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 32 SER OG : rot 180:sc= 0.454 USER MOD Set 1.2: A 73 LYS NZ :NH3+ -159:sc= 1.66 (180deg=0.544) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.19) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0404 USER MOD Single : A 22 CYS SG : rot 180:sc= 0.14 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.181 X(o=0.18,f=-0.02) USER MOD Single : A 29 ASN : amide:sc= 0.792 K(o=0.79,f=-0.0027) USER MOD Single : A 34 CYS SG : rot -99:sc= 0.227 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.188 X(o=-0.19,f=0.0067) USER MOD Single : A 44 HIS : no HD1:sc= -0.012 X(o=-0.012,f=-6.8e-05) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 68 LYS NZ :NH3+ -118:sc= 0.527 (180deg=0) USER MOD Single : A 69 MET CE :methyl -173:sc= -0.351 (180deg=-0.699) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0641 USER MOD Single : A 78 MET CE :methyl 162:sc= -0.994 (180deg=-1.94) USER MOD Single : A 80 HIS : no HE2:sc= -0.219 K(o=-0.22,f=-0.79) USER MOD Single : A 82 TYR OH : rot -34:sc= 1.09 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.259 USER MOD Single : A 89 HIS : no HD1:sc= -1.75 X(o=-1.7,f=-1.3) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -115:sc= -0.0554 (180deg=-0.768) USER MOD Single : A 98 LYS NZ :NH3+ -128:sc= 0.121 (180deg=-0.148) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -12.341 -3.890 2.265 1.00 0.00 N ATOM 127 CA PHE A 11 -12.271 -3.328 0.923 1.00 0.00 C ATOM 128 C PHE A 11 -11.077 -2.381 0.817 1.00 0.00 C ATOM 129 O PHE A 11 -11.173 -1.300 0.237 1.00 0.00 O ATOM 130 CB PHE A 11 -13.578 -2.610 0.582 1.00 0.00 C ATOM 131 CG PHE A 11 -14.839 -3.378 0.916 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.832 -4.781 0.974 1.00 0.00 C ATOM 133 CD2 PHE A 11 -16.027 -2.679 1.171 1.00 0.00 C ATOM 134 CE1 PHE A 11 -16.004 -5.477 1.296 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.201 -3.375 1.488 1.00 0.00 C ATOM 136 CZ PHE A 11 -17.189 -4.775 1.554 1.00 0.00 C ATOM 0 HA PHE A 11 -12.133 -4.134 0.202 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.600 -1.658 1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.582 -2.382 -0.484 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.921 -5.324 0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.037 -1.600 1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.994 -6.556 1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.115 -2.833 1.681 1.00 0.00 H new ATOM 0 HZ PHE A 11 -18.092 -5.312 1.803 1.00 0.00 H new ATOM 146 N VAL A 12 -9.947 -2.798 1.385 1.00 0.00 N ATOM 147 CA VAL A 12 -8.731 -2.004 1.430 1.00 0.00 C ATOM 148 C VAL A 12 -7.582 -2.878 0.955 1.00 0.00 C ATOM 149 O VAL A 12 -7.608 -4.094 1.147 1.00 0.00 O ATOM 150 CB VAL A 12 -8.487 -1.521 2.867 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.251 -0.623 2.949 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.687 -0.730 3.390 1.00 0.00 C ATOM 0 H VAL A 12 -9.854 -3.710 1.832 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.816 -1.128 0.787 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.334 -2.412 3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.105 -0.298 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.374 -1.179 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.391 0.249 2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.489 -0.399 4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.856 0.138 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.573 -1.365 3.380 1.00 0.00 H new ATOM 162 N VAL A 13 -6.573 -2.267 0.334 1.00 0.00 N ATOM 163 CA VAL A 13 -5.405 -3.005 -0.131 1.00 0.00 C ATOM 164 C VAL A 13 -4.120 -2.237 0.141 1.00 0.00 C ATOM 165 O VAL A 13 -4.140 -1.035 0.399 1.00 0.00 O ATOM 166 CB VAL A 13 -5.519 -3.326 -1.627 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.706 -4.250 -1.891 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.677 -2.061 -2.473 1.00 0.00 C ATOM 0 H VAL A 13 -6.543 -1.265 0.143 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.369 -3.941 0.426 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.592 -3.822 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.769 -4.465 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.572 -5.181 -1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.625 -3.764 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.754 -2.334 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.579 -1.530 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.810 -1.416 -2.328 1.00 0.00 H new ATOM 178 N LYS A 14 -2.996 -2.955 0.077 1.00 0.00 N ATOM 179 CA LYS A 14 -1.668 -2.386 0.233 1.00 0.00 C ATOM 180 C LYS A 14 -1.059 -2.168 -1.147 1.00 0.00 C ATOM 181 O LYS A 14 -1.496 -2.784 -2.117 1.00 0.00 O ATOM 182 CB LYS A 14 -0.773 -3.337 1.035 1.00 0.00 C ATOM 183 CG LYS A 14 -1.522 -3.998 2.192 1.00 0.00 C ATOM 184 CD LYS A 14 -0.547 -4.795 3.058 1.00 0.00 C ATOM 185 CE LYS A 14 -1.337 -5.682 4.018 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.443 -6.385 4.953 1.00 0.00 N ATOM 0 H LYS A 14 -2.990 -3.962 -0.087 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.744 -1.439 0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.379 -4.108 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.082 -2.785 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.020 -3.239 2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.299 -4.657 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.101 -5.406 2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.098 -4.118 3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.047 -5.074 4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.918 -6.409 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.006 -6.993 5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.229 -6.970 4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.081 -5.689 5.522 1.00 0.00 H new ATOM 200 N LEU A 15 -0.056 -1.295 -1.236 1.00 0.00 N ATOM 201 CA LEU A 15 0.637 -1.003 -2.476 1.00 0.00 C ATOM 202 C LEU A 15 2.127 -0.855 -2.179 1.00 0.00 C ATOM 203 O LEU A 15 2.500 -0.266 -1.165 1.00 0.00 O ATOM 204 CB LEU A 15 0.047 0.303 -3.004 1.00 0.00 C ATOM 205 CG LEU A 15 0.067 0.469 -4.521 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.446 0.253 -5.138 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.928 -0.488 -5.173 1.00 0.00 C ATOM 0 H LEU A 15 0.297 -0.769 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 15 0.519 -1.793 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.985 0.379 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.593 1.134 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.215 1.504 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.386 0.386 -6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.148 0.975 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.790 -0.757 -4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.902 -0.358 -6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.661 -1.515 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.932 -0.275 -4.806 1.00 0.00 H new ATOM 219 N ARG A 16 2.978 -1.384 -3.060 1.00 0.00 N ATOM 220 CA ARG A 16 4.425 -1.272 -2.932 1.00 0.00 C ATOM 221 C ARG A 16 5.056 -1.270 -4.318 1.00 0.00 C ATOM 222 O ARG A 16 4.520 -1.878 -5.242 1.00 0.00 O ATOM 223 CB ARG A 16 4.982 -2.466 -2.148 1.00 0.00 C ATOM 224 CG ARG A 16 4.449 -2.539 -0.718 1.00 0.00 C ATOM 225 CD ARG A 16 5.133 -3.697 0.008 1.00 0.00 C ATOM 226 NE ARG A 16 4.628 -3.842 1.378 1.00 0.00 N ATOM 227 CZ ARG A 16 4.659 -4.987 2.065 1.00 0.00 C ATOM 228 NH1 ARG A 16 5.162 -6.091 1.516 1.00 0.00 N ATOM 229 NH2 ARG A 16 4.187 -5.035 3.308 1.00 0.00 N ATOM 0 H ARG A 16 2.678 -1.904 -3.885 1.00 0.00 H new ATOM 0 HA ARG A 16 4.658 -0.347 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.730 -3.388 -2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.070 -2.402 -2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.641 -1.601 -0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.369 -2.685 -0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.967 -4.623 -0.543 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.210 -3.529 0.031 1.00 0.00 H new ATOM 0 HE ARG A 16 4.230 -3.020 1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.527 -6.066 0.564 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.182 -6.961 2.047 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.800 -4.196 3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.212 -5.911 3.830 1.00 0.00 H new ATOM 243 N GLY A 17 6.195 -0.591 -4.468 1.00 0.00 N ATOM 244 CA GLY A 17 6.941 -0.643 -5.713 1.00 0.00 C ATOM 245 C GLY A 17 7.692 0.643 -6.025 1.00 0.00 C ATOM 246 O GLY A 17 7.665 1.596 -5.249 1.00 0.00 O ATOM 0 H GLY A 17 6.613 -0.005 -3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.652 -1.468 -5.667 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.254 -0.860 -6.530 1.00 0.00 H new ATOM 250 N LEU A 18 8.358 0.630 -7.185 1.00 0.00 N ATOM 251 CA LEU A 18 9.129 1.739 -7.740 1.00 0.00 C ATOM 252 C LEU A 18 10.308 2.185 -6.863 1.00 0.00 C ATOM 253 O LEU A 18 10.352 1.869 -5.675 1.00 0.00 O ATOM 254 CB LEU A 18 8.180 2.905 -8.043 1.00 0.00 C ATOM 255 CG LEU A 18 7.024 2.498 -8.961 1.00 0.00 C ATOM 256 CD1 LEU A 18 6.281 3.750 -9.423 1.00 0.00 C ATOM 257 CD2 LEU A 18 7.549 1.739 -10.175 1.00 0.00 C ATOM 0 H LEU A 18 8.372 -0.193 -7.787 1.00 0.00 H new ATOM 0 HA LEU A 18 9.592 1.383 -8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.777 3.294 -7.108 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.742 3.715 -8.509 1.00 0.00 H new ATOM 0 HG LEU A 18 6.346 1.848 -8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.457 3.464 -10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.888 4.281 -8.556 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.967 4.400 -9.967 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.714 1.457 -10.817 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.237 2.375 -10.732 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.072 0.841 -9.845 1.00 0.00 H new ATOM 269 N PRO A 19 11.266 2.922 -7.452 1.00 0.00 N ATOM 270 CA PRO A 19 12.398 3.565 -6.789 1.00 0.00 C ATOM 271 C PRO A 19 12.023 4.413 -5.568 1.00 0.00 C ATOM 272 O PRO A 19 11.948 5.639 -5.654 1.00 0.00 O ATOM 273 CB PRO A 19 13.096 4.396 -7.868 1.00 0.00 C ATOM 274 CG PRO A 19 12.754 3.651 -9.151 1.00 0.00 C ATOM 275 CD PRO A 19 11.327 3.186 -8.882 1.00 0.00 C ATOM 0 HA PRO A 19 13.053 2.802 -6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.729 5.422 -7.887 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.173 4.446 -7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.813 4.298 -10.026 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.429 2.813 -9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.605 3.949 -9.171 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.091 2.290 -9.457 1.00 0.00 H new ATOM 283 N TRP A 20 11.790 3.749 -4.435 1.00 0.00 N ATOM 284 CA TRP A 20 11.467 4.339 -3.140 1.00 0.00 C ATOM 285 C TRP A 20 10.281 5.312 -3.118 1.00 0.00 C ATOM 286 O TRP A 20 9.985 5.835 -2.046 1.00 0.00 O ATOM 287 CB TRP A 20 12.696 5.050 -2.562 1.00 0.00 C ATOM 288 CG TRP A 20 13.959 4.268 -2.369 1.00 0.00 C ATOM 289 CD1 TRP A 20 15.195 4.753 -2.619 1.00 0.00 C ATOM 290 CD2 TRP A 20 14.166 2.902 -1.886 1.00 0.00 C ATOM 291 NE1 TRP A 20 16.146 3.805 -2.318 1.00 0.00 N ATOM 292 CE2 TRP A 20 15.570 2.655 -1.826 1.00 0.00 C ATOM 293 CE3 TRP A 20 13.326 1.855 -1.462 1.00 0.00 C ATOM 294 CZ2 TRP A 20 16.104 1.462 -1.330 1.00 0.00 C ATOM 295 CZ3 TRP A 20 13.855 0.659 -0.959 1.00 0.00 C ATOM 296 CH2 TRP A 20 15.235 0.471 -0.878 1.00 0.00 C ATOM 0 H TRP A 20 11.824 2.730 -4.397 1.00 0.00 H new ATOM 0 HA TRP A 20 11.160 3.488 -2.532 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.926 5.893 -3.214 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.413 5.464 -1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.406 5.741 -3.000 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.150 3.937 -2.443 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.255 1.976 -1.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.173 1.311 -1.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.188 -0.125 -0.631 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.631 -0.445 -0.464 1.00 0.00 H new ATOM 307 N SER A 21 9.593 5.580 -4.234 1.00 0.00 N ATOM 308 CA SER A 21 8.518 6.571 -4.234 1.00 0.00 C ATOM 309 C SER A 21 7.449 6.285 -5.287 1.00 0.00 C ATOM 310 O SER A 21 7.678 5.533 -6.233 1.00 0.00 O ATOM 311 CB SER A 21 9.100 7.963 -4.500 1.00 0.00 C ATOM 312 OG SER A 21 10.053 8.312 -3.517 1.00 0.00 O ATOM 0 H SER A 21 9.760 5.131 -5.134 1.00 0.00 H new ATOM 0 HA SER A 21 8.046 6.521 -3.253 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.565 7.984 -5.486 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.297 8.700 -4.511 1.00 0.00 H new ATOM 0 HG SER A 21 10.411 9.204 -3.710 1.00 0.00 H new ATOM 318 N CYS A 22 6.275 6.899 -5.106 1.00 0.00 N ATOM 319 CA CYS A 22 5.127 6.781 -5.996 1.00 0.00 C ATOM 320 C CYS A 22 4.190 7.970 -5.747 1.00 0.00 C ATOM 321 O CYS A 22 4.509 8.839 -4.936 1.00 0.00 O ATOM 322 CB CYS A 22 4.434 5.443 -5.713 1.00 0.00 C ATOM 323 SG CYS A 22 3.220 5.068 -7.004 1.00 0.00 S ATOM 0 H CYS A 22 6.097 7.510 -4.309 1.00 0.00 H new ATOM 0 HA CYS A 22 5.428 6.799 -7.043 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.176 4.646 -5.662 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.940 5.481 -4.742 1.00 0.00 H new ATOM 0 HG CYS A 22 2.648 3.930 -6.744 1.00 0.00 H new ATOM 329 N SER A 23 3.039 8.027 -6.428 1.00 0.00 N ATOM 330 CA SER A 23 2.073 9.107 -6.247 1.00 0.00 C ATOM 331 C SER A 23 0.644 8.585 -6.346 1.00 0.00 C ATOM 332 O SER A 23 0.412 7.469 -6.811 1.00 0.00 O ATOM 333 CB SER A 23 2.300 10.200 -7.290 1.00 0.00 C ATOM 334 OG SER A 23 2.016 9.704 -8.581 1.00 0.00 O ATOM 0 H SER A 23 2.756 7.328 -7.115 1.00 0.00 H new ATOM 0 HA SER A 23 2.218 9.526 -5.251 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.664 11.058 -7.073 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.332 10.549 -7.245 1.00 0.00 H new ATOM 0 HG SER A 23 2.163 10.412 -9.243 1.00 0.00 H new ATOM 340 N VAL A 24 -0.322 9.400 -5.905 1.00 0.00 N ATOM 341 CA VAL A 24 -1.719 8.990 -5.860 1.00 0.00 C ATOM 342 C VAL A 24 -2.325 8.864 -7.255 1.00 0.00 C ATOM 343 O VAL A 24 -3.344 8.196 -7.416 1.00 0.00 O ATOM 344 CB VAL A 24 -2.556 9.936 -4.978 1.00 0.00 C ATOM 345 CG1 VAL A 24 -1.702 10.885 -4.139 1.00 0.00 C ATOM 346 CG2 VAL A 24 -3.554 10.784 -5.760 1.00 0.00 C ATOM 0 H VAL A 24 -0.154 10.350 -5.574 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.742 7.999 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.100 9.252 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.350 11.525 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.055 10.306 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.091 11.502 -4.797 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.106 11.424 -5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.020 11.403 -6.481 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.251 10.132 -6.287 1.00 0.00 H new ATOM 356 N GLU A 25 -1.715 9.490 -8.265 1.00 0.00 N ATOM 357 CA GLU A 25 -2.249 9.456 -9.617 1.00 0.00 C ATOM 358 C GLU A 25 -1.790 8.208 -10.359 1.00 0.00 C ATOM 359 O GLU A 25 -2.504 7.724 -11.235 1.00 0.00 O ATOM 360 CB GLU A 25 -1.789 10.696 -10.378 1.00 0.00 C ATOM 361 CG GLU A 25 -2.344 11.969 -9.738 1.00 0.00 C ATOM 362 CD GLU A 25 -1.940 13.203 -10.541 1.00 0.00 C ATOM 363 OE1 GLU A 25 -2.692 13.556 -11.477 1.00 0.00 O ATOM 364 OE2 GLU A 25 -0.883 13.786 -10.213 1.00 0.00 O ATOM 0 H GLU A 25 -0.852 10.024 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.337 9.438 -9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.700 10.736 -10.391 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.118 10.633 -11.415 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.431 11.908 -9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.975 12.058 -8.716 1.00 0.00 H new ATOM 371 N ASP A 26 -0.610 7.676 -10.025 1.00 0.00 N ATOM 372 CA ASP A 26 -0.119 6.477 -10.683 1.00 0.00 C ATOM 373 C ASP A 26 -0.798 5.241 -10.102 1.00 0.00 C ATOM 374 O ASP A 26 -1.018 4.268 -10.820 1.00 0.00 O ATOM 375 CB ASP A 26 1.399 6.372 -10.515 1.00 0.00 C ATOM 376 CG ASP A 26 2.148 7.462 -11.281 1.00 0.00 C ATOM 377 OD1 ASP A 26 1.588 7.974 -12.276 1.00 0.00 O ATOM 378 OD2 ASP A 26 3.284 7.777 -10.863 1.00 0.00 O ATOM 0 H ASP A 26 0.011 8.056 -9.311 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.354 6.538 -11.746 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.650 6.438 -9.456 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.733 5.394 -10.861 1.00 0.00 H new ATOM 383 N VAL A 27 -1.133 5.269 -8.809 1.00 0.00 N ATOM 384 CA VAL A 27 -1.780 4.136 -8.163 1.00 0.00 C ATOM 385 C VAL A 27 -3.251 4.028 -8.565 1.00 0.00 C ATOM 386 O VAL A 27 -3.754 2.918 -8.726 1.00 0.00 O ATOM 387 CB VAL A 27 -1.614 4.251 -6.645 1.00 0.00 C ATOM 388 CG1 VAL A 27 -2.349 5.460 -6.080 1.00 0.00 C ATOM 389 CG2 VAL A 27 -2.124 2.993 -5.951 1.00 0.00 C ATOM 0 H VAL A 27 -0.965 6.065 -8.194 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.299 3.217 -8.497 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.548 4.374 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.204 5.502 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.957 6.370 -6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.413 5.374 -6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.997 3.095 -4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.180 2.854 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.560 2.129 -6.303 1.00 0.00 H new ATOM 399 N GLN A 28 -3.957 5.154 -8.733 1.00 0.00 N ATOM 400 CA GLN A 28 -5.345 5.095 -9.171 1.00 0.00 C ATOM 401 C GLN A 28 -5.427 4.697 -10.646 1.00 0.00 C ATOM 402 O GLN A 28 -6.427 4.125 -11.075 1.00 0.00 O ATOM 403 CB GLN A 28 -6.050 6.428 -8.917 1.00 0.00 C ATOM 404 CG GLN A 28 -5.447 7.580 -9.716 1.00 0.00 C ATOM 405 CD GLN A 28 -6.125 8.893 -9.350 1.00 0.00 C ATOM 406 OE1 GLN A 28 -6.961 9.402 -10.092 1.00 0.00 O ATOM 407 NE2 GLN A 28 -5.769 9.453 -8.198 1.00 0.00 N ATOM 0 H GLN A 28 -3.594 6.094 -8.575 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.859 4.331 -8.588 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.105 6.329 -9.171 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.999 6.664 -7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.377 7.648 -9.517 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.561 7.390 -10.783 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.071 9.002 -7.606 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.194 10.333 -7.906 1.00 0.00 H new ATOM 416 N ASN A 29 -4.380 4.997 -11.424 1.00 0.00 N ATOM 417 CA ASN A 29 -4.292 4.562 -12.811 1.00 0.00 C ATOM 418 C ASN A 29 -3.994 3.062 -12.887 1.00 0.00 C ATOM 419 O ASN A 29 -4.381 2.399 -13.848 1.00 0.00 O ATOM 420 CB ASN A 29 -3.182 5.370 -13.500 1.00 0.00 C ATOM 421 CG ASN A 29 -2.233 4.496 -14.311 1.00 0.00 C ATOM 422 OD1 ASN A 29 -2.394 4.336 -15.517 1.00 0.00 O ATOM 423 ND2 ASN A 29 -1.233 3.926 -13.641 1.00 0.00 N ATOM 0 H ASN A 29 -3.579 5.544 -11.107 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.243 4.734 -13.315 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.634 6.114 -14.156 