 C LYS A 87 -5.021 -7.116 2.086 1.00 0.00 C ATOM 1312 O LYS A 87 -3.996 -7.353 2.718 1.00 0.00 O ATOM 1313 CB LYS A 87 -6.052 -9.020 0.755 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.521 -8.705 1.018 1.00 0.00 C ATOM 1315 CD LYS A 87 -8.380 -9.966 0.908 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.845 -9.605 1.158 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.727 -10.776 0.988 1.00 0.00 N ATOM 0 H LYS A 87 -3.715 -8.982 0.033 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.813 -6.986 0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.949 -9.561 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.664 -9.669 1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.631 -8.271 2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.870 -7.959 0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.267 -10.411 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.048 -10.710 1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.956 -9.208 2.167 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.149 -8.816 0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.713 -10.496 1.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.639 -11.139 0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.452 -11.519 1.662 1.00 0.00 H new ATOM 1331 N SER A 88 -5.986 -6.328 2.561 1.00 0.00 N ATOM 1332 CA SER A 88 -5.876 -5.649 3.845 1.00 0.00 C ATOM 1333 C SER A 88 -7.221 -5.613 4.567 1.00 0.00 C ATOM 1334 O SER A 88 -8.207 -6.184 4.103 1.00 0.00 O ATOM 1335 CB SER A 88 -5.321 -4.240 3.621 1.00 0.00 C ATOM 1336 OG SER A 88 -5.009 -3.629 4.855 1.00 0.00 O ATOM 0 H SER A 88 -6.860 -6.145 2.067 1.00 0.00 H new ATOM 0 HA SER A 88 -5.190 -6.201 4.487 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.429 -4.289 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.052 -3.636 3.084 1.00 0.00 H new ATOM 0 HG SER A 88 -4.654 -2.730 4.694 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.255 -4.934 5.717 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.430 -4.860 6.572 1.00 0.00 C ATOM 1344 C HIS A 89 -8.520 -3.512 7.286 1.00 0.00 C ATOM 1345 O HIS A 89 -9.350 -3.342 8.178 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.379 -6.020 7.571 1.00 0.00 C ATOM 1347 CG HIS A 89 -7.065 -6.113 8.300 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -6.773 -5.589 9.538 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -5.932 -6.738 7.849 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -5.489 -5.876 9.812 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -4.933 -6.583 8.814 1.00 0.00 N ATOM 0 H HIS A 89 -6.455 -4.416 6.080 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.329 -4.945 5.961 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.183 -5.902 8.297 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.562 -6.956 7.042 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.829 -7.260 6.909 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.973 -5.578 10.713 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.977 -6.935 8.770 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.667 -2.558 6.891 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.693 -1.164 7.327 1.00 0.00 C ATOM 1361 C ARG A 90 -7.175 -0.951 8.748 1.00 0.00 C ATOM 1362 O ARG A 90 -6.709 0.143 9.063 1.00 0.00 O ATOM 1363 CB ARG A 90 -9.110 -0.603 7.157 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.075 0.923 7.082 1.00 0.00 C ATOM 1365 CD ARG A 90 -10.479 1.472 6.837 1.00 0.00 C ATOM 1366 NE ARG A 90 -10.430 2.917 6.593 1.00 0.00 N ATOM 1367 CZ ARG A 90 -10.637 3.862 7.513 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -10.925 3.549 8.774 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -10.550 5.140 7.156 1.00 0.00 N ATOM 0 H ARG A 90 -6.911 -2.748 6.233 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.000 -0.615 6.690 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.562 -1.007 6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.735 -0.918 7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.674 1.331 8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.408 1.240 6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.929 0.968 5.982 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.113 1.264 7.699 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.221 3.225 5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.991 2.570 9.054 