USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 812 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 43 SER OG : rot 180:sc= 0.887 USER MOD Set 1.2: A 45 SER OG : rot -19:sc= 1.04 USER MOD Set 2.1: A 34 LYS NZ :NH3+ -170:sc= 0.804 (180deg=-0.344) USER MOD Set 2.2: A 107 THR OG1 : rot -120:sc= 0.801 USER MOD Set 3.1: A 13 LYS NZ :NH3+ -167:sc= 1.41 (180deg=0.662) USER MOD Set 3.2: A 27 GLN : amide:sc= 0.626 K(o=1,f=-7.7!) USER MOD Set 3.3: A 32 MET CE :methyl 166:sc= -0.232 (180deg=-0.163) USER MOD Set 3.4: A 110 CYS SG : rot 60:sc= -0.805 USER MOD Single : A 18 THR OG1 : rot -51:sc= 0.34 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0297) USER MOD Single : A 33 ASN : amide:sc= -3.97! C(o=-4!,f=-3.5!) USER MOD Single : A 37 SER OG : rot -67:sc= 1.13 USER MOD Single : A 46 ASN : amide:sc= -6.64! C(o=-6.6!,f=-9.5!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 66:sc= 0.431 USER MOD Single : A 53 SER OG : rot -150:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -124:sc= 0.984 (180deg=-1.87!) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00011 USER MOD Single : A 59 THR OG1 : rot -23:sc= 0.44 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 158:sc= -0.99 (180deg=-2.73!) USER MOD Single : A 66 HIS : no HD1:sc= -0.445 K(o=-0.44,f=-1) USER MOD Single : A 67 TYR OH : rot -61:sc= 0.991 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 121:sc=-0.00228 USER MOD Single : A 74 ASN : amide:sc=-0.00134 K(o=-0.0013,f=-3.4!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.265 USER MOD Single : A 89 GLN :FLIP amide:sc= -1.71 F(o=-2.2,f=-1.7) USER MOD Single : A 93 GLN : amide:sc= -0.914 K(o=-0.91,f=-1.4) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 95 TYR OH : rot -130:sc= 0 USER MOD Single : A 96 SER OG : rot 33:sc= 1.31 USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0552) USER MOD Single : A 98 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0183) USER MOD Single : A 103 CYS SG : rot -67:sc= -1.24 USER MOD Single : A 104 GLN : amide:sc= -0.0279 K(o=-0.028,f=-1.9) USER MOD Single : A 105 LYS NZ :NH3+ -158:sc= 0.802 (180deg=0.455) USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 -9.993 -0.374 -7.313 1.00 0.00 N ATOM 172 CA LYS A 13 -9.045 -0.928 -8.232 1.00 0.00 C ATOM 173 C LYS A 13 -8.002 0.056 -8.767 1.00 0.00 C ATOM 174 O LYS A 13 -8.182 0.882 -9.650 1.00 0.00 O ATOM 175 CB LYS A 13 -9.782 -1.806 -9.222 1.00 0.00 C ATOM 176 CG LYS A 13 -10.435 -2.967 -8.445 1.00 0.00 C ATOM 177 CD LYS A 13 -9.429 -4.102 -8.178 1.00 0.00 C ATOM 178 CE LYS A 13 -10.067 -5.279 -7.447 1.00 0.00 C ATOM 179 NZ LYS A 13 -9.098 -6.309 -7.089 1.00 0.00 N ATOM 0 HA LYS A 13 -8.359 -1.589 -7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.540 -1.229 -9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.093 -2.192 -9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.828 -2.597 -7.498 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.281 -3.355 -9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.014 -4.447 -9.125 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.598 -3.717 -7.587 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.558 -4.918 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.841 -5.717 -8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.600 -7.172 -6.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.495 -6.519 -7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.507 -5.971 -6.303 1.00 0.00 H new ATOM 193 N TRP A 14 -6.879 -0.240 -8.103 1.00 0.00 N ATOM 194 CA TRP A 14 -5.524 0.249 -8.124 1.00 0.00 C ATOM 195 C TRP A 14 -5.209 1.174 -6.952 1.00 0.00 C ATOM 196 O TRP A 14 -4.095 1.162 -6.448 1.00 0.00 O ATOM 197 CB TRP A 14 -4.844 0.587 -9.451 1.00 0.00 C ATOM 198 CG TRP A 14 -5.100 1.927 -10.112 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.934 2.181 -11.207 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.391 3.156 -9.856 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.750 3.463 -11.622 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.809 4.103 -10.821 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.463 3.502 -8.918 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.267 5.369 -10.810 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -2.929 4.786 -8.908 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.333 5.719 -9.852 1.00 0.00 C ATOM 0 H TRP A 14 -6.936 -0.980 -7.403 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.974 -0.678 -7.962 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.769 0.502 -9.295 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -5.125 -0.186 -10.166 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.616 1.471 -11.652 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -6.234 3.895 -12.410 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -3.143 2.778 -8.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.573 6.091 -11.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.197 5.058 -8.162 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -2.919 6.716 -9.839 1.00 0.00 H new ATOM 217 N PHE A 15 -6.234 1.939 -6.526 1.00 0.00 N ATOM 218 CA PHE A 15 -6.057 2.890 -5.434 1.00 0.00 C ATOM 219 C PHE A 15 -6.919 2.535 -4.204 1.00 0.00 C ATOM 220 O PHE A 15 -7.991 3.083 -3.971 1.00 0.00 O ATOM 221 CB PHE A 15 -6.352 4.287 -5.998 1.00 0.00 C ATOM 222 CG PHE A 15 -5.715 5.379 -5.181 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.330 5.531 -5.182 1.00 0.00 C ATOM 224 CD2 PHE A 15 -6.498 6.251 -4.432 1.00 0.00 C ATOM 225 CE1 PHE A 15 -3.742 6.554 -4.445 1.00 0.00 C ATOM 226 CE2 PHE A 15 -5.910 7.273 -3.700 1.00 0.00 C ATOM 227 CZ PHE A 15 -4.531 7.428 -3.711 1.00 0.00 C ATOM 0 H PHE A 15 -7.174 1.912 -6.920 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.034 2.857 -5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.990 4.346 -7.024 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.430 4.443 -6.031 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.713 4.855 -5.755 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.571 6.132 -4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.668 6.668 -4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.525 7.947 -3.122 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.072 8.228 -3.149 1.00 0.00 H new ATOM 237 N PHE A 16 -6.345 1.588 -3.428 1.00 0.00 N ATOM 238 CA PHE A 16 -6.946 1.110 -2.184 1.00 0.00 C ATOM 239 C PHE A 16 -6.246 1.814 -1.011 1.00 0.00 C ATOM 240 O PHE A 16 -5.192 2.422 -1.168 1.00 0.00 O ATOM 241 CB PHE A 16 -6.642 -0.390 -1.948 1.00 0.00 C ATOM 242 CG PHE A 16 -7.208 -1.377 -2.933 1.00 0.00 C ATOM 243 CD1 PHE A 16 -8.262 -1.094 -3.799 1.00 0.00 C ATOM 244 CD2 PHE A 16 -6.651 -2.650 -2.950 1.00 0.00 C ATOM 245 CE1 PHE A 16 -8.743 -2.077 -4.656 1.00 0.00 C ATOM 246 CE2 PHE A 16 -7.118 -3.623 -3.816 1.00 0.00 C ATOM 247 CZ PHE A 16 -8.169 -3.339 -4.668 1.00 0.00 C ATOM 0 H PHE A 16 -5.456 1.142 -3.654 1.00 0.00 H new ATOM 0 HA PHE A 16 -8.018 1.295 -2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.559 -0.515 -1.931 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.009 -0.656 -0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.706 -0.109 -3.804 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.840 -2.884 -2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.569 -1.856 -5.316 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -6.662 -4.602 -3.826 1.00 0.00 H new ATOM 0 HZ PHE A 16 -8.542 -4.097 -5.341 1.00 0.00 H new ATOM 257 N ARG A 17 -6.898 1.661 0.164 1.00 0.00 N ATOM 258 CA ARG A 17 -6.337 2.181 1.409 1.00 0.00 C ATOM 259 C ARG A 17 -5.164 1.267 1.843 1.00 0.00 C ATOM 260 O ARG A 17 -4.537 0.608 1.022 1.00 0.00 O ATOM 261 CB ARG A 17 -7.465 2.343 2.455 1.00 0.00 C ATOM 262 CG ARG A 17 -8.090 3.737 2.379 1.00 0.00 C ATOM 263 CD ARG A 17 -9.025 4.036 3.559 1.00 0.00 C ATOM 264 NE ARG A 17 -9.475 5.427 3.553 1.00 0.00 N ATOM 265 CZ ARG A 17 -8.679 6.467 3.891 1.00 0.00 C ATOM 266 NH1 ARG A 17 -7.401 6.296 4.207 1.00 0.00 N ATOM 267 NH2 ARG A 17 -9.185 7.692 3.901 1.00 0.00 N ATOM 0 H ARG A 17 -7.796 1.189 0.265 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.915 3.178 1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.232 1.587 2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.065 2.174 3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.297 4.484 2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.648 3.830 1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.890 3.374 3.515 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.509 3.825 4.495 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.438 5.623 3.280 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.994 5.361 4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.826 7.100 4.458 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.164 7.842 3.656 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.596 8.485 4.154 1.00 0.00 H new ATOM 281 N THR A 18 -4.896 1.254 3.158 1.00 0.00 N ATOM 282 CA THR A 18 -3.814 0.460 3.705 1.00 0.00 C ATOM 283 C THR A 18 -4.294 -0.951 4.008 1.00 0.00 C ATOM 284 O THR A 18 -4.558 -1.338 5.139 1.00 0.00 O ATOM 285 CB THR A 18 -3.151 1.069 4.984 1.00 0.00 C ATOM 286 OG1 THR A 18 -2.528 0.134 5.919 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.056 2.133 5.665 1.00 0.00 C ATOM 0 H THR A 18 -5.420 1.788 3.852 1.00 0.00 H new ATOM 0 HA THR A 18 -3.044 0.449 2.934 1.00 0.00 H new ATOM 0 HB THR A 18 -2.276 1.588 4.592 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.164 -0.577 6.144 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.553 2.527 6.548 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.251 2.946 4.966 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.999 1.673 5.960 1.00 0.00 H new ATOM 295 N ILE A 19 -4.390 -1.689 2.890 1.00 0.00 N ATOM 296 CA ILE A 19 -4.715 -3.107 2.968 1.00 0.00 C ATOM 297 C ILE A 19 -3.434 -3.735 3.531 1.00 0.00 C ATOM 298 O ILE A 19 -2.409 -3.059 3.555 1.00 0.00 O ATOM 299 CB ILE A 19 -5.014 -3.618 1.544 1.00 0.00 C ATOM 300 CG1 ILE A 19 -5.939 -4.829 1.527 1.00 0.00 C ATOM 301 CG2 ILE A 19 -3.780 -3.853 0.665 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.257 -5.305 0.098 1.00 0.00 C ATOM 0 H ILE A 19 -4.249 -1.330 1.946 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.585 -3.341 3.582 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.544 -2.783 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.476 -5.644 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.868 -4.580 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.094 -4.211 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.231 -2.918 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.136 -4.597 1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.919 -6.170 0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.745 -4.501 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.332 -5.582 -0.408 1.00 0.00 H new ATOM 314 N SER A 20 -3.469 -5.001 3.988 1.00 0.00 N ATOM 315 CA SER A 20 -2.154 -5.466 4.467 1.00 0.00 C ATOM 316 C SER A 20 -1.252 -5.654 3.245 1.00 0.00 C ATOM 317 O SER A 20 -1.709 -5.827 2.121 1.00 0.00 O ATOM 318 CB SER A 20 -2.121 -6.819 5.235 1.00 0.00 C ATOM 319 OG SER A 20 -0.808 -7.404 5.649 1.00 0.00 O ATOM 0 H SER A 20 -4.263 -5.639 4.037 1.00 0.00 H new ATOM 0 HA SER A 20 -1.837 -4.702 5.177 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.722 -6.697 6.136 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.626 -7.559 4.614 1.00 0.00 H new ATOM 0 HG SER A 20 -0.961 -8.250 6.120 1.00 0.00 H new ATOM 325 N ARG A 21 0.056 -5.620 3.532 1.00 0.00 N ATOM 326 CA ARG A 21 0.989 -5.780 2.435 1.00 0.00 C ATOM 327 C ARG A 21 0.794 -7.124 1.694 1.00 0.00 C ATOM 328 O ARG A 21 0.910 -7.151 0.476 1.00 0.00 O ATOM 329 CB ARG A 21 2.418 -5.493 2.904 1.00 0.00 C ATOM 330 CG ARG A 21 3.333 -5.135 1.722 1.00 0.00 C ATOM 331 CD ARG A 21 4.456 -4.163 2.092 1.00 0.00 C ATOM 332 NE ARG A 21 5.409 -4.800 2.995 1.00 0.00 N ATOM 333 CZ ARG A 21 5.624 -4.439 4.280 1.00 0.00 C ATOM 334 NH1 ARG A 21 4.922 -3.475 4.864 1.00 0.00 N ATOM 335 NH2 ARG A 21 6.559 -5.069 4.979 1.00 0.00 N ATOM 0 H ARG A 21 0.464 -5.491 4.458 1.00 0.00 H new ATOM 0 HA ARG A 21 0.775 -5.033 1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.410 -4.672 3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.815 -6.366 3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.772 -6.049 1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.731 -4.696 0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.968 -3.830 1.189 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.035 -3.276 2.565 1.00 0.00 H new ATOM 0 HE ARG A 21 5.956 -5.579 2.628 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.197 -2.984 4.341 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.108 -3.226 5.835 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.104 -5.814 4.546 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.733 -4.808 5.950 1.00 0.00 H new ATOM 349 N LYS A 22 0.442 -8.215 2.435 1.00 0.00 N ATOM 350 CA LYS A 22 0.240 -9.468 1.719 1.00 0.00 C ATOM 351 C LYS A 22 -1.147 -9.581 1.096 1.00 0.00 C ATOM 352 O LYS A 22 -1.408 -10.470 0.299 1.00 0.00 O ATOM 353 CB LYS A 22 0.478 -10.685 2.609 1.00 0.00 C ATOM 354 CG LYS A 22 -0.706 -11.262 3.384 1.00 0.00 C ATOM 355 CD LYS A 22 -1.445 -10.295 4.289 1.00 0.00 C ATOM 356 CE LYS A 22 -2.908 -10.704 4.466 1.00 0.00 C ATOM 357 NZ LYS A 22 -3.095 -12.053 4.992 1.00 0.00 N ATOM 0 H LYS A 22 0.306 -8.240 3.446 1.00 0.00 H new ATOM 0 HA LYS A 22 0.980 -9.454 0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.884 -11.480 1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.251 -10.422 3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.417 -11.674 2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.347 -12.093 3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.955 -10.259 5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.395 -9.290 3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.393 -9.995 5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.413 -10.629 3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.105 -12.216 5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.754 -12.747 4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.559 -12.158 5.877 1.00 0.00 H new ATOM 371 N ASP A 23 -2.032 -8.658 1.531 1.00 0.00 N ATOM 372 CA ASP A 23 -3.389 -8.716 1.029 1.00 0.00 C ATOM 373 C ASP A 23 -3.414 -8.306 -0.438 1.00 0.00 C ATOM 374 O ASP A 23 -4.046 -8.910 -1.290 1.00 0.00 O ATOM 375 CB ASP A 23 -4.351 -7.780 1.790 1.00 0.00 C ATOM 376 CG ASP A 23 -4.990 -8.382 3.052 1.00 0.00 C ATOM 377 OD1 ASP A 23 -5.452 -9.521 3.001 1.00 0.00 O ATOM 378 OD2 ASP A 23 -5.054 -7.694 4.069 1.00 0.00 O ATOM 0 H ASP A 23 -1.832 -7.908 2.193 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.723 -9.744 1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.807 -6.879 2.072 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.146 -7.473 1.111 1.00 0.00 H new ATOM 383 N ALA A 24 -2.666 -7.226 -0.653 1.00 0.00 N ATOM 384 CA ALA A 24 -2.515 -6.653 -1.977 1.00 0.00 C ATOM 385 C ALA A 24 -1.860 -7.665 -2.937 1.00 0.00 C ATOM 386 O ALA A 24 -2.139 -7.708 -4.130 1.00 0.00 O ATOM 387 CB ALA A 24 -1.693 -5.390 -1.796 1.00 0.00 C ATOM 0 H ALA A 24 -2.156 -6.733 0.079 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.475 -6.409 -2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.545 -4.911 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.218 -4.706 -1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.725 -5.645 -1.365 1.00 0.00 H new ATOM 393 N GLU A 25 -1.000 -8.489 -2.299 1.00 0.00 N ATOM 394 CA GLU A 25 -0.296 -9.546 -2.993 1.00 0.00 C ATOM 395 C GLU A 25 -1.260 -10.712 -3.264 1.00 0.00 C ATOM 396 O GLU A 25 -1.153 -11.369 -4.285 1.00 0.00 O ATOM 397 CB GLU A 25 0.885 -10.067 -2.151 1.00 0.00 C ATOM 398 CG GLU A 25 2.012 -9.045 -1.930 1.00 0.00 C ATOM 399 CD GLU A 25 3.099 -9.594 -0.986 1.00 0.00 C ATOM 400 OE1 GLU A 25 3.730 -10.593 -1.333 1.00 0.00 O ATOM 401 OE2 GLU A 25 3.317 -9.013 0.077 1.00 0.00 O ATOM 0 H GLU A 25 -0.789 -8.428 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 25 0.087 -9.142 -3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.508 -10.389 -1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.302 -10.948 -2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.460 -8.784 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.596 -8.128 -1.512 1.00 0.00 H new ATOM 408 N ARG A 26 -2.226 -10.923 -2.339 1.00 0.00 N ATOM 409 CA ARG A 26 -3.153 -12.045 -2.500 1.00 0.00 C ATOM 410 C ARG A 26 -4.018 -11.855 -3.751 1.00 0.00 C ATOM 411 O ARG A 26 -4.370 -12.798 -4.450 1.00 0.00 O ATOM 412 CB ARG A 26 -4.019 -12.237 -1.232 1.00 0.00 C ATOM 413 CG ARG A 26 -5.378 -11.498 -1.132 1.00 0.00 C ATOM 414 CD ARG A 26 -5.714 -10.989 0.278 1.00 0.00 C ATOM 415 NE ARG A 26 -7.084 -11.297 0.656 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.135 -10.612 0.166 1.00 0.00 C ATOM 417 NH1 ARG A 26 -7.963 -9.660 -0.744 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.354 -10.897 0.604 1.00 0.00 N ATOM 0 H ARG A 26 -2.374 -10.351 -1.508 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.569 -12.956 -2.635 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.216 -13.304 -1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.417 -11.937 -0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.371 -10.652 -1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.170 -12.170 -1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.030 -11.438 0.998 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.560 -9.911 0.321 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.255 -12.057 1.314 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.026 -9.440 -1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.768 -9.149 -1.106 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.487 -11.627 1.304 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.159 -10.386 0.241 1.00 0.00 H new ATOM 432 N GLN A 27 -4.297 -10.553 -3.975 1.00 0.00 N ATOM 433 CA GLN A 27 -5.122 -10.158 -5.108 1.00 0.00 C ATOM 434 C GLN A 27 -4.378 -10.276 -6.446 1.00 0.00 C ATOM 435 O GLN A 27 -4.934 -10.755 -7.425 1.00 0.00 O ATOM 436 CB GLN A 27 -5.644 -8.722 -4.940 1.00 0.00 C ATOM 437 CG GLN A 27 -6.470 -8.506 -3.660 1.00 0.00 C ATOM 438 CD GLN A 27 -7.333 -7.231 -3.756 1.00 0.00 C ATOM 439 OE1 GLN A 27 -7.604 -6.711 -4.831 1.00 0.00 O ATOM 440 NE2 GLN A 27 -7.751 -6.759 -2.571 1.00 0.00 N ATOM 0 H GLN A 27 -3.966 -9.783 -3.394 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.963 -10.851 -5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.797 -8.036 -4.934 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.257 -8.465 -5.804 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.112 -9.370 -3.489 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.802 -8.431 -2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.490 -7.239 -1.710 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.330 -5.920 -2.532 1.00 0.00 H new ATOM 449 N LEU A 28 -3.100 -9.830 -6.449 1.00 0.00 N ATOM 450 CA LEU A 28 -2.351 -9.866 -7.706 1.00 0.00 C ATOM 451 C LEU A 28 -1.874 -11.274 -8.071 1.00 0.00 C ATOM 452 O LEU A 28 -1.823 -11.609 -9.243 1.00 0.00 O ATOM 453 CB LEU A 28 -1.285 -8.773 -7.711 1.00 0.00 C ATOM 454 CG LEU A 28 -1.955 -7.414 -7.548 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.882 -6.367 -7.330 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.790 -7.087 -8.787 1.00 0.00 C ATOM 0 H LEU A 28 -2.597 -9.463 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.019 -9.626 -8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.573 -8.940 -6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.721 -8.804 -8.643 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.625 -7.429 -6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.347 -5.388 -7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.314 -6.610 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.212 -6.349 -8.189 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.264 -6.114 -8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.145 -7.064 -9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.557 -7.850 -8.920 1.00 0.00 H new ATOM 468 N LEU A 29 -1.584 -12.084 -7.031 1.00 0.00 N ATOM 469 CA LEU A 29 -1.170 -13.467 -7.242 1.00 0.00 C ATOM 470 C LEU A 29 -2.381 -14.311 -7.718 1.00 0.00 C ATOM 471 O LEU A 29 -2.218 -15.399 -8.253 1.00 0.00 O ATOM 472 CB LEU A 29 -0.634 -14.035 -5.922 1.00 0.00 C ATOM 473 CG LEU A 29 0.667 -13.368 -5.445 1.00 0.00 C ATOM 474 CD1 LEU A 29 0.871 -13.616 -3.951 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.875 -13.864 -6.245 1.00 0.00 C ATOM 0 H LEU A 29 -1.631 -11.799 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.391 -13.503 -8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.395 -13.919 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.461 -15.105 -6.041 1.00 0.00 H new ATOM 0 HG LEU A 29 0.578 -12.295 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.795 -13.139 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.032 -13.198 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.932 -14.688 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.778 -13.373 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.974 -14.943 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.733 -13.630 -7.300 1.00 0.00 H new ATOM 487 N ALA A 30 -3.595 -13.749 -7.491 1.00 0.00 N ATOM 488 CA ALA A 30 -4.831 -14.410 -7.891 1.00 0.00 C ATOM 489 C ALA A 30 -4.865 -14.602 -9.422 1.00 0.00 C ATOM 490 O ALA A 30 -4.277 -13.836 -10.177 1.00 0.00 O ATOM 491 CB ALA A 30 -6.032 -13.542 -7.483 1.00 0.00 C ATOM 0 H ALA A 30 -3.728 -12.846 -7.036 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.879 -15.382 -7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.956 -14.036 -7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.029 -13.402 -6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.964 -12.572 -7.975 1.00 0.00 H new ATOM 497 N PRO A 31 -5.602 -15.665 -9.851 1.00 0.00 N ATOM 498 CA PRO A 31 -5.766 -15.986 -11.269 1.00 0.00 C ATOM 499 C PRO A 31 -6.627 -14.979 -12.064 1.00 0.00 C ATOM 500 O PRO A 31 -6.889 -15.172 -13.245 1.00 0.00 O ATOM 501 CB PRO A 31 -6.405 -17.382 -11.267 1.00 0.00 C ATOM 502 CG PRO A 31 -7.078 -17.492 -9.900 1.00 0.00 C ATOM 503 CD PRO A 31 -6.224 -16.649 -8.972 1.00 0.00 C ATOM 0 HA PRO A 31 -4.803 -15.943 -11.779 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.128 -17.489 -12.075 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.656 -18.162 -11.405 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.104 -17.125 -9.935 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.121 -18.528 -9.564 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.828 -16.169 -8.202 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.476 -17.254 -8.460 1.00 0.00 H new ATOM 511 N MET A 32 -7.047 -13.904 -11.356 1.00 0.00 N ATOM 512 CA MET A 32 -7.849 -12.836 -11.908 1.00 0.00 C ATOM 513 C MET A 32 -7.156 -12.166 -13.116 1.00 0.00 C ATOM 514 O MET A 32 -7.763 -11.942 -14.155 1.00 0.00 O ATOM 515 CB MET A 32 -8.069 -11.846 -10.763 1.00 0.00 C ATOM 516 CG MET A 32 -9.005 -12.361 -9.660 1.00 0.00 C ATOM 517 SD MET A 32 -9.633 -11.016 -8.628 1.00 0.00 S ATOM 518 CE MET A 32 -8.161 -10.658 -7.652 1.00 0.00 C ATOM 0 H MET A 32 -6.823 -13.772 -10.370 1.00 0.00 H new ATOM 0 HA MET A 32 -8.797 -13.213 -12.293 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.104 -11.599 -10.320 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.479 -10.922 -11.170 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.842 -12.893 -10.113 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.471 -13.078 -9.037 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.286 -9.702 -7.143 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.014 -11.446 -6.914 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.292 -10.609 -8.308 1.00 0.00 H new ATOM 528 N ASN A 33 -5.851 -11.884 -12.896 1.00 0.00 N ATOM 529 CA ASN A 33 -4.996 -11.248 -13.900 1.00 0.00 C ATOM 530 C ASN A 33 -3.542 -11.730 -13.733 1.00 0.00 C ATOM 531 O ASN A 33 -3.230 -12.575 -12.905 1.00 0.00 O ATOM 532 CB ASN A 33 -5.075 -9.712 -13.780 1.00 0.00 C ATOM 533 CG ASN A 33 -6.394 -9.155 -14.330 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.882 -9.548 -15.380 1.00 0.00 O ATOM 535 ND2 ASN A 33 -6.916 -8.184 -13.577 1.00 0.00 N ATOM 0 H ASN A 33 -5.372 -12.093 -12.020 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.347 -11.531 -14.892 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.970 -9.425 -12.734 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.240 -9.264 -14.319 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.776 -7.720 -13.868 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.454 -7.906 -12.711 1.00 0.00 H new ATOM 542 N LYS A 34 -2.698 -11.122 -14.590 1.00 0.00 N ATOM 543 CA LYS A 34 -1.265 -11.383 -14.668 1.00 0.00 C ATOM 544 C LYS A 34 -0.470 -10.072 -14.554 1.00 0.00 C ATOM 545 O LYS A 34 -1.037 -8.989 -14.489 1.00 0.00 O ATOM 546 CB LYS A 34 -0.978 -12.063 -16.018 1.00 0.00 C ATOM 547 CG LYS A 34 -1.724 -11.452 -17.220 1.00 0.00 C ATOM 548 CD LYS A 34 -1.527 -9.940 -17.425 1.00 0.00 C ATOM 549 CE LYS A 34 -2.088 -9.450 -18.759 1.00 0.00 C ATOM 550 NZ LYS A 34 -1.808 -8.036 -18.987 1.00 0.00 N ATOM 0 H LYS A 34 -3.012 -10.420 -15.260 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.959 -12.030 -13.846 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.094 -12.017 -16.212 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.243 -13.118 -15.941 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.403 -11.968 -18.125 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.790 -11.649 -17.102 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.012 -9.401 -16.611 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.464 -9.706 -17.374 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.660 -10.039 -19.570 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.165 -9.614 -18.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.346 -7.704 -19.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.088 -7.487 -18.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.791 -7.907 -19.162 1.00 0.00 H new ATOM 564 N ALA A 35 0.874 -10.253 -14.559 1.00 0.00 N ATOM 565 CA ALA A 35 1.889 -9.211 -14.503 1.00 0.00 C ATOM 566 C ALA A 35 1.417 -7.912 -15.155 1.00 0.00 C ATOM 567 O ALA A 35 1.059 -7.841 -16.325 1.00 0.00 O ATOM 568 CB ALA A 35 3.167 -9.701 -15.194 1.00 0.00 C ATOM 0 H ALA A 35 1.285 -11.186 -14.605 1.00 0.00 H new ATOM 0 HA ALA A 35 2.087 -8.998 -13.452 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.926 -8.920 -15.151 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.535 -10.593 -14.687 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.949 -9.939 -16.235 1.00 0.00 H new ATOM 574 N GLY A 36 1.450 -6.908 -14.271 1.00 0.00 N ATOM 575 CA GLY A 36 1.028 -5.577 -14.614 1.00 0.00 C ATOM 576 C GLY A 36 -0.354 -5.261 -14.005 1.00 0.00 C ATOM 577 O GLY A 36 -0.852 -4.168 -14.133 1.00 0.00 O ATOM 0 H GLY A 36 1.770 -7.011 -13.308 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.761 -4.855 -14.255 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.984 -5.474 -15.698 1.00 0.00 H new ATOM 581 N SER A 37 -1.003 -6.258 -13.369 1.00 0.00 N ATOM 582 CA SER A 37 -2.228 -6.009 -12.602 1.00 0.00 C ATOM 583 C SER A 37 -1.703 -5.306 -11.321 1.00 0.00 C ATOM 584 O SER A 37 -0.622 -5.678 -10.864 1.00 0.00 O ATOM 585 CB SER A 37 -3.043 -7.309 -12.357 1.00 0.00 C ATOM 586 OG SER A 37 -2.353 -8.617 -12.243 1.00 0.00 O ATOM 0 H SER A 37 -0.698 -7.231 -13.374 1.00 0.00 H new ATOM 0 HA SER A 37 -2.958 -5.386 -13.119 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.613 -7.164 -11.439 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.764 -7.395 -13.170 1.00 0.00 H new ATOM 0 HG SER A 37 -1.956 -8.854 -13.107 1.00 0.00 H new ATOM 592 N PHE A 38 -2.469 -4.309 -10.777 1.00 0.00 N ATOM 593 CA PHE A 38 -1.895 -3.575 -9.629 1.00 0.00 C ATOM 594 C PHE A 38 -2.861 -3.495 -8.421 1.00 0.00 C ATOM 595 O PHE A 38 -4.013 -3.902 -8.407 1.00 0.00 O ATOM 596 CB PHE A 38 -1.776 -2.031 -9.893 1.00 0.00 C ATOM 597 CG PHE A 38 -1.597 -1.582 -11.292 1.00 0.00 C ATOM 598 CD1 PHE A 38 -0.614 -2.102 -12.088 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.463 -0.617 -11.804 1.00 0.00 C ATOM 600 CE1 PHE A 38 -0.525 -1.658 -13.385 1.00 0.00 C ATOM 601 CE2 PHE A 38 -2.375 -0.180 -13.106 1.00 0.00 C ATOM 602 CZ PHE A 38 -1.390 -0.712 -13.901 1.00 0.00 C ATOM 0 H PHE A 38 -3.398 -4.022 -11.086 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.961 -4.112 -9.465 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.674 -1.554 -9.500 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.935 -1.655 -9.310 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.074 -2.842 -11.707 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.224 -0.201 -11.161 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.247 -2.062 -14.023 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.061 0.560 -13.491 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.291 -0.392 -14.928 1.00 0.00 H new ATOM 612 N LEU A 39 -2.201 -2.784 -7.477 1.00 0.00 N ATOM 613 CA LEU A 39 -2.496 -2.278 -6.153 1.00 0.00 C ATOM 614 C LEU A 39 -1.560 -1.075 -5.934 1.00 0.00 C ATOM 615 O LEU A 39 -0.514 -1.006 -6.559 1.00 0.00 O ATOM 616 CB LEU A 39 -2.055 -3.304 -5.106 1.00 0.00 C ATOM 617 CG LEU A 39 -3.072 -4.341 -4.657 1.00 0.00 C ATOM 618 CD1 LEU A 39 -3.727 -3.711 -3.441 1.00 0.00 C ATOM 619 CD2 LEU A 39 -4.138 -4.794 -5.645 1.00 0.00 C ATOM 0 H LEU A 39 -1.246 -2.507 -7.704 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.558 -2.048 -6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.188 -3.834 -5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.720 -2.759 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.532 -5.273 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.482 -4.389 -3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.972 -3.520 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.199 -2.771 -3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.783 -5.534 -5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.736 -3.936 -5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.660 -5.236 -6.519 1.00 0.00 H new ATOM 631 N ILE A 40 -1.963 -0.149 -5.031 1.00 0.00 N ATOM 632 CA ILE A 40 -1.016 0.934 -4.745 1.00 0.00 C ATOM 633 C ILE A 40 -1.520 1.367 -3.323 1.00 0.00 C ATOM 634 O ILE A 40 -1.971 2.472 -3.065 1.00 0.00 O ATOM 635 CB ILE A 40 -1.018 1.984 -5.912 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.347 2.651 -6.143 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.899 3.180 -5.607 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.532 3.116 -7.611 1.00 0.00 C ATOM 0 H ILE A 40 -2.853 -0.129 -4.533 1.00 0.00 H new ATOM 0 HA ILE A 40 0.049 0.707 -4.709 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.349 1.390 -6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.448 3.508 -5.477 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.140 1.950 -5.883 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.867 3.878 -6.444 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.925 2.846 -5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.539 3.677 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.511 3.581 -7.725 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.459 2.256 -8.277 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.244 3.838 -7.864 1.00 0.00 H new ATOM 650 N ARG A 41 -1.447 0.361 -2.419 1.00 0.00 N ATOM 651 CA ARG A 41 -1.945 0.457 -1.045 1.00 0.00 C ATOM 652 C ARG A 41 -1.097 1.409 -0.171 1.00 0.00 C ATOM 653 O ARG A 41 0.119 1.299 -0.102 1.00 0.00 O ATOM 654 CB ARG A 41 -2.035 -0.982 -0.495 1.00 0.00 C ATOM 655 CG ARG A 41 -0.697 -1.599 -0.045 1.00 0.00 C ATOM 656 CD ARG A 41 -0.526 -1.514 1.478 1.00 0.00 C ATOM 657 NE ARG A 41 0.861 -1.318 1.862 1.00 0.00 N ATOM 658 CZ ARG A 41 1.221 -1.173 3.152 1.00 0.00 C ATOM 659 NH1 ARG A 41 0.348 -1.374 4.135 1.00 0.00 N ATOM 660 NH2 ARG A 41 2.464 -0.805 3.431 1.00 0.00 N ATOM 0 H ARG A 41 -1.034 -0.546 -2.636 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.935 0.913 -1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.722 -0.988 0.351 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.471 -1.621 -1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.651 -2.641 -0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.127 -1.081 -0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.128 -0.692 1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.903 -2.428 1.936 1.00 0.00 H new ATOM 0 HE ARG A 41 1.579 -1.289 1.138 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.612 -1.643 3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.638 -1.260 5.106 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.128 -0.637 2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.756 -0.690 4.401 1.00 0.00 H new ATOM 674 N GLU A 42 -1.822 2.334 0.511 1.00 0.00 N ATOM 675 CA GLU A 42 -1.168 3.334 1.367 1.00 0.00 C ATOM 676 C GLU A 42 -0.322 2.706 2.478 1.00 0.00 C ATOM 677 O GLU A 42 -0.579 1.589 2.915 1.00 0.00 O ATOM 678 CB GLU A 42 -2.178 4.338 1.970 1.00 0.00 C ATOM 679 CG GLU A 42 -2.797 3.969 3.317 1.00 0.00 C ATOM 680 CD GLU A 42 -3.899 4.982 3.686 1.00 0.00 C ATOM 681 OE1 GLU A 42 -3.582 6.003 4.292 1.00 0.00 O ATOM 682 OE2 GLU A 42 -5.064 4.731 3.375 1.00 0.00 O ATOM 0 H GLU A 42 -2.839 2.401 0.481 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.493 3.880 0.708 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.677 5.300 2.079 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.986 4.479 1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.216 2.964 3.271 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.028 3.958 4.089 1.00 0.00 H new ATOM 689 N SER A 43 0.716 3.476 2.884 1.00 0.00 N ATOM 690 CA SER A 43 1.507 2.990 4.010 1.00 0.00 C ATOM 691 C SER A 43 0.799 3.548 5.256 1.00 0.00 C ATOM 692 O SER A 43 0.308 4.668 5.264 1.00 0.00 O ATOM 693 CB SER A 43 2.970 3.523 4.036 1.00 0.00 C ATOM 694 OG SER A 43 3.702 3.551 5.332 1.00 0.00 O ATOM 0 H SER A 43 1.001 4.367 2.478 1.00 0.00 H new ATOM 0 HA SER A 43 1.573 1.904 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.553 2.919 3.341 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.958 4.539 3.642 1.00 0.00 H new ATOM 0 HG SER A 43 4.604 3.907 5.191 1.00 0.00 H new ATOM 700 N GLU A 44 0.753 2.710 6.293 1.00 0.00 N ATOM 701 CA GLU A 44 0.081 3.100 7.530 1.00 0.00 C ATOM 702 C GLU A 44 1.081 3.565 