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.613 5.914 -12.746 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.565 3.331 -14.131 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.135 4.085 -12.638 1.00 0.00 H new ATOM 430 N PHE A 30 -3.307 2.531 -11.873 1.00 0.00 N ATOM 431 CA PHE A 30 -2.849 1.154 -11.868 1.00 0.00 C ATOM 432 C PHE A 30 -3.931 0.190 -11.381 1.00 0.00 C ATOM 433 O PHE A 30 -3.942 -0.974 -11.778 1.00 0.00 O ATOM 434 CB PHE A 30 -1.611 1.100 -10.979 1.00 0.00 C ATOM 435 CG PHE A 30 -1.028 -0.277 -10.801 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.270 -0.856 -11.826 1.00 0.00 C ATOM 437 CD2 PHE A 30 -1.247 -0.975 -9.607 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.264 -2.139 -11.656 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.732 -2.266 -9.445 1.00 0.00 C ATOM 440 CZ PHE A 30 0.026 -2.847 -10.469 1.00 0.00 C ATOM 0 H PHE A 30 -3.056 3.052 -11.033 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.610 0.834 -12.882 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.847 1.752 -11.402 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.866 1.502 -9.998 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.098 -0.315 -12.745 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.814 -0.516 -8.810 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.860 -2.584 -12.439 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.919 -2.813 -8.533 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.428 -3.842 -10.345 1.00 0.00 H new ATOM 450 N LEU A 31 -4.843 0.660 -10.529 1.00 0.00 N ATOM 451 CA LEU A 31 -5.994 -0.122 -10.098 1.00 0.00 C ATOM 452 C LEU A 31 -7.139 0.126 -11.077 1.00 0.00 C ATOM 453 O LEU A 31 -8.207 0.605 -10.702 1.00 0.00 O ATOM 454 CB LEU A 31 -6.375 0.218 -8.654 1.00 0.00 C ATOM 455 CG LEU A 31 -5.603 -0.623 -7.629 1.00 0.00 C ATOM 456 CD1 LEU A 31 -4.100 -0.620 -7.878 1.00 0.00 C ATOM 457 CD2 LEU A 31 -5.882 -0.085 -6.229 1.00 0.00 C ATOM 0 H LEU A 31 -4.801 1.594 -10.120 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.753 -1.185 -10.105 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.183 1.275 -8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.445 0.060 -8.517 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.946 -1.653 -7.727 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.605 -1.231 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.894 -1.029 -8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.724 0.402 -7.822 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.336 -0.679 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.559 0.954 -6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.950 -0.146 -6.022 1.00 0.00 H new ATOM 469 N SER A 32 -6.906 -0.207 -12.348 1.00 0.00 N ATOM 470 CA SER A 32 -7.910 -0.109 -13.390 1.00 0.00 C ATOM 471 C SER A 32 -9.206 -0.792 -12.961 1.00 0.00 C ATOM 472 O SER A 32 -9.193 -1.792 -12.244 1.00 0.00 O ATOM 473 CB SER A 32 -7.359 -0.721 -14.677 1.00 0.00 C ATOM 474 OG SER A 32 -6.902 -2.038 -14.443 1.00 0.00 O ATOM 0 H SER A 32 -6.005 -0.554 -12.678 1.00 0.00 H new ATOM 0 HA SER A 32 -8.144 0.940 -13.570 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.134 -0.730 -15.443 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.542 -0.108 -15.057 1.00 0.00 H new ATOM 0 HG SER A 32 -6.554 -2.417 -15.277 1.00 0.00 H new ATOM 480 N ASP A 33 -10.324 -0.227 -13.420 1.00 0.00 N ATOM 481 CA ASP A 33 -11.688 -0.648 -13.119 1.00 0.00 C ATOM 482 C ASP A 33 -12.054 -0.596 -11.630 1.00 0.00 C ATOM 483 O ASP A 33 -13.229 -0.750 -11.301 1.00 0.00 O ATOM 484 CB ASP A 33 -11.964 -2.028 -13.720 1.00 0.00 C ATOM 485 CG ASP A 33 -11.749 -2.032 -15.231 1.00 0.00 C ATOM 486 OD1 ASP A 33 -12.518 -1.331 -15.927 1.00 0.00 O ATOM 487 OD2 ASP A 33 -10.817 -2.733 -15.683 1.00 0.00 O ATOM 0 H ASP A 33 -10.298 0.579 -14.045 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.342 0.086 -13.590 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.309 -2.766 -13.256 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.988 -2.325 -13.496 1.00 0.00 H new ATOM 492 N CYS A 34 -11.095 -0.385 -10.723 1.00 0.00 N ATOM 493 CA CYS A 34 -11.392 -0.254 -9.305 1.00 0.00 C ATOM 494 C CYS A 34 -11.994 1.121 -9.020 1.00 0.00 C ATOM 495 O CYS A 34 -12.150 1.948 -9.918 1.00 0.00 O ATOM 496 CB CYS A 34 -10.107 -0.424 -8.492 1.00 0.00 C ATOM 497 SG CYS A 34 -9.386 -2.056 -8.805 1.00 0.00 S ATOM 0 H CYS A 34 -10.105 -0.302 -10.953 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.109 -1.025 -9.022 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.393 0.355 -8.758 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.322 -0.310 -7.429 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.704 -2.864 -7.837 1.00 0.00 H new ATOM 503 N THR A 35 -12.333 1.358 -7.752 1.00 0.00 N ATOM 504 CA THR A 35 -12.863 2.626 -7.288 1.00 0.00 C ATOM 505 C THR A 35 -12.259 2.933 -5.928 1.00 0.00 C ATOM 506 O THR A 35 -12.580 2.287 -4.932 1.00 0.00 O ATOM 507 CB THR A 35 -14.385 2.551 -7.178 1.00 0.00 C ATOM 508 OG1 THR A 35 -14.957 2.283 -8.438 1.00 0.00 O ATOM 509 CG2 THR A 35 -14.946 3.865 -6.646 1.00 0.00 C ATOM 0 H THR A 35 -12.243 0.660 -7.014 1.00 0.00 H new ATOM 0 HA THR A 35 -12.608 3.415 -7.996 1.00 0.00 H new ATOM 0 HB THR A 35 -14.634 1.745 -6.488 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.932 2.236 -8.351 1.00 0.00 H new ATOM 0 HG21 THR A 35 -16.031 3.795 -6.574 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.529 4.066 -5.659 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.679 4.676 -7.324 1.00 0.00 H new ATOM 517 N ILE A 36 -11.377 3.931 -5.901 1.00 0.00 N ATOM 518 CA ILE A 36 -10.736 4.384 -4.680 1.00 0.00 C ATOM 519 C ILE A 36 -11.787 5.073 -3.818 1.00 0.00 C ATOM 520 O ILE A 36 -12.655 5.776 -4.330 1.00 0.00 O ATOM 521 CB ILE A 36 -9.560 5.311 -5.019 1.00 0.00 C ATOM 522 CG1 ILE A 36 -8.594 4.632 -6.000 1.00 0.00 C ATOM 523 CG2 ILE A 36 -8.773 5.645 -3.751 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.832 5.106 -7.432 1.00 0.00 C ATOM 0 H ILE A 36 -11.090 4.447 -6.733 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.324 3.545 -4.120 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.973 6.215 -5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.566 4.848 -5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.719 3.551 -5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.941 6.303 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.428 6.144 -3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.388 4.726 -3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.132 4.606 -8.102 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.853 4.866 -7.730 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.681 6.184 -7.488 1.00 0.00 H new ATOM 536 N HIS A 37 -11.695 4.858 -2.506 1.00 0.00 N ATOM 537 CA HIS A 37 -12.642 5.365 -1.526 1.00 0.00 C ATOM 538 C HIS A 37 -12.990 6.846 -1.724 1.00 0.00 C ATOM 539 O HIS A 37 -14.135 7.231 -1.499 1.00 0.00 O ATOM 540 CB HIS A 37 -12.055 5.074 -0.153 1.00 0.00 C ATOM 541 CG HIS A 37 -12.990 5.389 0.980 1.00 0.00 C ATOM 542 ND1 HIS A 37 -13.814 4.501 1.631 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.180 6.614 1.554 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.479 5.183 2.580 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.127 6.481 2.575 1.00 0.00 N ATOM 0 H HIS A 37 -10.940 4.313 -2.090 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.601 4.861 -1.644 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.777 4.021 -0.102 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.139 5.652 -0.029 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.683 7.530 1.268 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.200 4.747 3.256 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -14.478 7.216 3.189 1.00 0.00 H new ATOM 553 N ASP A 38 -12.024 7.674 -2.141 1.00 0.00 N ATOM 554 CA ASP A 38 -12.268 9.064 -2.527 1.00 0.00 C ATOM 555 C ASP A 38 -11.222 9.550 -3.536 1.00 0.00 C ATOM 556 O ASP A 38 -11.160 10.741 -3.836 1.00 0.00 O ATOM 557 CB ASP A 38 -12.253 9.996 -1.309 1.00 0.00 C ATOM 558 CG ASP A 38 -13.522 9.914 -0.465 1.00 0.00 C ATOM 559 OD1 ASP A 38 -14.616 10.099 -1.044 1.00 0.00 O ATOM 560 OD2 ASP A 38 -13.392 9.668 0.754 1.00 0.00 O ATOM 0 H ASP A 38 -11.046 7.394 -2.220 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.256 9.093 -2.986 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.394 9.751 -0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.118 11.023 -1.649 1.00 0.00 H new ATOM 565 N GLY A 39 -10.391 8.649 -4.072 1.00 0.00 N ATOM 566 CA GLY A 39 -9.336 9.039 -4.995 1.00 0.00 C ATOM 567 C GLY A 39 -8.185 9.679 -4.231 1.00 0.00 C ATOM 568 O GLY A 39 -7.596 9.060 -3.347 1.00 0.00 O ATOM 0 H GLY A 39 -10.434 7.648 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.979 8.166 -5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.728 9.739 -5.733 1.00 0.00 H new ATOM 572 N ALA A 40 -7.873 10.927 -4.582 1.00 0.00 N ATOM 573 CA ALA A 40 -6.820 11.713 -3.952 1.00 0.00 C ATOM 574 C ALA A 40 -7.109 12.006 -2.473 1.00 0.00 C ATOM 575 O ALA A 40 -6.338 12.710 -1.823 1.00 0.00 O ATOM 576 CB ALA A 40 -6.651 13.011 -4.737 1.00 0.00 C ATOM 0 H ALA A 40 -8.357 11.427 -5.328 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.897 11.134 -3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.866 13.613 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.378 12.781 -5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.588 13.568 -4.726 1.00 0.00 H new ATOM 582 N ALA A 41 -8.213 11.471 -1.944 1.00 0.00 N ATOM 583 CA ALA A 41 -8.595 11.620 -0.546 1.00 0.00 C ATOM 584 C ALA A 41 -8.845 10.254 0.099 1.00 