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.079 4.288 9.460 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.328 5.386 6.191 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.705 5.874 7.847 1.00 0.00 H new ATOM 1383 N THR A 91 -7.243 -1.964 9.615 1.00 0.00 N ATOM 1384 CA THR A 91 -6.697 -1.836 10.960 1.00 0.00 C ATOM 1385 C THR A 91 -5.176 -1.757 10.893 1.00 0.00 C ATOM 1386 O THR A 91 -4.563 -0.997 11.638 1.00 0.00 O ATOM 1387 CB THR A 91 -7.128 -3.024 11.822 1.00 0.00 C ATOM 1388 OG1 THR A 91 -8.532 -3.144 11.801 1.00 0.00 O ATOM 1389 CG2 THR A 91 -6.669 -2.831 13.265 1.00 0.00 C ATOM 0 H THR A 91 -7.666 -2.869 9.410 1.00 0.00 H new ATOM 0 HA THR A 91 -7.081 -0.922 11.414 1.00 0.00 H new ATOM 0 HB THR A 91 -6.671 -3.927 11.417 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.803 -3.907 12.353 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.984 -3.685 13.864 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.582 -2.749 13.293 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.112 -1.921 13.669 1.00 0.00 H new ATOM 1397 N GLU A 92 -4.563 -2.539 9.999 1.00 0.00 N ATOM 1398 CA GLU A 92 -3.127 -2.473 9.771 1.00 0.00 C ATOM 1399 C GLU A 92 -2.778 -1.154 9.107 1.00 0.00 C ATOM 1400 O GLU A 92 -1.744 -0.572 9.414 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.704 -3.631 8.868 1.00 0.00 C ATOM 1402 CG GLU A 92 -1.182 -3.681 8.743 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.728 -4.856 7.881 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -0.946 -6.011 8.309 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -0.164 -4.593 6.796 1.00 0.00 O ATOM 0 H GLU A 92 -5.047 -3.227 9.422 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.603 -2.545 10.724 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.073 -4.572 9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.153 -3.514 7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.821 -2.749 8.308 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.737 -3.763 9.735 1.00 0.00 H new ATOM 1412 N MET A 93 -3.637 -0.682 8.200 1.00 0.00 N ATOM 1413 CA MET A 93 -3.392 0.565 7.504 1.00 0.00 C ATOM 1414 C MET A 93 -3.254 1.688 8.527 1.00 0.00 C ATOM 1415 O MET A 93 -2.329 2.490 8.442 1.00 0.00 O ATOM 1416 CB MET A 93 -4.532 0.800 6.509 1.00 0.00 C ATOM 1417 CG MET A 93 -4.328 2.066 5.673 1.00 0.00 C ATOM 1418 SD MET A 93 -4.799 3.614 6.487 1.00 0.00 S ATOM 1419 CE MET A 93 -6.592 3.365 6.586 1.00 0.00 C ATOM 0 H MET A 93 -4.504 -1.150 7.937 1.00 0.00 H new ATOM 0 HA MET A 93 -2.461 0.532 6.937 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.614 -0.061 5.845 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.474 0.875 7.052 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.278 2.129 5.389 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.902 1.970 4.751 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.086 4.327 6.723 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.947 2.903 5.665 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.823 2.715 7.430 1.00 0.00 H new ATOM 1429 N ASP A 94 -4.171 1.747 9.498 1.00 0.00 N ATOM 1430 CA ASP A 94 -4.145 2.767 10.536 1.00 0.00 C ATOM 1431 C ASP A 94 -2.966 2.574 11.487 1.00 0.00 C ATOM 1432 O ASP A 94 -2.445 3.538 12.046 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.446 2.675 11.324 1.00 0.00 C ATOM 1434 CG ASP A 94 -5.612 3.857 12.274 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -5.674 4.999 11.766 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.677 3.611 13.498 1.00 0.00 O ATOM 0 H ASP A 94 -4.946 1.090 9.581 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.035 3.744 10.066 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.289 2.641 10.633 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.463 1.745 11.893 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.550 1.317 11.667 1.00 0.00 N ATOM 1442 CA TRP A 95 -1.490 0.948 12.594 1.00 0.00 C ATOM 1443 C TRP A 95 -0.114 1.443 12.148 1.00 0.00 C ATOM 1444 O TRP A 95 0.795 1.526 12.972 1.00 0.00 O ATOM 1445 CB TRP A 95 -1.475 -0.573 12.753 1.00 0.00 C ATOM 1446 CG TRP A 95 -0.455 -1.102 13.714 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -0.667 -1.386 15.018 1.00 0.00 C ATOM 1448 CD2 TRP A 95 0.949 -1.417 13.466 1.00 0.00 C ATOM 1449 NE1 TRP A 95 0.503 -1.842 15.591 1.00 0.00 N ATOM 1450 CE2 TRP A 95 1.538 -1.871 14.679 1.00 0.00 C ATOM 1451 CE3 TRP A 95 1.784 -1.349 12.337 