8.612 1.00 0.00 C ATOM 703 O GLU A 44 0.981 3.229 9.786 1.00 0.00 O ATOM 704 CB GLU A 44 -0.804 1.924 7.923 1.00 0.00 C ATOM 705 CG GLU A 44 -0.081 0.561 7.873 1.00 0.00 C ATOM 706 CD GLU A 44 -0.944 -0.608 8.381 1.00 0.00 C ATOM 707 OE1 GLU A 44 -1.491 -0.511 9.479 1.00 0.00 O ATOM 708 OE2 GLU A 44 -1.050 -1.612 7.676 1.00 0.00 O ATOM 0 H GLU A 44 1.164 1.777 6.302 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.547 3.981 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.184 2.087 8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.667 1.892 7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.225 0.358 6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.828 0.618 8.471 1.00 0.00 H new ATOM 715 N SER A 45 2.043 4.372 8.118 1.00 0.00 N ATOM 716 CA SER A 45 3.123 4.935 8.922 1.00 0.00 C ATOM 717 C SER A 45 3.889 5.998 8.112 1.00 0.00 C ATOM 718 O SER A 45 5.043 6.304 8.392 1.00 0.00 O ATOM 719 CB SER A 45 4.137 3.777 9.106 1.00 0.00 C ATOM 720 OG SER A 45 4.751 3.212 7.871 1.00 0.00 O ATOM 0 H SER A 45 2.083 4.648 7.137 1.00 0.00 H new ATOM 0 HA SER A 45 2.727 5.361 9.844 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.940 4.130 9.753 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.634 2.967 9.635 1.00 0.00 H new ATOM 0 HG SER A 45 4.199 3.445 7.095 1.00 0.00 H new ATOM 726 N ASN A 46 3.191 6.526 7.087 1.00 0.00 N ATOM 727 CA ASN A 46 3.794 7.467 6.157 1.00 0.00 C ATOM 728 C ASN A 46 3.329 8.928 6.253 1.00 0.00 C ATOM 729 O ASN A 46 2.509 9.351 7.058 1.00 0.00 O ATOM 730 CB ASN A 46 3.423 6.960 4.756 1.00 0.00 C ATOM 731 CG ASN A 46 1.902 6.865 4.445 1.00 0.00 C ATOM 732 OD1 ASN A 46 1.523 6.289 3.445 1.00 0.00 O ATOM 733 ND2 ASN A 46 1.037 7.442 5.295 1.00 0.00 N ATOM 0 H ASN A 46 2.213 6.310 6.893 1.00 0.00 H new ATOM 0 HA ASN A 46 4.858 7.496 6.390 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.884 7.618 4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.864 5.972 4.620 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.035 7.403 5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.382 7.919 6.128 1.00 0.00 H new ATOM 740 N LYS A 47 3.976 9.615 5.291 1.00 0.00 N ATOM 741 CA LYS A 47 3.849 11.005 4.908 1.00 0.00 C ATOM 742 C LYS A 47 2.985 11.197 3.653 1.00 0.00 C ATOM 743 O LYS A 47 3.124 12.177 2.933 1.00 0.00 O ATOM 744 CB LYS A 47 5.240 11.644 4.808 1.00 0.00 C ATOM 745 CG LYS A 47 6.253 10.689 4.194 1.00 0.00 C ATOM 746 CD LYS A 47 7.043 9.919 5.267 1.00 0.00 C ATOM 747 CE LYS A 47 7.302 8.478 4.843 1.00 0.00 C ATOM 748 NZ LYS A 47 7.852 7.659 5.924 1.00 0.00 N ATOM 0 H LYS A 47 4.671 9.145 4.711 1.00 0.00 H new ATOM 0 HA LYS A 47 3.303 11.534 5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.182 12.550 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.576 11.942 5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.737 9.981 3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.946 11.250 3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.993 10.421 5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.489 9.929 6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.370 8.033 4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.993 8.471 4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.008 6.690 5.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.756 8.064 6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.183 7.640 6.720 1.00 0.00 H new ATOM 762 N GLY A 48 2.089 10.211 3.461 1.00 0.00 N ATOM 763 CA GLY A 48 1.207 10.162 2.306 1.00 0.00 C ATOM 764 C GLY A 48 1.778 9.204 1.254 1.00 0.00 C ATOM 765 O GLY A 48 1.490 9.306 0.067 1.00 0.00 O ATOM 0 H GLY A 48 1.965 9.432 4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.214 9.832 2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.095 11.159 1.880 1.00 0.00 H new ATOM 769 N ALA A 49 2.595 8.255 1.775 1.00 0.00 N ATOM 770 CA ALA A 49 3.237 7.270 0.891 1.00 0.00 C ATOM 771 C ALA A 49 2.261 6.131 0.501 1.00 0.00 C ATOM 772 O ALA A 49 1.136 6.041 0.973 1.00 0.00 O ATOM 773 CB ALA A 49 4.518 6.702 1.531 1.00 0.00 C ATOM 0 H ALA A 49 2.815 8.157 2.766 1.00 0.00 H new ATOM 0 HA ALA A 49 3.518 7.790 -0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.971 5.977 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.222 7.513 1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.268 6.214 2.473 1.00 0.00 H new ATOM 779 N PHE A 50 2.757 5.276 -0.416 1.00 0.00 N ATOM 780 CA PHE A 50 1.948 4.181 -0.955 1.00 0.00 C ATOM 781 C PHE A 50 2.854 2.946 -1.222 1.00 0.00 C ATOM 782 O PHE A 50 4.055 2.996 -0.994 1.00 0.00 O ATOM 783 CB PHE A 50 1.193 4.742 -2.186 1.00 0.00 C ATOM 784 CG PHE A 50 0.034 5.638 -1.814 1.00 0.00 C ATOM 785 CD1 PHE A 50 -1.226 5.116 -1.548 1.00 0.00 C ATOM 786 CD2 PHE A 50 0.206 7.014 -1.721 1.00 0.00 C ATOM 787 CE1 PHE A 50 -2.292 5.939 -1.209 1.00 0.00 C ATOM 788 CE2 PHE A 50 -0.852 7.844 -1.374 1.00 0.00 C ATOM 789 CZ PHE A 50 -2.105 7.310 -1.123 1.00 0.00 C ATOM 0 H PHE A 50 3.704 5.327 -0.791 1.00 0.00 H new ATOM 0 HA PHE A 50 1.194 3.814 -0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.891 5.301 -2.809 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.824 3.911 -2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.379 4.049 -1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.176 7.444 -1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.264 5.512 -1.013 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.697 8.910 -1.300 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.930 7.957 -0.862 1.00 0.00 H new ATOM 799 N SER A 51 2.218 1.840 -1.702 1.00 0.00 N ATOM 800 CA SER A 51 2.941 0.586 -1.979 1.00 0.00 C ATOM 801 C SER A 51 2.327 -0.144 -3.199 1.00 0.00 C ATOM 802 O SER A 51 1.324 -0.844 -3.100 1.00 0.00 O ATOM 803 CB SER A 51 2.945 -0.352 -0.731 1.00 0.00 C ATOM 804 OG SER A 51 2.904 0.273 0.613 1.00 0.00 O ATOM 0 H SER A 51 1.218 1.801 -1.900 1.00 0.00 H new ATOM 0 HA SER A 51 3.974 0.844 -2.212 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.088 -1.021 -0.814 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.840 -0.972 -0.783 1.00 0.00 H new ATOM 0 HG SER A 51 2.044 0.727 0.736 1.00 0.00 H new ATOM 810 N LEU A 52 3.015 0.052 -4.344 1.00 0.00 N ATOM 811 CA LEU A 52 2.600 -0.533 -5.617 1.00 0.00 C ATOM 812 C LEU A 52 3.021 -1.995 -5.731 1.00 0.00 C ATOM 813 O LEU A 52 4.185 -2.334 -5.901 1.00 0.00 O ATOM 814 CB LEU A 52 3.267 0.277 -6.754 1.00 0.00 C ATOM 815 CG LEU A 52 3.078 -0.197 -8.207 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.599 -0.369 -8.545 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.733 0.806 -9.171 1.00 0.00 C ATOM 0 H LEU A 52 3.863 0.615 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 52 1.513 -0.495 -5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.900 1.301 -6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.338 0.309 -6.553 1.00 0.00 H new ATOM 0 HG LEU A 52 3.560 -1.169 -8.316 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.498 -0.704 -9.577 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.157 -1.109 -7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.084 0.584 -8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.597 0.466 -10.198 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.269 1.785 -9.048 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.798 0.879 -8.952 1.00 0.00 H new ATOM 829 N SER A 53 1.965 -2.823 -5.641 1.00 0.00 N ATOM 830 CA SER A 53 2.104 -4.256 -5.764 1.00 0.00 C ATOM 831 C SER A 53 1.723 -4.573 -7.204 1.00 0.00 C ATOM 832 O SER A 53 0.724 -4.082 -7.706 1.00 0.00 O ATOM 833 CB SER A 53 1.249 -4.956 -4.661 1.00 0.00 C ATOM 834 OG SER A 53 1.083 -4.285 -3.345 1.00 0.00 O ATOM 0 H SER A 53 1.008 -2.507 -5.483 1.00 0.00 H new ATOM 0 HA SER A 53 3.112 -4.634 -5.590 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.254 -5.124 -5.073 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.688 -5.937 -4.477 1.00 0.00 H new ATOM 0 HG SER A 53 0.971 -4.961 -2.645 1.00 0.00 H new ATOM 840 N VAL A 54 2.610 -5.355 -7.843 1.00 0.00 N ATOM 841 CA VAL A 54 2.416 -5.756 -9.245 1.00 0.00 C ATOM 842 C VAL A 54 2.781 -7.239 -9.304 1.00 0.00 C ATOM 843 O VAL A 54 3.688 -7.619 -8.584 1.00 0.00 O ATOM 844 CB VAL A 54 3.348 -4.948 -10.173 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.036 -5.217 -11.650 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.266 -3.443 -9.891 1.00 0.00 C ATOM 0 H VAL A 54 3.461 -5.719 -7.414 1.00 0.00 H new ATOM 0 HA VAL A 54 1.393 -5.573 -9.574 1.00 0.00 H new ATOM 0 HB VAL A 54 4.364 -5.282 -9.963 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.710 -4.633 -12.277 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.170 -6.277 -11.863 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.005 -4.932 -11.862 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.937 -2.910 -10.565 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.244 -3.098 -10.048 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.559 -3.250 -8.859 1.00 0.00 H new ATOM 856 N LYS A 55 2.128 -8.063 -10.163 1.00 0.00 N ATOM 857 CA LYS A 55 2.521 -9.485 -10.124 1.00 0.00 C ATOM 858 C LYS A 55 3.831 -9.771 -10.900 1.00 0.00 C ATOM 859 O LYS A 55 3.813 -9.775 -12.124 1.00 0.00 O ATOM 860 CB LYS A 55 1.416 -10.364 -10.731 1.00 0.00 C ATOM 861 CG LYS A 55 1.684 -11.881 -10.654 1.00 0.00 C ATOM 862 CD LYS A 55 0.897 -12.682 -11.700 1.00 0.00 C ATOM 863 CE LYS A 55 -0.530 -13.041 -11.281 1.00 0.00 C ATOM 864 NZ LYS A 55 -1.106 -14.150 -12.038 1.00 0.00 N ATOM 0 H LYS A 55 1.399 -7.801 -10.827 1.00 0.00 H new ATOM 0 HA LYS A 55 2.680 -9.721 -9.072 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.477 -10.148 -10.220 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.282 -10.085 -11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.750 -12.064 -10.791 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.424 -12.240 -9.658 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.857 -12.107 -12.625 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.440 -13.601 -11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.534 -13.296 -10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.165 -12.163 -11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.999 -13.845 -12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.441 -14.446 -12.