0.00 C ATOM 585 O ALA A 41 -9.436 10.170 1.173 1.00 0.00 O ATOM 586 CB ALA A 41 -9.810 12.541 -0.446 1.00 0.00 C ATOM 0 H ALA A 41 -8.873 10.915 -2.487 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.777 12.080 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.097 12.653 0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.561 13.518 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.640 12.110 -1.006 1.00 0.00 H new ATOM 592 N GLY A 42 -8.390 9.187 -0.565 1.00 0.00 N ATOM 593 CA GLY A 42 -8.489 7.824 -0.066 1.00 0.00 C ATOM 594 C GLY A 42 -7.154 7.091 -0.207 1.00 0.00 C ATOM 595 O GLY A 42 -7.036 5.938 0.206 1.00 0.00 O ATOM 0 H GLY A 42 -7.937 9.253 -1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.792 7.837 0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.263 7.287 -0.615 1.00 0.00 H new ATOM 599 N VAL A 43 -6.147 7.755 -0.788 1.00 0.00 N ATOM 600 CA VAL A 43 -4.803 7.204 -0.889 1.00 0.00 C ATOM 601 C VAL A 43 -4.115 7.282 0.476 1.00 0.00 C ATOM 602 O VAL A 43 -4.565 8.010 1.361 1.00 0.00 O ATOM 603 CB VAL A 43 -3.995 7.985 -1.944 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.357 9.233 -1.330 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.915 7.075 -2.534 1.00 0.00 C ATOM 0 H VAL A 43 -6.247 8.684 -1.197 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.860 6.160 -1.198 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.671 8.308 -2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.792 9.767 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.137 9.883 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.686 8.939 -0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.343 7.626 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.248 6.740 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.384 6.210 -3.003 1.00 0.00 H new ATOM 615 N HIS A 44 -3.024 6.533 0.648 1.00 0.00 N ATOM 616 CA HIS A 44 -2.167 6.618 1.822 1.00 0.00 C ATOM 617 C HIS A 44 -0.741 6.250 1.432 1.00 0.00 C ATOM 618 O HIS A 44 -0.523 5.622 0.401 1.00 0.00 O ATOM 619 CB HIS A 44 -2.640 5.650 2.904 1.00 0.00 C ATOM 620 CG HIS A 44 -3.812 6.144 3.703 1.00 0.00 C ATOM 621 ND1 HIS A 44 -3.797 7.150 4.643 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.093 5.671 3.636 1.00 0.00 C ATOM 623 CE1 HIS A 44 -5.043 7.270 5.131 1.00 0.00 C ATOM 624 NE2 HIS A 44 -5.875 6.391 4.546 1.00 0.00 N ATOM 0 H HIS A 44 -2.711 5.843 -0.035 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.208 7.637 2.208 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.907 4.702 2.436 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.811 5.448 3.583 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.442 4.878 2.991 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.337 7.978 5.892 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.872 6.273 4.728 1.00 0.00 H new ATOM 632 N PHE A 45 0.228 6.643 2.264 1.00 0.00 N ATOM 633 CA PHE A 45 1.637 6.357 2.054 1.00 0.00 C ATOM 634 C PHE A 45 2.320 6.184 3.406 1.00 0.00 C ATOM 635 O PHE A 45 1.707 6.425 4.445 1.00 0.00 O ATOM 636 CB PHE A 45 2.275 7.492 1.250 1.00 0.00 C ATOM 637 CG PHE A 45 1.810 7.496 -0.188 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.469 6.706 -1.141 1.00 0.00 C ATOM 639 CD2 PHE A 45 0.713 8.281 -0.571 1.00 0.00 C ATOM 640 CE1 PHE A 45 2.010 6.670 -2.464 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.254 8.243 -1.895 1.00 0.00 C ATOM 642 CZ PHE A 45 0.895 7.430 -2.841 1.00 0.00 C ATOM 0 H PHE A 45 0.045 7.177 3.114 1.00 0.00 H new ATOM 0 HA PHE A 45 1.754 5.433 1.488 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.029 8.448 1.713 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.360 7.393 1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.332 6.124 -0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.222 8.914 0.153 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.516 6.056 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.596 8.842 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.530 7.390 -3.857 1.00 0.00 H new ATOM 652 N ILE A 46 3.588 5.766 3.398 1.00 0.00 N ATOM 653 CA ILE A 46 4.310 5.467 4.625 1.00 0.00 C ATOM 654 C ILE A 46 5.649 6.197 4.604 1.00 0.00 C ATOM 655 O ILE A 46 6.317 6.252 3.574 1.00 0.00 O ATOM 656 CB ILE A 46 4.466 3.950 4.764 1.00 0.00 C ATOM 657 CG1 ILE A 46 3.091 3.297 4.575 1.00 0.00 C ATOM 658 CG2 ILE A 46 5.034 3.608 6.144 1.00 0.00 C ATOM 659 CD1 ILE A 46 3.154 1.781 4.698 1.00 0.00 C ATOM 0 H ILE A 46 4.134 5.628 2.547 1.00 0.00 H new ATOM 0 HA ILE A 46 3.759 5.816 5.498 1.00 0.00 H new ATOM 0 HB ILE A 46 5.156 3.574 4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.398 3.692 5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.695 3.564 3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.142 2.527 6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.008 4.082 6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.356 3.971 6.917 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.157 1.363 4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.826 1.382 3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.524 1.511 5.687 1.00 0.00 H new ATOM 826 N ALA A 57 2.688 1.800 0.694 1.00 0.00 N ATOM 827 CA ALA A 57 1.453 2.555 0.778 1.00 0.00 C ATOM 828 C ALA A 57 0.234 1.655 0.976 1.00 0.00 C ATOM 829 O ALA A 57 0.344 0.431 1.038 1.00 0.00 O ATOM 830 CB ALA A 57 1.313 3.315 -0.543 1.00 0.00 C ATOM 0 HA ALA A 57 1.494 3.222 1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.394 3.902 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.167 3.980 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.278 2.605 -1.369 1.00 0.00 H new ATOM 836 N PHE A 58 -0.936 2.293 1.074 1.00 0.00 N ATOM 837 CA PHE A 58 -2.230 1.626 1.122 1.00 0.00 C ATOM 838 C PHE A 58 -3.227 2.390 0.258 1.00 0.00 C ATOM 839 O PHE A 58 -2.991 3.543 -0.102 1.00 0.00 O ATOM 840 CB PHE A 58 -2.766 1.584 2.554 1.00 0.00 C ATOM 841 CG PHE A 58 -1.896 0.887 3.568 1.00 0.00 C ATOM 842 CD1 PHE A 58 -1.999 -0.496 3.768 1.00 0.00 C ATOM 843 CD2 PHE A 58 -0.988 1.639 4.321 1.00 0.00 C ATOM 844 CE1 PHE A 58 -1.210 -1.123 4.744 1.00 0.00 C ATOM 845 CE2 PHE A 58 -0.208 1.016 5.299 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.318 -0.364 5.516 1.00 0.00 C ATOM 0 H PHE A 58 -1.006 3.309 1.123 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.103 0.608 0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.930 2.608 2.889 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.739 1.093 2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.685 -1.079 3.171 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.890 2.700 4.147 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.289 -2.189 4.901 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.482 1.600 5.890 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.283 -0.842 6.276 1.00 0.00 H new ATOM 856 N VAL A 59 -4.345 1.742 -0.072 1.00 0.00 N ATOM 857 CA VAL A 59 -5.413 2.348 -0.854 1.00 0.00 C ATOM 858 C VAL A 59 -6.754 1.809 -0.374 1.00 0.00 C ATOM 859 O VAL A 59 -7.002 0.606 -0.441 1.00 0.00 O ATOM 860 CB VAL A 59 -5.233 2.014 -2.342 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.320 2.702 -3.167 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.876 2.477 -2.868 1.00 0.00 C ATOM 0 H VAL A 59 -4.532 0.777 0.199 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.380 3.430 -0.726 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.300 0.930 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.185 2.460 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.300 2.356 -2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.252 3.781 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.789 2.222 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.788 3.557 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.081 1.983 -2.309 1.00 0.00 H new ATOM 872 N GLU A 60 -7.625 2.696 0.110 1.00 0.00 N ATOM 873 CA GLU A 60 -8.981 2.308 0.461 1.00 0.00 C ATOM 874 C GLU A 60 -9.826 2.283 -0.808 1.00 0.00 C ATOM 875 O GLU A 60 -9.557 3.027 -1.749 1.00 0.00 O ATOM 876 CB GLU A 60 -9.585 3.307 1.449 1.00 0.00 C ATOM 877 CG GLU A 60 -8.858 3.293 2.791 1.00 0.00 C ATOM 878 CD GLU A 60 -9.613 4.153 3.803 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.350 5.375 3.843 1.00 0.00 O ATOM 880 OE2 GLU A 60 -10.452 3.575 4.532 1.00 0.00 O ATOM 0 H GLU A 60 -7.412 3.681 0.265 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.963 1.323 0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.542 4.310 1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.638 3.072 1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.777 2.270 3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.842 3.669 2.668 1.00 0.00 H new ATOM 887 N LEU A 61 -10.851 1.428 -0.838 1.00 0.00 N ATOM 888 CA LEU A 61 -11.729 1.312 -1.995 1.00 0.00 C ATOM 889 C LEU A 61 -13.190 1.471 -1.589 1.00 0.00 C ATOM 890 O LEU A 61 -13.495 1.817 -0.448 1.00 0.00 O ATOM 891 CB LEU A 61 -11.521 -0.038 -2.680 1.00 0.00 C ATOM 892 CG LEU A 61 -10.042 -0.375 -2.893 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.911 -1.859 -3.196 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.478 0.414 -4.070 1.00 0.00 C ATOM 0 H LEU A 61 -11.091 0.804 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.478 2.110 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.984 -0.820 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.030 -0.033 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.489 -0.116 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.861 -2.108 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.303 -2.437 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.476 -2.098 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.426 0.162 -4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.032 0.163 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.572 1.482 -3.871 1.00 0.00 H new ATOM 906 N GLY A 62 -14.097 1.215 -2.535 1.00 0.00 N ATOM 907 CA GLY A 62 -15.516 1.420 -2.327 1.00 0.00 C ATOM 908 C GLY A 62 -16.279 0.132 -2.025 1.00 0.00 C ATOM 909 O GLY A 62 -17.261 0.176 -1.285 1.00 0.00 O ATOM 0 H GLY A 62 -13.860 0.861 -3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.657 2.119 -1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.942 1.886 -3.216 1.00 0.00 H new ATOM 913 N SER A 63 -15.850 -1.007 -2.580 1.00 0.00 N ATOM 914 CA SER A 63 -16.565 -2.266 -2.397 1.00 0.00 C ATOM 915 C SER A 63 -15.633 -3.469 -2.499 1.00 0.00 C ATOM 916 O SER A 63 -14.472 -3.344 -2.887 1.00 0.00 O ATOM 917 CB SER A 63 -17.653 -2.400 -3.467 1.00 0.00 C ATOM 918 OG SER A 63 -18.572 -1.329 -3.401 1.00 0.00 O ATOM 0 H SER A 63 -15.012 -1.079 -3.158 1.00 0.00 H new ATOM 0 HA SER A 63 -17.003 -2.251 -1.399 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.193 -2.427 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.181 -3.344 -3.335 1.00 0.00 H new ATOM 0 HG SER A 63 -19.254 -1.440 -4.096 1.00 0.00 H new ATOM 924 N GLU A 64 -16.156 -4.647 -2.144 1.00 0.00 N ATOM 925 CA GLU A 64 -15.430 -5.907 -2.239 1.00 0.00 C ATOM 926 C GLU A 64 -15.010 -6.188 -3.680 1.00 0.00 C ATOM 927 O GLU A 64 -13.999 -6.843 -3.921 1.00 0.00 O ATOM 928 CB GLU A 64 -16.341 -7.029 -1.740 1.00 0.00 C ATOM 929 CG GLU A 64 -15.664 -8.392 -1.869 1.00 0.00 C ATOM 930 CD GLU A 64 -16.556 -9.499 -1.313 1.00 0.00 C ATOM 931 OE1 GLU A 64 -16.566 -9.667 -0.073 1.00 0.00 O ATOM 932 OE2 GLU A 64 -17.223 -10.169 -2.134 1.00 0.00 O ATOM 0 H GLU A 64 -17.104 -4.748 -1.780 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.528 -5.848 -1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.606 -6.849 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.270 -7.027 -2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.439 -8.593 -2.916 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.714 -8.382 -1.335 1.00 0.00 H new ATOM 939 N ASP A 65 -15.778 -5.699 -4.653 1.00 0.00 N ATOM 940 CA ASP A 65 -15.447 -5.951 -6.043 1.00 0.00 C ATOM 941 C ASP A 65 -14.191 -5.178 -6.446 1.00 0.00 C ATOM 942 O ASP A 65 -13.478 -5.590 -7.357 1.00 0.00 O ATOM 943 CB ASP A 65 -16.636 -5.550 -6.915 1.00 0.00 C ATOM 944 CG ASP A 65 -16.434 -5.963 -8.370 1.00 0.00 C ATOM 945 OD1 ASP A 65 -16.207 -7.171 -8.603 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.510 -5.067 -9.240 1.00 0.00 O ATOM 0 H ASP A 65 -16.616 -5.138 -4.503 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.239 -7.012 -6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.544 -6.013 -6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.780 -4.471 -6.860 1.00 0.00 H new ATOM 951 N ASP A 66 -13.914 -4.056 -5.773 1.00 0.00 N ATOM 952 CA ASP A 66 -12.754 -3.239 -6.078 1.00 0.00 C ATOM 953 C ASP A 66 -11.493 -3.859 -5.484 1.00 0.00 C ATOM 954 O ASP A 66 -10.438 -3.807 -6.112 1.00 0.00 O ATOM 955 CB ASP A 66 -12.969 -1.842 -5.499 1.00 0.00 C ATOM 956 CG ASP A 66 -14.160 -1.141 -6.145 1.00 0.00 C ATOM 957 OD1 ASP A 66 -14.171 -1.060 -7.392 1.00 0.00 O ATOM 958 OD2 ASP A 66 -15.044 -0.696 -5.382 1.00 0.00 O ATOM 0 H ASP A 66 -14.488 -3.698 -5.009 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.629 -3.178 -7.159 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.129 -1.915 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.070 -1.244 -5.648 1.00 0.00 H new ATOM 963 N VAL A 67 -11.586 -4.446 -4.284 1.00 0.00 N ATOM 964 CA VAL A 67 -10.421 -5.072 -3.671 1.00 0.00 C ATOM 965 C VAL A 67 -10.040 -6.308 -4.470 1.00 0.00 C ATOM 966 O VAL A 67 -8.857 -6.565 -4.663 1.00 0.00 O ATOM 967 CB VAL A 67 -10.656 -5.385 -2.185 1.00 0.00 C ATOM 968 CG1 VAL A 67 -12.055 -5.901 -1.886 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.658 -6.411 -1.653 1.00 0.00 C ATOM 0 H VAL A 67 -12.442 -4.498 -3.731 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.585 -4.373 -3.696 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.521 -4.426 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.149 -6.101 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.790 -5.152 -2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.231 -6.821 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.860 -6.603 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.755 -7.339 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.645 -6.024 -1.763 1.00 0.00 H new ATOM 979 N LYS A 68 -11.023 -7.079 -4.942 1.00 0.00 N ATOM 980 CA LYS A 68 -10.731 -8.228 -5.777 1.00 0.00 C ATOM 981 C LYS A 68 -9.996 -7.787 -7.038 1.00 0.00 C ATOM 982 O LYS A 68 -8.995 -8.395 -7.408 1.00 0.00 O ATOM 983 CB LYS A 68 -12.041 -8.931 -6.125 1.00 0.00 C ATOM 984 CG LYS A 68 -12.576 -9.672 -4.901 1.00 0.00 C ATOM 985 CD LYS A 68 -13.932 -10.293 -5.231 1.00 0.00 C ATOM 986 CE LYS A 68 -14.450 -11.068 -4.021 1.00 0.00 C ATOM 987 NZ LYS A 68 -15.775 -11.658 -4.291 1.00 0.00 N ATOM 0 H LYS A 68 -12.014 -6.925 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.085 -8.923 -5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.775 -8.202 -6.469 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.881 -9.632 -6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.873 -10.448 -4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.674 -8.984 -4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.642 -9.514 -5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.839 -10.959 -6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.744 -11.857 -3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.514 -10.402 -3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.474 -11.257 -3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.057 -11.444 -5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.729 -12.689 -4.161 1.00 0.00 H new ATOM 1001 N MET A 69 -10.486 -6.733 -7.698 1.00 0.00 N ATOM 1002 CA MET A 69 -9.882 -6.246 -8.929 1.00 0.00 C ATOM 1003 C MET A 69 -8.488 -5.669 -8.694 1.00 0.00 C ATOM 1004 O MET A 69 -7.654 -5.711 -9.596 1.00 0.00 O ATOM 1005 CB MET A 69 -10.798 -5.199 -9.565 1.00 0.00 C ATOM 1006 CG MET A 69 -11.960 -5.894 -10.274 1.00 0.00 C ATOM 1007 SD MET A 69 -12.952 -4.816 -11.342 1.00 0.00 S ATOM 1008 CE MET A 69 -13.484 -3.581 -10.132 1.00 0.00 C ATOM 0 H MET A 69 -11.303 -6.203 -7.394 1.00 0.00 H new ATOM 0 HA MET A 69 -9.765 -7.091 -9.607 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.179 -4.522 -8.800 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.236 -4.593 -10.276 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.563 -6.712 -10.875 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.613 -6.338 -9.522 1.00 0.00 H new ATOM 0 HE1 MET A 69 -14.207 -2.908 -10.593 1.00 0.00 H new ATOM 0 HE2 MET A 69 -13.946 -4.081 -9.281 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.621 -3.009 -9.792 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.217 -5.131 -7.502 1.00 0.00 N ATOM 1019 CA ALA A 70 -6.898 -4.608 -7.181 1.00 0.00 C ATOM 1020 C ALA A 70 -5.884 -5.740 -7.010 1.00 0.00 C ATOM 1021 O ALA A 70 -4.687 -5.531 -7.197 1.00 0.00 O ATOM 1022 CB ALA A 70 -6.994 -3.778 -5.902 1.00 0.00 C ATOM 0 H ALA A 70 -8.898 -5.049 -6.747 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.552 -3.980 -8.002 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.010 -3.381 -5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.690 -2.953 -6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.350 -4.407 -5.086 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.353 -6.939 -6.654 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.497 -8.103 -6.480 1.00 0.00 C ATOM 1030 C LEU A 71 -5.241 -8.814 -7.811 1.00 0.00 C ATOM 1031 O LEU A 71 -4.335 -9.640 -7.902 1.00 0.00 O ATOM 1032 CB LEU A 71 -6.162 -9.042 -5.473 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.341 -8.338 -4.123 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.234 -9.171 -3.210 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -5.000 -8.090 -3.447 1.00 0.00 C ATOM 0 H LEU A 71 -7.341 -7.124 -6.479 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.524 -7.786 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.131 -9.366 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.554 -9.938 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.813 -7.373 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.354 -8.661 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.210 -9.302 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.777 -10.147 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.161 -7.590 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.496 -9.042 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.381 -7.461 -4.087 1.00 0.00 H new ATOM 1047 N LYS A 72 -6.027 -8.503 -8.849 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.830 -9.078 -10.181 1.00 0.00 C ATOM 1049 C LYS A 72 -4.562 -8.577 -10.876 1.00 0.00 C ATOM 1050 O LYS A 72 -4.217 -9.087 -11.941 1.00 0.00 O ATOM 1051 CB LYS A 72 -7.031 -8.778 -11.080 1.00 0.00 C ATOM 1052 CG LYS A 72 -8.336 -9.355 -10.530 1.00 0.00 C ATOM 1053 CD LYS A 72 -8.271 -10.875 -10.357 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.549 -11.348 -9.668 1.00 0.00 C ATOM 1055 NZ LYS A 72 -9.562 -12.817 -9.521 1.00 0.00 N ATOM 0 H LYS A 72 -6.810 -7.852 -8.789 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.723 -10.152 -10.026 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.135 -7.699 -11.194 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.848 -9.187 -12.074 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.559 -8.891 -9.569 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.155 -9.103 -11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.163 -11.361 -11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.399 -11.150 -9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.631 -10.881 -8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.417 -11.030 -10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.441 -13.111 -9.