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 2.888 -2.232 14.767 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 3.141 -1.698 12.414 1.00 0.00 C ATOM 1454 CH2 TRP A 95 3.694 -2.143 13.624 1.00 0.00 C ATOM 0 H TRP A 95 -2.947 0.523 11.165 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.700 1.431 13.548 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.463 -0.898 13.080 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.299 -1.023 11.776 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.609 -1.273 15.534 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.592 -2.123 16.568 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.374 -1.022 11.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.303 -2.575 15.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.764 -1.623 11.535 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.738 -2.416 13.675 1.00 0.00 H new ATOM 1465 N VAL A 96 0.058 1.773 10.865 1.00 0.00 N ATOM 1466 CA VAL A 96 1.344 2.238 10.350 1.00 0.00 C ATOM 1467 C VAL A 96 1.239 3.645 9.759 1.00 0.00 C ATOM 1468 O VAL A 96 2.252 4.331 9.641 1.00 0.00 O ATOM 1469 CB VAL A 96 1.905 1.210 9.359 1.00 0.00 C ATOM 1470 CG1 VAL A 96 0.920 0.953 8.233 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.244 1.665 8.782 1.00 0.00 C ATOM 0 H VAL A 96 -0.681 1.726 10.164 1.00 0.00 H new ATOM 0 HA VAL A 96 2.051 2.321 11.175 1.00 0.00 H new ATOM 0 HB VAL A 96 2.065 0.283 9.909 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.339 0.221 7.543 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.013 0.569 8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.725 1.884 7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.613 0.914 8.084 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.112 2.612 8.259 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.964 1.794 9.590 1.00 0.00 H new ATOM 1481 N LEU A 97 0.035 4.096 9.386 1.00 0.00 N ATOM 1482 CA LEU A 97 -0.164 5.463 8.918 1.00 0.00 C ATOM 1483 C LEU A 97 0.022 6.476 10.053 1.00 0.00 C ATOM 1484 O LEU A 97 0.007 7.682 9.806 1.00 0.00 O ATOM 1485 CB LEU A 97 -1.574 5.603 8.331 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.608 5.718 6.803 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.872 6.972 6.329 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -1.007 4.489 6.130 1.00 0.00 C ATOM 0 H LEU A 97 -0.813 3.530 9.401 1.00 0.00 H new ATOM 0 HA LEU A 97 0.583 5.672 8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.169 4.741 8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.049 6.484 8.761 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.657 5.789 6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.912 7.028 5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.347 7.856 6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.168 6.927 6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.050 4.609 5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.031 4.375 6.442 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.572 3.603 6.419 1.00 0.00 H new ATOM 1500 N LYS A 98 0.196 6.000 11.293 1.00 0.00 N ATOM 1501 CA LYS A 98 0.321 6.848 12.469 1.00 0.00 C ATOM 1502 C LYS A 98 1.434 6.371 13.405 1.00 0.00 C ATOM 1503 O LYS A 98 1.519 6.837 14.541 1.00 0.00 O ATOM 1504 CB LYS A 98 -1.017 6.867 13.202 1.00 0.00 C ATOM 1505 CG LYS A 98 -2.096 7.507 12.328 1.00 0.00 C ATOM 1506 CD LYS A 98 -3.350 7.717 13.171 1.00 0.00 C ATOM 1507 CE LYS A 98 -4.451 8.406 12.364 1.00 0.00 C ATOM 1508 NZ LYS A 98 -4.883 7.581 11.218 1.00 0.00 N ATOM 0 H LYS A 98 0.254 5.003 11.502 1.00 0.00 H new ATOM 0 HA LYS A 98 0.590 7.854 12.145 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.309 5.850 13.465 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.920 7.422 14.135 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.744 8.459 11.931 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.318 6.868 11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.711 6.755 13.536 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.106 8.319 14.046 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.305 8.607 13.011 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.090 9.369 12.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.816 7.903 10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.194 7.674 10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.943 6.585 11.511 1.00 0.00 H new