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.289 -14.949 -11.398 1.00 0.00 H new ATOM 878 N ASP A 56 4.956 -10.033 -10.177 1.00 0.00 N ATOM 879 CA ASP A 56 6.154 -10.379 -10.955 1.00 0.00 C ATOM 880 C ASP A 56 6.048 -11.865 -11.368 1.00 0.00 C ATOM 881 O ASP A 56 5.697 -12.737 -10.587 1.00 0.00 O ATOM 882 CB ASP A 56 7.463 -10.009 -10.233 1.00 0.00 C ATOM 883 CG ASP A 56 8.716 -10.650 -10.875 1.00 0.00 C ATOM 884 OD1 ASP A 56 8.995 -10.372 -12.040 1.00 0.00 O ATOM 885 OD2 ASP A 56 9.412 -11.403 -10.194 1.00 0.00 O ATOM 0 H ASP A 56 5.050 -10.014 -9.162 1.00 0.00 H new ATOM 0 HA ASP A 56 6.196 -9.776 -11.862 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.577 -8.925 -10.234 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.396 -10.322 -9.191 1.00 0.00 H new ATOM 890 N ILE A 57 6.331 -12.059 -12.672 1.00 0.00 N ATOM 891 CA ILE A 57 6.301 -13.385 -13.285 1.00 0.00 C ATOM 892 C ILE A 57 7.703 -13.706 -13.828 1.00 0.00 C ATOM 893 O ILE A 57 8.323 -12.923 -14.535 1.00 0.00 O ATOM 894 CB ILE A 57 5.199 -13.459 -14.355 1.00 0.00 C ATOM 895 CG1 ILE A 57 3.811 -13.254 -13.707 1.00 0.00 C ATOM 896 CG2 ILE A 57 5.256 -14.797 -15.121 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.641 -13.580 -14.634 1.00 0.00 C ATOM 0 H ILE A 57 6.582 -11.308 -13.314 1.00 0.00 H new ATOM 0 HA ILE A 57 6.048 -14.147 -12.548 1.00 0.00 H new ATOM 0 HB ILE A 57 5.367 -12.659 -15.076 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.741 -13.878 -12.816 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.724 -12.218 -13.378 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.465 -14.821 -15.871 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.224 -14.894 -15.612 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.119 -15.622 -14.422 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.702 -13.411 -14.107 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.684 -12.938 -15.514 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.701 -14.624 -14.943 1.00 0.00 H new ATOM 909 N THR A 58 8.137 -14.923 -13.432 1.00 0.00 N ATOM 910 CA THR A 58 9.446 -15.455 -13.792 1.00 0.00 C ATOM 911 C THR A 58 9.384 -16.989 -13.799 1.00 0.00 C ATOM 912 O THR A 58 8.409 -17.581 -13.351 1.00 0.00 O ATOM 913 CB THR A 58 10.500 -14.987 -12.736 1.00 0.00 C ATOM 914 OG1 THR A 58 11.881 -15.422 -12.939 1.00 0.00 O ATOM 915 CG2 THR A 58 9.982 -15.188 -11.274 1.00 0.00 C ATOM 0 H THR A 58 7.581 -15.554 -12.855 1.00 0.00 H new ATOM 0 HA THR A 58 9.730 -15.094 -14.780 1.00 0.00 H new ATOM 0 HB THR A 58 10.590 -13.915 -12.914 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.445 -15.068 -12.220 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.742 -14.851 -10.569 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.070 -14.609 -11.128 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.772 -16.244 -11.104 1.00 0.00 H new ATOM 923 N THR A 59 10.478 -17.610 -14.310 1.00 0.00 N ATOM 924 CA THR A 59 10.504 -19.077 -14.340 1.00 0.00 C ATOM 925 C THR A 59 10.778 -19.678 -12.943 1.00 0.00 C ATOM 926 O THR A 59 10.732 -20.891 -12.777 1.00 0.00 O ATOM 927 CB THR A 59 11.473 -19.692 -15.402 1.00 0.00 C ATOM 928 OG1 THR A 59 11.562 -21.157 -15.445 1.00 0.00 O ATOM 929 CG2 THR A 59 12.867 -19.001 -15.419 1.00 0.00 C ATOM 0 H THR A 59 11.304 -17.143 -14.684 1.00 0.00 H new ATOM 0 HA THR A 59 9.499 -19.357 -14.656 1.00 0.00 H new ATOM 0 HB THR A 59 10.977 -19.456 -16.343 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.285 -21.527 -14.581 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.496 -19.470 -16.175 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.746 -17.943 -15.653 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.337 -19.105 -14.441 1.00 0.00 H new ATOM 937 N GLN A 60 11.057 -18.788 -11.955 1.00 0.00 N ATOM 938 CA GLN A 60 11.302 -19.267 -10.590 1.00 0.00 C ATOM 939 C GLN A 60 9.975 -19.446 -9.808 1.00 0.00 C ATOM 940 O GLN A 60 9.941 -20.107 -8.778 1.00 0.00 O ATOM 941 CB GLN A 60 12.248 -18.330 -9.826 1.00 0.00 C ATOM 942 CG GLN A 60 13.722 -18.499 -10.239 1.00 0.00 C ATOM 943 CD GLN A 60 14.615 -17.456 -9.550 1.00 0.00 C ATOM 944 OE1 GLN A 60 15.178 -17.691 -8.489 1.00 0.00 O ATOM 945 NE2 GLN A 60 14.712 -16.297 -10.219 1.00 0.00 N ATOM 0 H GLN A 60 11.114 -17.777 -12.079 1.00 0.00 H new ATOM 0 HA GLN A 60 11.784 -20.241 -10.675 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.944 -17.297 -9.997 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.152 -18.518 -8.757 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.062 -19.501 -9.980 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.813 -18.402 -11.321 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.213 -16.173 -11.100 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.285 -15.540 -9.847 1.00 0.00 H new ATOM 954 N GLY A 61 8.901 -18.825 -10.350 1.00 0.00 N ATOM 955 CA GLY A 61 7.576 -18.896 -9.740 1.00 0.00 C ATOM 956 C GLY A 61 6.915 -17.517 -9.674 1.00 0.00 C ATOM 957 O GLY A 61 7.577 -16.486 -9.695 1.00 0.00 O ATOM 0 H GLY A 61 8.938 -18.273 -11.207 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.946 -19.576 -10.314 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.659 -19.310 -8.735 1.00 0.00 H new ATOM 961 N GLU A 62 5.567 -17.571 -9.588 1.00 0.00 N ATOM 962 CA GLU A 62 4.750 -16.374 -9.515 1.00 0.00 C ATOM 963 C GLU A 62 4.928 -15.699 -8.143 1.00 0.00 C ATOM 964 O GLU A 62 4.983 -16.339 -7.098 1.00 0.00 O ATOM 965 CB GLU A 62 3.290 -16.759 -9.776 1.00 0.00 C ATOM 966 CG GLU A 62 2.551 -15.597 -10.428 1.00 0.00 C ATOM 967 CD GLU A 62 1.123 -15.980 -10.817 1.00 0.00 C ATOM 968 OE1 GLU A 62 0.234 -15.879 -9.977 1.00 0.00 O ATOM 969 OE2 GLU A 62 0.903 -16.346 -11.972 1.00 0.00 O ATOM 0 H GLU A 62 5.036 -18.441 -9.569 1.00 0.00 H new ATOM 0 HA GLU A 62 5.060 -15.654 -10.272 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.247 -17.636 -10.422 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.804 -17.029 -8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.526 -14.751 -9.741 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.095 -15.272 -11.315 1.00 0.00 H new ATOM 976 N VAL A 63 5.019 -14.361 -8.249 1.00 0.00 N ATOM 977 CA VAL A 63 5.248 -13.486 -7.116 1.00 0.00 C ATOM 978 C VAL A 63 4.585 -12.129 -7.458 1.00 0.00 C ATOM 979 O VAL A 63 3.923 -11.990 -8.479 1.00 0.00 O ATOM 980 CB VAL A 63 6.786 -13.448 -6.942 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.517 -13.080 -8.243 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.270 -12.583 -5.768 1.00 0.00 C ATOM 0 H VAL A 63 4.933 -13.866 -9.137 1.00 0.00 H new ATOM 0 HA VAL A 63 4.814 -13.803 -6.168 1.00 0.00 H new ATOM 0 HB VAL A 63 7.053 -14.473 -6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.592 -13.068 -8.065 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.285 -13.817 -9.012 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.193 -12.094 -8.576 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.358 -12.613 -5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.941 -11.554 -5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.854 -12.968 -4.837 1.00 0.00 H new ATOM 992 N VAL A 64 4.779 -11.168 -6.535 1.00 0.00 N ATOM 993 CA VAL A 64 4.289 -9.798 -6.653 1.00 0.00 C ATOM 994 C VAL A 64 5.544 -8.890 -6.615 1.00 0.00 C ATOM 995 O VAL A 64 6.638 -9.369 -6.867 1.00 0.00 O ATOM 996 CB VAL A 64 3.071 -9.609 -5.706 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.691 -8.179 -5.349 1.00 0.00 C ATOM 998 CG2 VAL A 64 1.813 -10.153 -6.379 1.00 0.00 C ATOM 0 H VAL A 64 5.293 -11.335 -5.670 1.00 0.00 H new ATOM 0 HA VAL A 64 3.816 -9.496 -7.587 1.00 0.00 H new ATOM 0 HB VAL A 64 3.393 -10.122 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.827 -8.187 -4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.529 -7.694 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.444 -7.631 -6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.959 -10.021 -5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.636 -9.614 -7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.945 -11.214 -6.593 1.00 0.00 H new ATOM 1008 N LYS A 65 5.350 -7.584 -6.372 1.00 0.00 N ATOM 1009 CA LYS A 65 6.395 -6.566 -6.276 1.00 0.00 C ATOM 1010 C LYS A 65 5.914 -5.515 -5.262 1.00 0.00 C ATOM 1011 O LYS A 65 4.789 -5.611 -4.799 1.00 0.00 O ATOM 1012 CB LYS A 65 6.620 -5.915 -7.650 1.00 0.00 C ATOM 1013 CG LYS A 65 7.337 -6.829 -8.649 1.00 0.00 C ATOM 1014 CD LYS A 65 8.816 -7.048 -8.270 1.00 0.00 C ATOM 1015 CE LYS A 65 9.745 -7.383 -9.447 1.00 0.00 C ATOM 1016 NZ LYS A 65 10.367 -8.700 -9.335 1.00 0.00 N ATOM 0 H LYS A 65 4.417 -7.197 -6.232 1.00 0.00 H new ATOM 0 HA LYS A 65 7.339 -7.006 -5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.656 -5.620 -8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.203 -5.003 -7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.827 -7.791 -8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.279 -6.393 -9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.187 -6.148 -7.779 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.873 -7.856 -7.540 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.176 -7.335 -10.375 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.525 -6.625 -9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.664 -9.025 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.198 -8.640 -8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.683 -9.374 -8.936 1.00 0.00 H new ATOM 1030 N HIS A 66 6.798 -4.533 -4.939 1.00 0.00 N ATOM 1031 CA HIS A 66 6.476 -3.466 -3.986 1.00 0.00 C ATOM 1032 C HIS A 66 7.322 -2.207 -4.292 1.00 0.00 C ATOM 1033 O HIS A 66 8.542 -2.287 -4.337 1.00 0.00 O ATOM 1034 CB HIS A 66 6.853 -3.915 -2.564 1.00 0.00 C ATOM 1035 CG HIS A 66 5.964 -5.037 -2.091 1.00 0.00 C ATOM 1036 ND1 HIS A 66 6.320 -6.336 -2.135 1.00 0.00 N ATOM 1037 CD2 HIS A 66 4.667 -4.946 -1.564 1.00 0.00 C ATOM 1038 CE1 HIS A 66 5.271 -7.019 -1.653 1.00 0.00 C ATOM 1039 NE2 HIS A 66 4.258 -6.207 -1.300 1.00 0.00 N ATOM 0 H HIS A 66 7.737 -4.469 -5.332 1.00 0.00 H new ATOM 0 HA HIS A 66 5.411 -3.249 -4.067 1.00 0.00 H new ATOM 0 HB2 HIS A 66 7.893 -4.240 -2.547 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.772 -3.070 -1.880 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.102 -4.040 -1.400 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.243 -8.095 -1.559 1.00 0.00 H new ATOM 0 HE2 HIS A 66 3.358 -6.488 -0.910 1.00 0.00 H new ATOM 1047 N TYR A 67 6.632 -1.056 -4.485 1.00 0.00 N ATOM 1048 CA TYR A 67 7.330 0.214 -4.749 1.00 0.00 C ATOM 1049 C TYR A 67 6.736 1.260 -3.801 1.00 0.00 C ATOM 1050 O TYR A 67 5.540 1.511 -3.782 1.00 0.00 O ATOM 1051 CB TYR A 67 7.271 0.639 -6.224 1.00 0.00 C ATOM 1052 CG TYR A 67 7.692 -0.504 -7.094 1.00 0.00 C ATOM 1053 CD1 TYR A 67 9.038 -0.730 -7.327 1.00 0.00 C ATOM 1054 CD2 TYR A 67 6.750 -1.376 -7.619 1.00 0.00 C ATOM 1055 CE1 TYR A 67 9.453 -1.851 -8.034 1.00 0.00 C ATOM 1056 CE2 TYR A 67 7.144 -2.494 -8.334 1.00 0.00 C ATOM 1057 CZ TYR A 67 8.503 -2.750 -8.543 1.00 0.00 C ATOM 1058 OH TYR A 67 8.886 -3.911 -9.209 1.00 0.00 O ATOM 0 H TYR A 67 5.615 -0.986 -4.463 1.00 0.00 H new ATOM 0 HA TYR A 67 8.397 0.098 -4.557 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.259 0.952 -6.482 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.923 1.496 -6.392 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.771 -0.029 -6.956 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.698 -1.181 -7.469 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.506 -2.031 -8.192 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.401 -3.170 -8.731 1.00 0.00 H new ATOM 0 HH TYR A 67 9.399 -3.675 -10.010 1.00 0.00 H new ATOM 1068 N LYS A 68 7.663 1.829 -3.009 1.00 0.00 N ATOM 1069 CA LYS A 68 7.340 2.801 -1.978 1.00 0.00 C ATOM 1070 C LYS A 68 7.168 4.234 -2.520 1.00 0.00 C ATOM 1071 O LYS A 68 7.989 5.116 -2.298 1.00 0.00 O ATOM 1072 CB LYS A 68 8.356 2.706 -0.827 1.00 0.00 C ATOM 1073 CG LYS A 68 9.803 2.755 -1.318 1.00 0.00 C ATOM 1074 CD LYS A 68 10.402 1.373 -1.639 1.00 0.00 C ATOM 1075 CE LYS A 68 11.194 0.740 -0.488 1.00 0.00 C ATOM 1076 NZ LYS A 68 10.343 0.201 0.569 1.00 0.00 N ATOM 0 H LYS A 68 8.659 1.619 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 68 6.358 2.548 -1.580 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.185 3.524 -0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.193 1.778 -0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.852 3.377 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.418 3.239 -0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.594 0.698 -1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.057 1.467 -2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.821 -0.059 -0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.862 1.488 -0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.937 -0.212 1.