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.507 -13.260 -10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.746 -13.116 -8.949 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.868 -7.593 -10.295 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.630 -7.061 -10.855 1.00 0.00 C ATOM 1071 C LYS A 73 -1.561 -6.954 -9.776 1.00 0.00 C ATOM 1072 O LYS A 73 -0.635 -6.151 -9.866 1.00 0.00 O ATOM 1073 CB LYS A 73 -2.890 -5.725 -11.556 1.00 0.00 C ATOM 1074 CG LYS A 73 -3.238 -4.595 -10.591 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.719 -4.531 -10.211 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.650 -4.394 -11.420 1.00 0.00 C ATOM 1077 NZ LYS A 73 -5.215 -3.335 -12.350 1.00 0.00 N ATOM 0 H LYS A 73 -4.152 -7.146 -9.423 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.253 -7.750 -11.611 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.006 -5.445 -12.129 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.705 -5.849 -12.269 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.646 -4.712 -9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.948 -3.645 -11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.984 -5.432 -9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.879 -3.686 -9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.693 -5.345 -11.951 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.660 -4.177 -11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.020 -3.035 -12.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.859 -2.522 -11.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.458 -3.700 -12.963 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.723 -7.791 -8.754 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.895 -7.869 -7.562 1.00 0.00 C ATOM 1093 C ASP A 74 0.626 -7.838 -7.756 1.00 0.00 C ATOM 1094 O ASP A 74 1.325 -7.658 -6.762 1.00 0.00 O ATOM 1095 CB ASP A 74 -1.329 -9.098 -6.760 1.00 0.00 C ATOM 1096 CG ASP A 74 -1.179 -10.418 -7.522 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -0.611 -10.403 -8.637 1.00 0.00 O ATOM 1098 OD2 ASP A 74 -1.639 -11.444 -6.974 1.00 0.00 O ATOM 0 H ASP A 74 -2.482 -8.472 -8.739 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.072 -6.938 -7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.740 -9.149 -5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.371 -8.977 -6.463 1.00 0.00 H new ATOM 1103 N ARG A 75 1.160 -8.000 -8.976 1.00 0.00 N ATOM 1104 CA ARG A 75 2.604 -7.905 -9.216 1.00 0.00 C ATOM 1105 C ARG A 75 2.936 -7.367 -10.612 1.00 0.00 C ATOM 1106 O ARG A 75 4.014 -7.655 -11.128 1.00 0.00 O ATOM 1107 CB ARG A 75 3.305 -9.247 -9.016 1.00 0.00 C ATOM 1108 CG ARG A 75 2.874 -9.965 -7.748 1.00 0.00 C ATOM 1109 CD ARG A 75 3.734 -11.210 -7.613 1.00 0.00 C ATOM 1110 NE ARG A 75 5.025 -10.901 -6.994 1.00 0.00 N ATOM 1111 CZ ARG A 75 5.993 -11.797 -6.788 1.00 0.00 C ATOM 1112 NH1 ARG A 75 5.835 -13.068 -7.150 1.00 0.00 N ATOM 1113 NH2 ARG A 75 7.130 -11.415 -6.214 1.00 0.00 N ATOM 0 H ARG A 75 0.610 -8.198 -9.812 1.00 0.00 H new ATOM 0 HA ARG A 75 2.974 -7.195 -8.477 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.102 -9.887 -9.875 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.383 -9.086 -8.986 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.998 -9.318 -6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.818 -10.232 -7.799 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.209 -11.954 -7.013 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.896 -11.651 -8.597 1.00 0.00 H new ATOM 0 HE ARG A 75 5.196 -9.939 -6.701 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.966 -13.368 -7.591 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.583 -13.742 -6.986 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.258 -10.443 -5.934 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.874 -12.094 -6.054 1.00 0.00 H new ATOM 1127 N GLU A 76 2.038 -6.595 -11.235 1.00 0.00 N ATOM 1128 CA GLU A 76 2.289 -6.030 -12.561 1.00 0.00 C ATOM 1129 C GLU A 76 3.471 -5.059 -12.559 1.00 0.00 C ATOM 1130 O GLU A 76 4.225 -4.971 -11.593 1.00 0.00 O ATOM 1131 CB GLU A 76 1.034 -5.360 -13.120 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.058 -6.388 -13.381 1.00 0.00 C ATOM 1133 CD GLU A 76 0.427 -7.548 -14.249 1.00 0.00 C ATOM 1134 OE1 GLU A 76 0.777 -7.286 -15.422 1.00 0.00 O ATOM 1135 OE2 GLU A 76 0.444 -8.689 -13.735 1.00 0.00 O ATOM 0 H GLU A 76 1.131 -6.348 -10.840 1.00 0.00 H new ATOM 0 HA GLU A 76 2.555 -6.860 -13.216 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.673 -4.610 -12.416 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.277 -4.838 -14.046 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.421 -6.777 -12.430 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.902 -5.901 -13.869 1.00 0.00 H new ATOM 1142 N SER A 77 3.639 -4.317 -13.656 1.00 0.00 N ATOM 1143 CA SER A 77 4.863 -3.553 -13.877 1.00 0.00 C ATOM 1144 C SER A 77 4.672 -2.175 -14.502 1.00 0.00 C ATOM 1145 O SER A 77 5.663 -1.487 -14.739 1.00 0.00 O ATOM 1146 CB SER A 77 5.754 -4.371 -14.804 1.00 0.00 C ATOM 1147 OG SER A 77 5.082 -4.594 -16.029 1.00 0.00 O ATOM 0 H SER A 77 2.946 -4.231 -14.399 1.00 0.00 H new ATOM 0 HA SER A 77 5.294 -3.375 -12.892 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.692 -3.845 -14.982 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.006 -5.323 -14.337 1.00 0.00 H new ATOM 0 HG SER A 77 5.655 -5.119 -16.626 1.00 0.00 H new ATOM 1153 N MET A 78 3.433 -1.761 -14.774 1.00 0.00 N ATOM 1154 CA MET A 78 3.154 -0.543 -15.538 1.00 0.00 C ATOM 1155 C MET A 78 3.900 -0.539 -16.879 1.00 0.00 C ATOM 1156 O MET A 78 3.941 0.485 -17.558 1.00 0.00 O ATOM 1157 CB MET A 78 3.503 0.711 -14.723 1.00 0.00 C ATOM 1158 CG MET A 78 2.548 0.949 -13.555 1.00 0.00 C ATOM 1159 SD MET A 78 3.067 2.339 -12.507 1.00 0.00 S ATOM 1160 CE MET A 78 1.625 2.490 -11.421 1.00 0.00 C ATOM 0 H MET A 78 2.596 -2.259 -14.472 1.00 0.00 H new ATOM 0 HA MET A 78 2.085 -0.528 -15.749 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.519 0.618 -14.341 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.488 1.580 -15.380 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.547 1.143 -13.941 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.486 0.045 -12.950 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.896 3.062 -10.534 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.822 3.002 -11.951 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.288 1.497 -11.123 1.00 0.00 H new ATOM 1170 N GLY A 79 4.487 -1.676 -17.267 1.00 0.00 N ATOM 1171 CA GLY A 79 5.235 -1.808 -18.508 1.00 0.00 C ATOM 1172 C GLY A 79 6.646 -1.227 -18.420 1.00 0.00 C ATOM 1173 O GLY A 79 7.336 -1.174 -19.438 1.00 0.00 O ATOM 0 H GLY A 79 4.452 -2.535 -16.718 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.298 -2.862 -18.777 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.691 -1.307 -19.309 1.00 0.00 H new ATOM 1177 N HIS A 80 7.090 -0.788 -17.233 1.00 0.00 N ATOM 1178 CA HIS A 80 8.382 -0.124 -17.100 1.00 0.00 C ATOM 1179 C HIS A 80 9.123 -0.443 -15.797 1.00 0.00 C ATOM 1180 O HIS A 80 10.299 -0.098 -15.682 1.00 0.00 O ATOM 1181 CB HIS A 80 8.160 1.389 -17.192 1.00 0.00 C ATOM 1182 CG HIS A 80 7.513 1.820 -18.481 1.00 0.00 C ATOM 1183 ND1 HIS A 80 6.181 2.107 -18.674 1.00 0.00 N ATOM 1184 CD2 HIS A 80 8.143 1.998 -19.682 1.00 0.00 C ATOM 1185 CE1 HIS A 80 6.021 2.458 -19.962 1.00 0.00 C ATOM 1186 NE2 HIS A 80 7.190 2.407 -20.622 1.00 0.00 N ATOM 0 H HIS A 80 6.572 -0.883 -16.359 1.00 0.00 H new ATOM 0 HA HIS A 80 9.013 -0.498 -17.906 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.537 1.709 -16.357 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.119 1.897 -17.088 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.447 2.062 -17.967 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.196 1.849 -19.872 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.079 2.743 -20.407 1.00 0.00 H new ATOM 1194 N ARG A 81 8.476 -1.086 -14.817 1.00 0.00 N ATOM 1195 CA ARG A 81 9.126 -1.405 -13.547 1.00 0.00 C ATOM 1196 C ARG A 81 8.468 -2.619 -12.887 1.00 0.00 C ATOM 1197 O ARG A 81 8.409 -3.688 -13.489 1.00 0.00 O ATOM 1198 CB ARG A 81 9.153 -0.147 -12.660 1.00 0.00 C ATOM 1199 CG ARG A 81 9.937 -0.298 -11.344 1.00 0.00 C ATOM 1200 CD ARG A 81 11.284 -1.003 -11.504 1.00 0.00 C ATOM 1201 NE ARG A 81 11.892 -1.242 -10.189 1.00 0.00 N ATOM 1202 CZ ARG A 81 13.195 -1.456 -9.985 1.00 0.00 C ATOM 1203 NH1 ARG A 81 14.053 -1.470 -11.003 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.645 -1.659 -8.750 1.00 0.00 N ATOM 0 H ARG A 81 7.506 -1.393 -14.882 1.00 0.00 H new ATOM 0 HA ARG A 81 10.162 -1.698 -13.715 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.586 0.674 -13.232 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.127 0.136 -12.424 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.104 0.691 -10.916 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.329 -0.855 -10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.147 -1.950 -12.027 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.950 -0.395 -12.116 1.00 0.00 H new ATOM 0 HE ARG A 81 11.277 -1.245 -9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.718 -1.316 -11.954 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.045 -1.635 -10.832 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.996 -1.651 -7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.639 -1.823 -8.590 1.00 0.00 H new ATOM 1218 N TYR A 82 7.978 -2.460 -11.657 1.00 0.00 N ATOM 1219 CA TYR A 82 7.439 -3.534 -10.839 1.00 0.00 C ATOM 1220 C TYR A 82 6.617 -2.898 -9.730 1.00 0.00 C ATOM 1221 O TYR A 82 7.138 -2.155 -8.896 1.00 0.00 O ATOM 1222 CB TYR A 82 8.622 -4.336 -10.287 1.00 0.00 C ATOM 1223 CG TYR A 82 8.375 -5.494 -9.333 1.00 0.00 C ATOM 1224 CD1 TYR A 82 7.114 -6.099 -9.141 1.00 0.00 C ATOM 1225 CD2 TYR A 82 9.489 -5.963 -8.624 1.00 0.00 C ATOM 1226 CE1 TYR A 82 6.985 -7.179 -8.245 1.00 0.00 C ATOM 1227 CE2 TYR A 82 9.369 -7.040 -7.741 1.00 0.00 C ATOM 1228 CZ TYR A 82 8.120 -7.660 -7.557 1.00 0.00 C ATOM 1229 OH TYR A 82 8.024 -8.722 -6.713 1.00 0.00 O ATOM 0 H TYR A 82 7.947 -1.552 -11.194 1.00 0.00 H new ATOM 0 HA TYR A 82 6.796 -4.211 -11.402 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.173 -4.731 -11.141 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.282 -3.633 -9.779 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.251 -5.735 -9.679 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.449 -5.488 -8.761 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.020 -7.638 -8.085 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.234 -7.395 -7.201 1.00 0.00 H new ATOM 0 HH TYR A 82 7.151 -8.709 -6.269 1.00 0.00 H new ATOM 1239 N ILE A 83 5.321 -3.205 -9.740 1.00 0.00 N ATOM 1240 CA ILE A 83 4.374 -2.710 -8.763 1.00 0.00 C ATOM 1241 C ILE A 83 3.758 -3.928 -8.098 1.00 0.00 C ATOM 1242 O ILE A 83 3.759 -5.013 -8.674 1.00 0.00 O ATOM 1243 CB ILE A 83 3.258 -1.894 -9.431 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.729 -1.040 -10.614 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.560 -1.016 -8.388 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.765 0.017 -10.249 1.00 0.00 C ATOM 0 H ILE A 83 4.901 -3.815 -10.441 1.00 0.00 H new ATOM 0 HA ILE A 83 4.882 -2.060 -8.050 1.00 0.00 H new ATOM 0 HB ILE A 83 2.558 -2.618 -9.848 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.149 -1.696 -11.377 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.864 -0.547 -11.059 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.769 -0.440 -8.868 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.128 -1.647 -7.611 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.285 -0.336 -7.941 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.044 0.576 -11.142 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.344 0.699 -9.510 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.648 -0.468 -9.833 1.00 0.00 H new ATOM 1258 N GLU A 84 3.230 -3.762 -6.890 1.00 0.00 N ATOM 1259 CA GLU A 84 2.631 -4.873 -6.186 1.00 0.00 C ATOM 1260 C GLU A 84 1.429 -4.430 -5.370 1.00 0.00 C ATOM 1261 O GLU A 84 1.298 -3.260 -5.012 1.00 0.00 O ATOM 1262 CB GLU A 84 3.681 -5.507 -5.278 1.00 0.00 C ATOM 1263 CG GLU A 84 4.506 -6.527 -6.058 1.00 0.00 C ATOM 1264 CD GLU A 84 5.423 -7.331 -5.141 1.00 0.00 C ATOM 1265 OE1 GLU A 84 5.990 -6.715 -4.212 1.00 0.00 O ATOM 1266 OE2 GLU A 84 5.544 -8.552 -5.386 1.00 0.00 O ATOM 0 H GLU A 84 3.208 -2.875 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 84 2.279 -5.602 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.334 -4.735 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.195 -5.992 -4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.838 -7.205 -6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.104 -6.013 -6.810 1.00 0.00 H new ATOM 1273 N VAL A 85 0.553 -5.394 -5.082 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.658 -5.175 -4.313 1.00 0.00 C ATOM 1275 C VAL A 85 -0.841 -6.363 -3.380 1.00 0.00 C ATOM 1276 O VAL A 85 -0.369 -7.464 -3.663 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.882 -5.052 -5.234 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -3.037 -4.372 -4.497 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.578 -4.239 -6.491 1.00 0.00 C ATOM 0 H VAL A 85 0.673 -6.361 -5.384 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.568 -4.246 -3.750 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.154 -6.066 -5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.897 -4.292 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.309 -4.963 -3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.730 -3.375 -4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.473 -4.179 -7.111 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.265 -3.234 -6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.779 -4.723 -7.053 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.530 -6.140 -2.263 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.787 -7.184 -1.286 1.00 0.00 C ATOM 1291 C PHE A 86 -3.071 -6.823 -0.554 1.00 0.00 C ATOM 1292 O PHE A 86 -3.387 -5.646 -0.398 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.582 -7.259 -0.348 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.478 -8.474 0.544 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.152 -8.490 1.770 1.00 0.00 C ATOM 1296 CD2 PHE A 86 0.297 -9.579 0.157 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -1.040 -9.593 2.626 1.00 0.00 C ATOM 1298 CE2 PHE A 86 0.426 -10.673 1.024 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.246 -10.685 2.255 1.00 0.00 C ATOM 0 H PHE A 86 -1.923 -5.232 -2.014 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.918 -8.165 -1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.322 -7.206 -0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.592 -6.373 0.287 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.762 -7.647 2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.791 -9.586 -0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.565 -9.601 3.570 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.046 -11.511 0.743 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.151 -11.534 2.915 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.823 -7.823 -0.102 1.00 0.00 N ATOM 1310 CA LYS A 87 -5.114 -7.576 0.516 1.00 0.00 C ATOM 1311 C LYS A 87 -4.924 -6.982 1.909 1.00 0.00 C ATOM 1312 O LYS A 87 -3.936 -7.263 2.581 1.00 0.00 O ATOM 1313 CB LYS A 87 -5.898 -8.886 0.540 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.371 -8.615 0.822 1.00 0.00 C ATOM 1315 CD LYS A 87 -8.158 -9.925 0.850 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.628 -9.643 1.158 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.417 -10.889 1.177 1.00 0.00 N ATOM 0 H LYS A 87 -3.558 -8.807 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.685 -6.846 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.792 -9.399 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.490 -9.548 1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.476 -8.100 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.779 -7.955 0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.070 -10.433 -0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.741 -10.593 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.711 -9.142 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.035 -8.963 0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.411 -10.667 1.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.356 -11.353 0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.041 -11.527 1.908 1.00 0.00 H new ATOM 1331 N SER A 88 -5.875 -6.156 2.346 1.00 0.00 N ATOM 1332 CA SER A 88 -5.794 -5.485 3.636 1.00 0.00 C ATOM 1333 C SER A 88 -7.159 -5.455 4.324 1.00 0.00 C ATOM 1334 O SER A 88 -8.108 -6.089 3.868 1.00 0.00 O ATOM 1335 CB SER A 88 -5.230 -4.077 3.436 1.00 0.00 C ATOM 1336 OG SER A 88 -4.900 -3.501 4.683 1.00 0.00 O ATOM 0 H SER A 88 -6.718 -5.936 1.816 1.00 0.00 H new ATOM 0 HA SER A 88 -5.123 -6.040 4.292 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.345 -4.119 2.801 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.962 -3.454 2.922 1.00 0.00 H new ATOM 0 HG SER A 88 -4.539 -2.601 4.542 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.259 -4.713 5.432 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.461 -4.670 6.250 1.00 0.00 C ATOM 1344 C HIS A 89 -8.716 -3.260 6.778 1.00 0.00 C ATOM 1345 O HIS A 89 -9.860 -2.815 6.731 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.322 -5.685 7.392 1.00 0.00 C ATOM 1347 CG HIS A 89 -6.953 -5.737 8.027 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -6.628 -5.354 9.309 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -5.798 -6.179 7.438 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -5.304 -5.541 9.470 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -4.752 -6.045 8.356 1.00 0.00 N ATOM 0 H HIS A 89 -6.502 -4.126 5.782 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.325 -4.938 5.642 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.056 -5.448 8.162 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.569 -6.676 7.011 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.710 -6.566 6.434 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.759 -5.315 10.375 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.771 -6.282 8.209 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.657 -2.590 7.262 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.574 -1.182 7.676 1.00 0.00 C ATOM 1361 C ARG A 90 -6.884 -1.002 9.027 1.00 0.00 C ATOM 1362 O ARG A 90 -6.379 0.080 9.310 1.00 0.00 O ATOM 1363 CB ARG A 90 -8.910 -0.425 7.671 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.830 -0.787 8.845 1.00 0.00 C ATOM 1365 CD ARG A 90 -11.093 0.077 8.822 1.00 0.00 C ATOM 1366 