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.763 0.965 0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.722 -0.534 0.174 1.00 0.00 H new ATOM 1090 N ILE A 69 6.029 4.392 -3.226 1.00 0.00 N ATOM 1091 CA ILE A 69 5.630 5.689 -3.773 1.00 0.00 C ATOM 1092 C ILE A 69 5.480 6.757 -2.689 1.00 0.00 C ATOM 1093 O ILE A 69 4.599 6.722 -1.847 1.00 0.00 O ATOM 1094 CB ILE A 69 4.417 5.644 -4.738 1.00 0.00 C ATOM 1095 CG1 ILE A 69 3.401 4.518 -4.493 1.00 0.00 C ATOM 1096 CG2 ILE A 69 4.704 5.929 -6.193 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.504 3.316 -5.431 1.00 0.00 C ATOM 0 H ILE A 69 5.376 3.634 -3.426 1.00 0.00 H new ATOM 0 HA ILE A 69 6.466 5.987 -4.406 1.00 0.00 H new ATOM 0 HB ILE A 69 3.878 6.537 -4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.517 4.166 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.397 4.935 -4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.778 5.868 -6.765 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.126 6.929 -6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.415 5.196 -6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.741 2.583 -5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.354 3.643 -6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.491 2.863 -5.335 1.00 0.00 H new ATOM 1109 N ARG A 70 6.416 7.716 -2.796 1.00 0.00 N ATOM 1110 CA ARG A 70 6.421 8.849 -1.900 1.00 0.00 C ATOM 1111 C ARG A 70 5.373 9.829 -2.410 1.00 0.00 C ATOM 1112 O ARG A 70 4.778 9.647 -3.463 1.00 0.00 O ATOM 1113 CB ARG A 70 7.800 9.496 -1.910 1.00 0.00 C ATOM 1114 CG ARG A 70 8.834 8.609 -1.212 1.00 0.00 C ATOM 1115 CD ARG A 70 9.729 9.464 -0.317 1.00 0.00 C ATOM 1116 NE ARG A 70 10.996 8.815 -0.009 1.00 0.00 N ATOM 1117 CZ ARG A 70 11.094 7.770 0.835 1.00 0.00 C ATOM 1118 NH1 ARG A 70 10.024 7.290 1.456 1.00 0.00 N ATOM 1119 NH2 ARG A 70 12.282 7.220 1.047 1.00 0.00 N ATOM 0 H ARG A 70 7.163 7.716 -3.490 1.00 0.00 H new ATOM 0 HA ARG A 70 6.194 8.547 -0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.110 9.680 -2.938 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.753 10.465 -1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.331 7.847 -0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.438 8.087 -1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.923 10.417 -0.808 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.203 9.685 0.612 1.00 0.00 H new ATOM 0 HE ARG A 70 11.845 9.167 -0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.110 7.713 1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.116 6.498 2.092 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.107 7.589 0.573 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.371 6.428 1.684 1.00 0.00 H new ATOM 1133 N SER A 71 5.212 10.867 -1.588 1.00 0.00 N ATOM 1134 CA SER A 71 4.269 11.915 -1.882 1.00 0.00 C ATOM 1135 C SER A 71 4.971 13.235 -1.604 1.00 0.00 C ATOM 1136 O SER A 71 5.293 13.563 -0.468 1.00 0.00 O ATOM 1137 CB SER A 71 3.111 11.711 -0.893 1.00 0.00 C ATOM 1138 OG SER A 71 3.457 11.297 0.491 1.00 0.00 O ATOM 0 H SER A 71 5.728 10.993 -0.717 1.00 0.00 H new ATOM 0 HA SER A 71 3.907 11.907 -2.910 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.550 12.644 -0.835 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.440 10.961 -1.311 1.00 0.00 H new ATOM 0 HG SER A 71 3.117 11.962 1.126 1.00 0.00 H new ATOM 1144 N LEU A 72 5.188 13.946 -2.719 1.00 0.00 N ATOM 1145 CA LEU A 72 5.889 15.209 -2.696 1.00 0.00 C ATOM 1146 C LEU A 72 4.896 16.341 -2.892 1.00 0.00 C ATOM 1147 O LEU A 72 4.000 16.295 -3.729 1.00 0.00 O ATOM 1148 CB LEU A 72 6.946 15.207 -3.808 1.00 0.00 C ATOM 1149 CG LEU A 72 7.660 13.872 -3.962 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.135 13.344 -2.598 1.00 0.00 C ATOM 1151 CD2 LEU A 72 6.821 12.895 -4.808 1.00 0.00 C ATOM 0 H LEU A 72 4.881 13.654 -3.647 1.00 0.00 H new ATOM 0 HA LEU A 72 6.386 15.353 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.469 15.466 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.683 15.983 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 72 8.578 14.002 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.642 12.389 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.824 14.060 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.276 13.208 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.352 11.948 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.861 12.725 -4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.656 13.320 -5.798 1.00 0.00 H new ATOM 1163 N ASP A 73 5.150 17.355 -2.053 1.00 0.00 N ATOM 1164 CA ASP A 73 4.339 18.569 -2.063 1.00 0.00 C ATOM 1165 C ASP A 73 4.474 19.340 -3.391 1.00 0.00 C ATOM 1166 O ASP A 73 3.554 20.011 -3.840 1.00 0.00 O ATOM 1167 CB ASP A 73 4.765 19.488 -0.904 1.00 0.00 C ATOM 1168 CG ASP A 73 6.285 19.761 -0.882 1.00 0.00 C ATOM 1169 OD1 ASP A 73 7.021 18.948 -0.323 1.00 0.00 O ATOM 1170 OD2 ASP A 73 6.711 20.779 -1.426 1.00 0.00 O ATOM 0 H ASP A 73 5.905 17.355 -1.367 1.00 0.00 H new ATOM 0 HA ASP A 73 3.298 18.268 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.232 20.435 -0.983 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.469 19.033 0.041 1.00 0.00 H new ATOM 1175 N ASN A 74 5.680 19.176 -3.973 1.00 0.00 N ATOM 1176 CA ASN A 74 6.046 19.842 -5.214 1.00 0.00 C ATOM 1177 C ASN A 74 6.345 18.865 -6.372 1.00 0.00 C ATOM 1178 O ASN A 74 6.798 19.281 -7.430 1.00 0.00 O ATOM 1179 CB ASN A 74 7.278 20.713 -4.918 1.00 0.00 C ATOM 1180 CG ASN A 74 8.465 19.917 -4.338 1.00 0.00 C ATOM 1181 OD1 ASN A 74 8.491 18.693 -4.318 1.00 0.00 O ATOM 1182 ND2 ASN A 74 9.444 20.704 -3.867 1.00 0.00 N ATOM 0 H ASN A 74 6.414 18.580 -3.590 1.00 0.00 H new ATOM 0 HA ASN A 74 5.199 20.439 -5.551 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.595 21.206 -5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.999 21.498 -4.215 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.281 20.288 -3.458 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.352 21.719 -3.918 1.00 0.00 H new ATOM 1189 N GLY A 75 6.075 17.566 -6.125 1.00 0.00 N ATOM 1190 CA GLY A 75 6.367 16.577 -7.168 1.00 0.00 C ATOM 1191 C GLY A 75 5.432 15.367 -7.235 1.00 0.00 C ATOM 1192 O GLY A 75 5.758 14.373 -7.865 1.00 0.00 O ATOM 0 H GLY A 75 5.678 17.197 -5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.344 17.081 -8.134 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.385 16.215 -7.022 1.00 0.00 H new ATOM 1196 N GLY A 76 4.276 15.498 -6.562 1.00 0.00 N ATOM 1197 CA GLY A 76 3.244 14.466 -6.565 1.00 0.00 C ATOM 1198 C GLY A 76 3.611 13.119 -5.941 1.00 0.00 C ATOM 1199 O GLY A 76 3.305 12.866 -4.786 1.00 0.00 O ATOM 0 H GLY A 76 4.039 16.320 -6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.372 14.857 -6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.943 14.291 -7.598 1.00 0.00 H new ATOM 1203 N TYR A 77 4.249 12.270 -6.788 1.00 0.00 N ATOM 1204 CA TYR A 77 4.673 10.931 -6.400 1.00 0.00 C ATOM 1205 C TYR A 77 5.929 10.573 -7.167 1.00 0.00 C ATOM 1206 O TYR A 77 6.076 10.866 -8.346 1.00 0.00 O ATOM 1207 CB TYR A 77 3.649 9.838 -6.768 1.00 0.00 C ATOM 1208 CG TYR A 77 2.321 10.021 -6.109 1.00 0.00 C ATOM 1209 CD1 TYR A 77 1.373 10.861 -6.666 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.012 9.318 -4.960 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.104 10.986 -6.116 1.00 0.00 C ATOM 1212 CE2 TYR A 77 0.758 9.443 -4.384 1.00 0.00 C ATOM 1213 CZ TYR A 77 -0.215 10.274 -4.955 1.00 0.00 C ATOM 1214 OH TYR A 77 -1.490 10.347 -4.408 1.00 0.00 O ATOM 0 H TYR A 77 4.476 12.509 -7.753 1.00 0.00 H new ATOM 0 HA TYR A 77 4.807 10.959 -5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.511 9.829 -7.849 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.053 8.864 -6.490 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.625 11.432 -7.547 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.749 8.670 -4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.630 11.627 -6.581 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.528 8.893 -3.484 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.534 9.788 -3.604 1.00 0.00 H new ATOM 1224 N TYR A 78 6.814 9.895 -6.413 1.00 0.00 N ATOM 1225 CA TYR A 78 8.047 9.433 -7.037 1.00 0.00 C ATOM 1226 C TYR A 78 8.480 8.109 -6.393 1.00 0.00 C ATOM 1227 O TYR A 78 8.165 7.786 -5.255 1.00 0.00 O ATOM 1228 CB TYR A 78 9.152 10.508 -7.086 1.00 0.00 C ATOM 1229 CG TYR A 78 10.161 10.427 -5.971 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.274 9.617 -6.129 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.001 11.124 -4.779 1.00 0.00 C ATOM 1232 CE1 TYR A 78 12.197 9.440 -5.116 1.00 0.00 C ATOM 1233 CE2 TYR A 78 10.929 10.974 -3.755 1.00 0.00 C ATOM 1234 CZ TYR A 78 12.023 10.112 -3.901 1.00 0.00 C ATOM 1235 OH TYR A 78 12.914 9.927 -2.849 1.00 0.00 O ATOM 0 H TYR A 78 6.702 9.669 -5.425 1.00 0.00 H new ATOM 0 HA TYR A 78 7.850 9.238 -8.091 1.00 0.00 H new ATOM 0 HB2 TYR A 78 9.676 10.427 -8.038 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.684 11.492 -7.063 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.424 9.110 -7.070 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.155 11.783 -4.648 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.046 8.788 -5.261 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.805 11.528 -2.837 1.00 0.00 H new ATOM 0 HH TYR A 78 12.636 10.475 -2.085 1.00 0.00 H new ATOM 1245 N ILE A 79 9.225 7.391 -7.246 1.00 0.00 N ATOM 1246 CA ILE A 79 9.808 6.078 -6.959 1.00 0.00 C ATOM 1247 C ILE A 79 11.281 6.106 -7.338 1.00 0.00 C ATOM 1248 O ILE A 79 12.156 5.880 -6.512 1.00 0.00 O ATOM 1249 CB ILE A 79 8.890 4.918 -7.397 1.00 0.00 C ATOM 1250 CG1 ILE A 79 8.007 5.335 -8.581 1.00 0.00 C ATOM 1251 CG2 ILE A 79 8.108 4.278 -6.252 1.00 0.00 C ATOM 1252 CD1 ILE A 79 7.039 4.253 -9.030 1.00 0.00 C ATOM 0 H ILE A 79 9.444 7.722 -8.186 1.00 0.00 H new ATOM 0 HA ILE A 79 9.844 5.841 -5.896 1.00 0.00 H new ATOM 0 HB ILE A 79 9.542 4.117 -7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.441 6.225 -8.306 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.646 5.610 -9.420 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.487 3.472 -6.642 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.804 3.876 -5.516 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.474 5.029 -5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.448 4.619 -9.870 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.598 3.369 -9.337 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.375 3.994 -8.205 1.00 0.00 H new ATOM 1264 N SER A 80 11.500 6.431 -8.620 1.00 0.00 N ATOM 1265 CA SER A 80 12.864 6.611 -9.093 1.00 0.00 C ATOM 1266 C SER A 80 13.002 8.141 -9.025 1.00 0.00 C ATOM 1267 O SER A 80 12.158 8.835 -9.566 1.00 0.00 O ATOM 1268 CB SER A 80 13.016 6.056 -10.540 1.00 0.00 C ATOM 1269 OG SER A 80 12.189 4.907 -10.987 1.00 0.00 O ATOM 0 H SER A 80 10.772 6.569 -9.321 1.00 0.00 H new ATOM 0 HA SER A 80 13.629 6.086 -8.522 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.821 6.881 -11.225 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.061 5.773 -10.670 1.00 0.00 H new ATOM 0 HG SER A 80 12.408 4.689 -11.917 1.00 0.00 H new ATOM 1275 N PRO A 81 14.048 8.688 -8.347 1.00 0.00 N ATOM 1276 CA PRO A 81 14.163 10.142 -8.236 1.00 0.00 C ATOM 1277 C PRO A 81 14.361 10.889 -9.569 1.00 0.00 C ATOM 1278 O PRO A 81 14.197 12.099 -9.653 1.00 0.00 O ATOM 1279 CB PRO A 81 15.326 10.351 -7.262 1.00 0.00 C ATOM 1280 CG PRO A 81 15.651 8.982 -6.664 1.00 0.00 C ATOM 1281 CD PRO A 81 15.103 7.965 -7.647 1.00 