NE ARG A 90 -11.816 -0.048 7.549 1.00 0.00 N ATOM 1367 CZ ARG A 90 -11.750 0.842 6.552 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -11.002 1.936 6.661 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -12.438 0.638 5.431 1.00 0.00 N ATOM 0 H ARG A 90 -6.761 -3.061 7.383 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.958 -0.732 6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.710 0.646 7.695 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.431 -0.632 6.736 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.102 -1.841 8.790 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.301 -0.643 9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.748 -0.215 9.643 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.823 1.120 8.986 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.408 -0.868 7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.468 2.106 7.513 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.962 2.605 5.892 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.016 -0.197 5.332 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.388 1.317 4.671 1.00 0.00 H new ATOM 1383 N THR A 91 -6.852 -2.042 9.866 1.00 0.00 N ATOM 1384 CA THR A 91 -6.227 -1.927 11.180 1.00 0.00 C ATOM 1385 C THR A 91 -4.715 -1.781 11.035 1.00 0.00 C ATOM 1386 O THR A 91 -4.086 -1.063 11.810 1.00 0.00 O ATOM 1387 CB THR A 91 -6.579 -3.147 12.036 1.00 0.00 C ATOM 1388 OG1 THR A 91 -7.978 -3.209 12.216 1.00 0.00 O ATOM 1389 CG2 THR A 91 -5.921 -3.062 13.411 1.00 0.00 C ATOM 0 H THR A 91 -7.247 -2.960 9.660 1.00 0.00 H new ATOM 0 HA THR A 91 -6.607 -1.036 11.679 1.00 0.00 H new ATOM 0 HB THR A 91 -6.216 -4.036 11.520 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.203 -3.991 12.762 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.188 -3.941 13.997 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.838 -3.019 13.294 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.266 -2.165 13.925 1.00 0.00 H new ATOM 1397 N GLU A 92 -4.124 -2.458 10.046 1.00 0.00 N ATOM 1398 CA GLU A 92 -2.703 -2.315 9.767 1.00 0.00 C ATOM 1399 C GLU A 92 -2.448 -0.967 9.100 1.00 0.00 C ATOM 1400 O GLU A 92 -1.432 -0.329 9.361 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.256 -3.458 8.858 1.00 0.00 C ATOM 1402 CG GLU A 92 -0.737 -3.442 8.691 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.265 -4.600 7.814 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -0.334 -5.755 8.289 1.00 0.00 O ATOM 1405 OE2 GLU A 92 0.163 -4.323 6.671 1.00 0.00 O ATOM 0 H GLU A 92 -4.612 -3.108 9.429 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.133 -2.356 10.695 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.572 -4.412 9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.736 -3.366 7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.427 -2.496 8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.260 -3.506 9.669 1.00 0.00 H new ATOM 1412 N MET A 93 -3.374 -0.539 8.239 1.00 0.00 N ATOM 1413 CA MET A 93 -3.260 0.726 7.532 1.00 0.00 C ATOM 1414 C MET A 93 -3.267 1.891 8.515 1.00 0.00 C ATOM 1415 O MET A 93 -2.583 2.884 8.296 1.00 0.00 O ATOM 1416 CB MET A 93 -4.438 0.854 6.566 1.00 0.00 C ATOM 1417 CG MET A 93 -4.371 2.165 5.784 1.00 0.00 C ATOM 1418 SD MET A 93 -5.834 2.476 4.765 1.00 0.00 S ATOM 1419 CE MET A 93 -7.020 2.810 6.093 1.00 0.00 C ATOM 0 H MET A 93 -4.220 -1.063 8.017 1.00 0.00 H new ATOM 0 HA MET A 93 -2.319 0.750 6.982 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.436 0.013 5.872 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.374 0.806 7.122 1.00 0.00 H new ATOM 0 HG2 MET A 93 -4.244 2.990 6.485 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.489 2.152 5.144 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.787 2.035 6.099 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.501 2.815 7.052 1.00 0.00 H new ATOM 0 HE3 MET A 93 -7.487 3.781 5.928 1.00 0.00 H new ATOM 1429 N ASP A 94 -4.035 1.781 9.600 1.00 0.00 N ATOM 1430 CA ASP A 94 -4.093 2.825 10.609 1.00 0.00 C ATOM 1431 C ASP A 94 -2.836 2.834 11.473 1.00 0.00 C ATOM 1432 O ASP A 94 -2.453 3.872 12.011 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.309 2.568 11.490 1.00 0.00 C ATOM 1434 CG ASP A 94 -5.565 3.727 12.448 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -5.930 4.816 11.952 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.394 3.515 13.670 1.00 0.00 O ATOM 0 H ASP A 94 -4.626 0.973 9.798 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.165 3.793 10.114 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.187 2.413 10.863 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.159 1.651 12.060 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.195 1.670 11.606 1.00 0.00 N ATOM 1442 CA TRP A 95 -1.036 1.507 12.468 1.00 0.00 C ATOM 1443 C TRP A 95 0.244 2.070 11.856 1.00 0.00 C ATOM 1444 O TRP A 95 0.774 3.065 12.347 1.00 0.00 O ATOM 1445 CB TRP A 95 -0.843 0.022 12.770 1.00 0.00 C ATOM 1446 CG TRP A 95 0.310 -0.277 13.673 1.00 0.00 C ATOM 1447 CD1 TRP A 95 0.367 -0.008 14.996 1.00 0.00 C ATOM 1448 CD2 TRP A 95 1.591 -0.899 13.344 1.00 0.00 C ATOM 1449 NE1 TRP A 95 1.588 -0.403 15.503 1.00 0.00 N ATOM 1450 CE2 TRP A 95 2.389 -0.950 14.521 1.00 0.00 C ATOM 1451 CE3 TRP A 95 2.159 -1.415 12.165 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 3.688 -1.472 14.525 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 3.462 -1.936 12.156 1.00 0.00 C ATOM 1454 CH2 TRP A 95 4.227 -1.967 13.332 1.00 0.00 C ATOM 0 H TRP A 95 -2.470 0.818 11.117 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.228 2.070 13.381 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -1.755 -0.366 13.224 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.702 -0.513 11.831 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.425 0.448 15.571 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.864 -0.303 16.480 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.583 -1.410 11.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.267 -1.492 15.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.880 -2.317 11.236 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.228 -2.371 13.317 1.00 0.00 H new ATOM 1465 N VAL A 96 0.751 1.445 10.788 1.00 0.00 N ATOM 1466 CA VAL A 96 2.054 1.795 10.229 1.00 0.00 C ATOM 1467 C VAL A 96 2.068 3.217 9.662 1.00 0.00 C ATOM 1468 O VAL A 96 3.138 3.793 9.474 1.00 0.00 O ATOM 1469 CB VAL A 96 2.463 0.742 9.193 1.00 0.00 C ATOM 1470 CG1 VAL A 96 1.478 0.726 8.040 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.875 0.993 8.669 1.00 0.00 C ATOM 0 H VAL A 96 0.273 0.691 10.294 1.00 0.00 H new ATOM 0 HA VAL A 96 2.796 1.792 11.028 1.00 0.00 H new ATOM 0 HB VAL A 96 2.453 -0.230 9.687 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.782 -0.027 7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.483 0.487 8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.461 1.706 7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.133 0.228 7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.919 1.975 8.199 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.583 0.955 9.497 1.00 0.00 H new ATOM 1481 N LEU A 97 0.891 3.787 9.387 1.00 0.00 N ATOM 1482 CA LEU A 97 0.765 5.157 8.904 1.00 0.00 C ATOM 1483 C LEU A 97 1.335 6.160 9.914 1.00 0.00 C ATOM 1484 O LEU A 97 1.631 7.296 9.545 1.00 0.00 O ATOM 1485 CB LEU A 97 -0.721 5.454 8.660 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.112 5.658 7.191 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.499 6.949 6.652 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -0.687 4.495 6.295 1.00 0.00 C ATOM 0 H LEU A 97 -0.002 3.306 9.495 1.00 0.00 H new ATOM 0 HA LEU A 97 1.333 5.259 7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.311 4.632 9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.993 6.349 9.220 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.200 5.715 7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.785 7.080 5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.861 7.795 7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.587 6.895 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.991 4.697 5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.396 4.380 6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.163 3.577 6.640 1.00 0.00 H new ATOM 1500 N LYS A 98 1.486 5.749 11.180 1.00 0.00 N ATOM 1501 CA LYS A 98 1.988 6.589 12.257 1.00 0.00 C ATOM 1502 C LYS A 98 2.949 5.835 13.180 1.00 0.00 C ATOM 1503 O LYS A 98 3.275 6.332 14.256 1.00 0.00 O ATOM 1504 CB LYS A 98 0.790 7.099 13.053 1.00 0.00 C ATOM 1505 CG LYS A 98 -0.066 8.055 12.221 1.00 0.00 C ATOM 1506 CD LYS A 98 0.660 9.381 11.972 1.00 0.00 C ATOM 1507 CE LYS A 98 -0.204 10.327 11.136 1.00 0.00 C ATOM 1508 NZ LYS A 98 -0.396 9.815 9.766 1.00 0.00 N ATOM 0 H LYS A 98 1.256 4.802 11.482 1.00 0.00 H new ATOM 0 HA LYS A 98 2.552 7.415 11.825 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.183 6.255 13.380 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.138 7.608 13.952 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.313 7.589 11.267 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.008 8.245 12.736 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.904 9.851 12.925 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.603 9.193 11.458 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.174 10.456 11.617 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.265 11.310 11.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.142 10.555 9.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.210 8.983 9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.392 9.546 9.632 1.00 0.00 H new