0.00 C ATOM 0 HA PRO A 81 13.226 10.573 -7.883 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.193 10.764 -7.778 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.053 11.060 -6.480 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.726 8.858 -6.531 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.192 8.865 -5.682 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.874 7.618 -8.335 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.713 7.085 -7.136 1.00 0.00 H new ATOM 1289 N ARG A 82 14.679 10.083 -10.605 1.00 0.00 N ATOM 1290 CA ARG A 82 14.860 10.609 -11.953 1.00 0.00 C ATOM 1291 C ARG A 82 13.487 10.810 -12.647 1.00 0.00 C ATOM 1292 O ARG A 82 13.357 11.595 -13.579 1.00 0.00 O ATOM 1293 CB ARG A 82 15.866 9.725 -12.705 1.00 0.00 C ATOM 1294 CG ARG A 82 15.322 8.368 -13.177 1.00 0.00 C ATOM 1295 CD ARG A 82 15.091 8.382 -14.688 1.00 0.00 C ATOM 1296 NE ARG A 82 14.431 7.158 -15.144 1.00 0.00 N ATOM 1297 CZ ARG A 82 15.111 6.018 -15.392 1.00 0.00 C ATOM 1298 NH1 ARG A 82 16.430 5.952 -15.252 1.00 0.00 N ATOM 1299 NH2 ARG A 82 14.457 4.936 -15.785 1.00 0.00 N ATOM 0 H ARG A 82 14.812 9.075 -10.524 1.00 0.00 H new ATOM 0 HA ARG A 82 15.298 11.607 -11.937 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.229 10.274 -13.574 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.725 9.548 -12.057 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.026 7.577 -12.918 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.388 8.145 -12.662 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.482 9.246 -14.955 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.046 8.494 -15.202 1.00 0.00 H new ATOM 0 HE ARG A 82 13.420 7.166 -15.279 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.953 6.774 -14.951 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.920 5.079 -15.446 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.444 4.966 -15.899 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.966 4.073 -15.974 1.00 0.00 H new ATOM 1313 N ILE A 83 12.482 10.071 -12.111 1.00 0.00 N ATOM 1314 CA ILE A 83 11.097 10.116 -12.574 1.00 0.00 C ATOM 1315 C ILE A 83 10.093 10.214 -11.390 1.00 0.00 C ATOM 1316 O ILE A 83 9.815 9.306 -10.603 1.00 0.00 O ATOM 1317 CB ILE A 83 10.754 9.033 -13.580 1.00 0.00 C ATOM 1318 CG1 ILE A 83 11.189 7.665 -13.088 1.00 0.00 C ATOM 1319 CG2 ILE A 83 11.336 9.359 -14.967 1.00 0.00 C ATOM 1320 CD1 ILE A 83 10.383 6.628 -13.827 1.00 0.00 C ATOM 0 H ILE A 83 12.627 9.424 -11.336 1.00 0.00 H new ATOM 0 HA ILE A 83 10.993 11.043 -13.138 1.00 0.00 H new ATOM 0 HB ILE A 83 9.669 9.004 -13.685 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.254 7.517 -13.265 1.00 0.00 H new ATOM 0 HG13 ILE A 83 11.029 7.578 -12.013 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.074 8.566 -15.667 1.00 0.00 H new ATOM 0 HG22 ILE A 83 10.926 10.305 -15.321 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.421 9.438 -14.897 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.676 5.633 -13.492 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.323 6.781 -13.627 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.567 6.719 -14.898 1.00 0.00 H new ATOM 1332 N THR A 84 9.580 11.452 -11.405 1.00 0.00 N ATOM 1333 CA THR A 84 8.595 12.000 -10.498 1.00 0.00 C ATOM 1334 C THR A 84 7.365 12.293 -11.380 1.00 0.00 C ATOM 1335 O THR A 84 7.484 12.426 -12.594 1.00 0.00 O ATOM 1336 CB THR A 84 9.236 13.303 -9.935 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.699 13.405 -9.805 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.597 13.651 -8.572 1.00 0.00 C ATOM 0 H THR A 84 9.871 12.134 -12.105 1.00 0.00 H new ATOM 0 HA THR A 84 8.303 11.357 -9.667 1.00 0.00 H new ATOM 0 HB THR A 84 9.015 14.013 -10.732 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.934 14.283 -9.439 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.048 14.563 -8.181 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.525 13.802 -8.701 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.766 12.833 -7.871 1.00 0.00 H new ATOM 1346 N PHE A 85 6.198 12.385 -10.720 1.00 0.00 N ATOM 1347 CA PHE A 85 4.945 12.581 -11.462 1.00 0.00 C ATOM 1348 C PHE A 85 3.982 13.406 -10.593 1.00 0.00 C ATOM 1349 O PHE A 85 3.958 13.221 -9.391 1.00 0.00 O ATOM 1350 CB PHE A 85 4.326 11.192 -11.736 1.00 0.00 C ATOM 1351 CG PHE A 85 5.222 10.291 -12.554 1.00 0.00 C ATOM 1352 CD1 PHE A 85 6.160 9.465 -11.933 1.00 0.00 C ATOM 1353 CD2 PHE A 85 5.125 10.265 -13.942 1.00 0.00 C ATOM 1354 CE1 PHE A 85 6.985 8.634 -12.678 1.00 0.00 C ATOM 1355 CE2 PHE A 85 5.949 9.434 -14.692 1.00 0.00 C ATOM 1356 CZ PHE A 85 6.880 8.619 -14.060 1.00 0.00 C ATOM 0 H PHE A 85 6.097 12.329 -9.707 1.00 0.00 H new ATOM 0 HA PHE A 85 5.128 13.102 -12.401 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.104 10.707 -10.786 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.378 11.321 -12.258 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.245 9.473 -10.856 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.404 10.896 -14.440 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.706 8.001 -12.183 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.865 9.422 -15.769 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.521 7.975 -14.644 1.00 0.00 H new ATOM 1366 N PRO A 86 3.150 14.299 -11.207 1.00 0.00 N ATOM 1367 CA PRO A 86 2.226 15.146 -10.433 1.00 0.00 C ATOM 1368 C PRO A 86 1.136 14.360 -9.677 1.00 0.00 C ATOM 1369 O PRO A 86 0.543 14.851 -8.724 1.00 0.00 O ATOM 1370 CB PRO A 86 1.580 16.049 -11.501 1.00 0.00 C ATOM 1371 CG PRO A 86 1.776 15.312 -12.829 1.00 0.00 C ATOM 1372 CD PRO A 86 3.051 14.491 -12.652 1.00 0.00 C ATOM 0 HA PRO A 86 2.762 15.682 -9.650 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.522 16.209 -11.293 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.052 17.031 -11.523 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.923 14.671 -13.052 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.872 16.014 -13.657 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.988 13.538 -13.178 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.922 15.016 -13.046 1.00 0.00 H new ATOM 1380 N THR A 87 0.935 13.114 -10.143 1.00 0.00 N ATOM 1381 CA THR A 87 -0.031 12.207 -9.539 1.00 0.00 C ATOM 1382 C THR A 87 0.411 10.805 -9.911 1.00 0.00 C ATOM 1383 O THR A 87 1.231 10.608 -10.801 1.00 0.00 O ATOM 1384 CB THR A 87 -1.492 12.356 -10.044 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.489 11.383 -9.586 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.522 12.604 -11.564 1.00 0.00 C ATOM 0 H THR A 87 1.436 12.720 -10.940 1.00 0.00 H new ATOM 0 HA THR A 87 -0.046 12.430 -8.472 1.00 0.00 H new ATOM 0 HB THR A 87 -1.851 13.245 -9.525 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.361 11.598 -9.979 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.555 12.705 -11.896 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.976 13.519 -11.794 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.056 11.764 -12.079 1.00 0.00 H new ATOM 1394 N LEU A 88 -0.209 9.835 -9.203 1.00 0.00 N ATOM 1395 CA LEU A 88 0.130 8.466 -9.515 1.00 0.00 C ATOM 1396 C LEU A 88 -0.353 8.126 -10.924 1.00 0.00 C ATOM 1397 O LEU A 88 0.324 7.347 -11.562 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.509 7.408 -8.596 1.00 0.00 C ATOM 1399 CG LEU A 88 -0.013 7.340 -7.160 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -0.833 6.301 -6.424 1.00 0.00 C ATOM 1401 CD2 LEU A 88 1.431 6.883 -7.058 1.00 0.00 C ATOM 0 H LEU A 88 -0.898 9.976 -8.464 1.00 0.00 H new ATOM 0 HA LEU A 88 1.212 8.423 -9.392 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.584 7.586 -8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.357 6.430 -9.052 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.102 8.343 -6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.494 6.235 -5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.885 6.587 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.712 5.332 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.730 6.854 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.529 5.888 -7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.072 7.579 -7.599 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.479 8.707 -11.441 1.00 0.00 N ATOM 1414 CA GLN A 89 -1.859 8.181 -12.778 1.00 0.00 C ATOM 1415 C GLN A 89 -0.817 8.405 -13.879 1.00 0.00 C ATOM 1416 O GLN A 89 -0.649 7.556 -14.738 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.304 8.351 -13.252 1.00 0.00 C ATOM 1418 CG GLN A 89 -3.874 9.748 -13.358 1.00 0.00 C ATOM 1419 CD GLN A 89 -3.175 10.708 -14.338 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -2.605 10.115 -15.399 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -3.164 11.915 -14.145 1.00 0.00 N flip ATOM 0 H GLN A 89 -2.062 9.433 -11.024 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.844 7.114 -12.554 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.387 7.885 -14.234 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -3.943 7.784 -12.575 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -4.921 9.667 -13.650 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.854 10.200 -12.366 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.616 12.303 -13.317 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.702 12.534 -14.812 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.120 9.552 -13.807 1.00 0.00 N ATOM 1431 CA ALA A 90 0.908 9.835 -14.816 1.00 0.00 C ATOM 1432 C ALA A 90 2.112 8.865 -14.693 1.00 0.00 C ATOM 1433 O ALA A 90 2.930 8.718 -15.591 1.00 0.00 O ATOM 1434 CB ALA A 90 1.363 11.291 -14.682 1.00 0.00 C ATOM 0 H ALA A 90 -0.243 10.269 -13.092 1.00 0.00 H new ATOM 0 HA ALA A 90 0.476 9.681 -15.805 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.127 11.504 -15.430 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.511 11.954 -14.834 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.776 11.453 -13.686 1.00 0.00 H new ATOM 1440 N LEU A 91 2.145 8.220 -13.516 1.00 0.00 N ATOM 1441 CA LEU A 91 3.122 7.213 -13.155 1.00 0.00 C ATOM 1442 C LEU A 91 2.617 5.861 -13.697 1.00 0.00 C ATOM 1443 O LEU A 91 3.366 5.107 -14.300 1.00 0.00 O ATOM 1444 CB LEU A 91 3.323 7.318 -11.623 1.00 0.00 C ATOM 1445 CG LEU A 91 3.694 6.064 -10.817 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.282 6.476 -9.464 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.461 5.198 -10.537 1.00 0.00 C ATOM 0 H LEU A 91 1.467 8.399 -12.776 1.00 0.00 H new ATOM 0 HA LEU A 91 4.111 7.342 -13.595 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.101 8.061 -11.447 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.401 7.716 -11.200 1.00 0.00 H new ATOM 0 HG LEU A 91 4.415 5.498 -11.406 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.544 5.584 -8.895 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.175 7.080 -9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.546 7.057 -8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.756 4.318 -9.965 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.733 5.775 -9.966 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.015 4.884 -11.481 1.00 0.00 H new ATOM 1459 N VAL A 92 1.297 5.629 -13.500 1.00 0.00 N ATOM 1460 CA VAL A 92 0.648 4.401 -13.916 1.00 0.00 C ATOM 1461 C VAL A 92 0.360 4.396 -15.447 1.00 0.00 C ATOM 1462 O VAL A 92 -0.051 3.380 -15.981 1.00 0.00 O ATOM 1463 CB VAL A 92 -0.675 4.184 -13.111 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -0.998 2.720 -12.928 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.742 4.674 -11.657 1.00 0.00 C ATOM 0 H VAL A 92 0.671 6.296 -13.049 1.00 0.00 H new ATOM 0 HA VAL A 92 1.330 3.577 -13.704 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.346 4.767 -13.742 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.925 2.620 -12.363 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.115 2.248 -13.904 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.188 2.234 -12.385 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.724 4.448 -11.242 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.025 4.171 -11.068 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.575 5.751 -11.628 1.00 0.00 H new ATOM 1475 N GLN A 93 0.600 5.556 -16.118 1.00 0.00 N ATOM 1476 CA GLN A 93 0.340 5.744 -17.552 1.00 0.00 C ATOM 1477 C GLN A 93 1.606 5.384 -18.351 1.00 0.00 C ATOM 1478 O GLN A 93 1.606 4.556 -19.257 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.170 7.182 -17.874 1.00 0.00 C ATOM 1480 CG GLN A 93 0.890 8.247 -18.206 1.00 0.00 C ATOM 1481 CD GLN A 93 0.298 9.649 -18.360 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -0.905 9.866 -18.341 1.00 0.00 O ATOM 1483 NE2 GLN A 93 1.246 10.586 -18.497 1.00 0.00 N ATOM 0 H GLN A 93 0.982 6.386 -15.665 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.465 5.073 -17.852 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.857 7.116 -18.717 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.747 7.535 -17.019 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.643 8.261 -17.418 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.399 7.970 -19.129 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.230 10.319 -18.503 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.983 11.567 -18.596 1.00 0.00 H new ATOM 1492 N HIS A 94 2.692 6.065 -17.919 1.00 0.00 N ATOM 1493 CA HIS A 94 4.018 5.931 -18.499 1.00 0.00 C ATOM 1494 C HIS A 94 4.501 4.492 -18.331 1.00 0.00 C ATOM 1495 O HIS A 94 5.107 3.906 -19.216 1.00 0.00 O ATOM 1496 CB HIS A 94 4.955 6.918 -17.774 1.00 0.00 C ATOM 1497 CG HIS A 94 6.394 6.798 -18.239 1.00 0.00 C ATOM 1498 ND1 HIS A 94 7.457 6.942 -17.420 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.873 6.533 -19.535 1.00 0.00 C ATOM 1500 CE1 HIS A 94 8.545 6.772 -18.191 1.00 0.00 C ATOM 1501 NE2 HIS A 94 8.223 6.523 -19.473 1.00 0.00 N ATOM 0 H HIS A 94 2.655 6.729 -17.146 1.00 0.00 H new ATOM 0 HA HIS A 94 4.005 6.160 -19.565 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.606 7.937 -17.942 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.907 6.738 -16.700 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.272 6.368 -20.417 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.559 6.829 -17.824 1.00 0.00 H new ATOM 0 HE2 HIS A 94 8.869 6.359 -20.245 1.00 0.00 H new ATOM 1509 N TYR A 95 4.149 3.975 -17.139 1.00 0.00 N ATOM 1510 CA TYR A 95 4.527 2.623 -16.776 1.00 0.00 C ATOM 1511 C TYR A 95 3.756 1.555 -17.541 1.00 0.00 C ATOM 1512 O TYR A 95 4.275 0.465 -17.747 1.00 0.00 O ATOM 1513 CB TYR A 95 4.345 2.452 -15.284 1.00 0.00 C ATOM 1514 CG TYR A 95 5.413 3.100 -14.448 1.00 0.00 C ATOM 1515 CD1 TYR A 95 6.476 3.845 -14.960 1.00 0.00 C ATOM 1516 CD2 TYR A 95 5.341 2.899 -13.087 1.00 0.00 C ATOM 1517 CE1 TYR A 95 7.474 4.324 -14.124 1.00 0.00 C ATOM 1518 CE2 TYR A 95 6.327 3.359 -12.245 1.00 0.00 C ATOM 1519 CZ TYR A 95 7.432 4.045 -12.755 1.00 0.00 C ATOM 1520 OH TYR A 95 8.478 4.414 -11.917 1.00 0.00 O ATOM 0 H TYR A 95 3.612 4.474 -16.430 1.00 0.00 H new ATOM 0 HA TYR A 95 5.572 2.484 -17.051 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.377 2.865 -14.999 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.317 1.387 -15.054 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.522 4.051 -16.019 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.495 2.371 -12.673 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.283 4.912 -14.531 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.246 3.188 -11.182 1.00 0.00 H new ATOM 0 HH TYR A 95 8.748 3.645 -11.373 1.00 0.00 H new ATOM 1530 N SER A 96 2.512 1.897 -17.957 1.00 0.00 N ATOM 1531 CA SER A 96 1.761 0.888 -18.715 1.00 0.00 C ATOM 1532 C SER A 96 2.485 0.480 -20.011 1.00 0.00 C ATOM 1533 O SER A 96 2.358 -0.646 -20.472 1.00 0.00 O ATOM 1534 CB SER A 96 0.331 1.399 -19.071 1.00 0.00 C ATOM 1535 OG SER A 96 -0.619 1.823 -18.019 1.00 0.00 O ATOM 0 H SER A 96 2.044 2.789 -17.795 1.00 0.00 H new ATOM 0 HA SER A 96 1.685 0.013 -18.069 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.455 2.245 -19.746 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.157 0.607 -19.639 1.00 0.00 H new ATOM 0 HG SER A 96 -0.124 2.220 -17.272 1.00 0.00 H new ATOM 1541 N LYS A 97 3.247 1.453 -20.556 1.00 0.00 N ATOM 1542 CA LYS A 97 3.987 1.200 -21.792 1.00 0.00 C ATOM 1543 C LYS A 97 5.471 0.862 -21.540 1.00 0.00 C ATOM 1544 O LYS A 97 6.076 0.114 -22.302 1.00 0.00 O ATOM 1545 CB LYS A 97 3.873 2.441 -22.697 1.00 0.00 C ATOM 1546 CG LYS A 97 2.502 2.619 -23.375 1.00 0.00 C ATOM 1547 CD LYS A 97 1.316 2.729 -22.403 1.00 0.00 C ATOM 1548 CE LYS A 97 0.040 3.260 -23.058 1.00 0.00 C ATOM 1549 NZ LYS A 97 0.136 4.683 -23.359 1.00 0.00 N ATOM 0 H LYS A 97 3.359 2.390 -20.168 1.00 0.00 H new ATOM 0 HA LYS A 97 3.548 0.327 -22.275 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.087 3.329 -22.102 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.640 2.383 -23.469 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.531 3.516 -23.994 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.330 1.775 -24.043 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.114 1.747 -21.975 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.592 3.385 -21.578 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.154 2.707 -23.977 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.808 3.085 -22.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.794 5.038 -23.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.446 5.197 -22.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.825 4.830 -24.124 1.00 0.00 H new ATOM 1563 N LYS A 98 6.016 1.424 -20.442 1.00 0.00 N ATOM 1564 CA LYS A 98 7.404 1.192 -20.096 1.00 0.00 C ATOM 1565 C LYS A 98 7.560 1.425 -18.583 1.00 0.00 C ATOM 1566 O LYS A 98 7.541 2.557 -18.118 1.00 0.00 O ATOM 1567 CB LYS A 98 8.242 2.207 -20.889 1.00 0.00 C ATOM 1568 CG LYS A 98 9.620 1.666 -21.220 1.00 0.00 C ATOM 1569 CD LYS A 98 10.510 1.356 -20.023 1.00 0.00 C ATOM 1570 CE LYS A 98 11.859 0.785 -20.445 1.00 0.00 C ATOM 1571 NZ LYS A 98 12.705 1.762 -21.127 1.00 0.00 N ATOM 0 H LYS A 98 5.511 2.032 -19.797 1.00 0.00 H new ATOM 0 HA LYS A 98 7.728 0.179 -20.334 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.722 2.465 -21.812 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.342 3.126 -20.311 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.502 0.756 -21.808 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.133 2.390 -21.853 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.667 2.266 -19.443 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.004 0.645 -19.370 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.381 0.413 -19.564 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.696 -0.068 -21.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 13.638 1.343 -21.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.262 2.036 -22.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.818 2.603 -20.526 1.00 0.00 H new ATOM 1585 N GLY A 99 7.761 0.296 -17.859 1.00 0.00 N ATOM 1586 CA GLY A 99 7.936 0.303 -16.400 1.00 0.00 C ATOM 1587 C GLY A 99 8.971 1.325 -15.878 1.00 0.00 C ATOM 1588 O GLY A 99 8.924 1.764 -14.738 1.00 0.00 O ATOM 0 H GLY A 99 7.805 -0.635 -18.274 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.973 0.511 -15.933 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.237 -0.694 -16.079 1.00 0.00 H new ATOM 1592 N ASP A 100 9.912 1.634 -16.797 1.00 0.00 N ATOM 1593 CA ASP A 100 11.014 2.593 -16.681 1.00 0.00 C ATOM 1594 C ASP A 100 11.683 2.638 -15.293 1.00 0.00 C ATOM 1595 O ASP A 100 12.036 3.690 -14.778 1.00 0.00 O ATOM 1596 CB ASP A 100 10.514 3.983 -17.124 1.00 0.00 C ATOM 1597 CG ASP A 100 11.689 4.902 -17.507 1.00 0.00 C ATOM 1598 OD1 ASP A 100 12.408 4.566 -18.447 1.00 0.00 O ATOM 1599 OD2 ASP A 100 11.883 5.928 -16.853 1.00 0.00 O ATOM 0 H ASP A 100 9.914 1.178 -17.710 1.00 0.00 H new ATOM 0 HA ASP A 100 11.810 2.251 -17.343 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.841 3.876 -17.974 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.940 4.440 -16.318 1.00 0.00 H new ATOM 1604 N GLY A 101 11.850 1.429 -14.740 1.00 0.00 N ATOM 1605 CA GLY A 101 12.469 1.316 -13.420 1.00 0.00 C ATOM 1606 C GLY A 101 11.821 0.237 -12.559 1.00 0.00 C ATOM 1607 O GLY A 101 12.431 -0.296 -11.642 1.00 0.00 O ATOM 0 H GLY A 101 11.575 0.546 -15.171 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.529 1.093 -13.538 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.400 2.275 -12.907 1.00 0.00 H new ATOM 1611 N LEU A 102 10.554 -0.055 -12.916 1.00 0.00 N ATOM 1612 CA LEU A 102 9.794 -1.058 -12.188 1.00 0.00 C ATOM 1613 C LEU A 102 10.345 -2.472 -12.425 1.00 0.00 C ATOM 1614 O LEU A 102 10.411 -3.273 -11.503 1.00 0.00 O ATOM 1615 CB LEU A 102 8.316 -1.006 -12.624 1.00 0.00 C ATOM 1616 CG LEU A 102 7.494 0.154 -12.045 1.00 0.00 C ATOM 1617 CD1 LEU A 102 6.004 -0.185 -12.115 1.00 0.00 C ATOM 1618 CD2 LEU A 102 7.853 0.508 -10.592 1.00 0.00 C ATOM 0 H LEU A 102 10.055 0.386 -13.689 1.00 0.00 H new ATOM 0 HA LEU A 102 9.881 -0.835 -11.125 1.00 0.00 H new ATOM 0 HB2 LEU A 102 8.279 -0.947 -13.712 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.839 -1.944 -12.339 1.00 0.00 H new ATOM 0 HG LEU A 102 7.733 1.026 -12.654 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.423 0.640 -11.703 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.716 -0.348 -13.154 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.809 -1.089 -11.538 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.230 1.336 -10.255 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.682 -0.359 -9.953 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.902 0.798 -10.537 1.00 0.00 H new ATOM 1630 N CYS A 103 10.707 -2.720 -13.705 1.00 0.00 N ATOM 1631 CA CYS A 103 11.232 -4.002 -14.204 1.00 0.00 C ATOM 1632 C CYS A 103 10.089 -4.858 -14.794 1.00 0.00 C ATOM 1633 O CYS A 103 10.249 -5.595 -15.758 1.00 0.00 O ATOM 1634 CB CYS A 103 12.066 -4.806 -13.183 1.00 0.00 C ATOM 1635 SG CYS A 103 11.143 -5.967 -12.136 1.00 0.00 S ATOM 0 H CYS A 103 10.638 -2.011 -14.435 1.00 0.00 H new ATOM 0 HA CYS A 103 11.940 -3.742 -14.991 1.00 0.00 H new ATOM 0 HB2 CYS A 103 12.828 -5.365 -13.726 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.589 -4.101 -12.536 1.00 0.00 H new ATOM 0 HG CYS A 103 10.361 -5.303 -11.337 1.00 0.00 H new ATOM 1641 N GLN A 104 8.936 -4.682 -14.124 1.00 0.00 N ATOM 1642 CA GLN A 104 7.663 -5.296 -14.413 1.00 0.00 C ATOM 1643 C GLN A 104 6.736 -4.103 -14.535 1.00 0.00 C ATOM 1644 O GLN A 104 6.316 -3.487 -13.563 1.00 0.00 O ATOM 1645 CB GLN A 104 7.214 -6.210 -13.260 1.00 0.00 C ATOM 1646 CG GLN A 104 7.847 -7.603 -13.317 1.00 0.00 C ATOM 1647 CD GLN A 104 7.267 -8.423 -14.480 1.00 0.00 C ATOM 1648 OE1 GLN A 104 6.292 -8.047 -15.119 1.00 0.00 O ATOM 1649 NE2 GLN A 104 7.932 -9.564 -14.711 1.00 0.00 N ATOM 0 H GLN A 104 8.884 -4.062 -13.315 1.00 0.00 H new ATOM 0 HA GLN A 104 7.684 -5.928 -15.301 1.00 0.00 H new ATOM 0 HB2 GLN A 104 7.470 -5.740 -12.311 1.00 0.00 H new ATOM 0 HB3 GLN A 104 6.129 -6.309 -13.284 1.00 0.00 H new ATOM 0 HG2 GLN A 104 8.927 -7.511 -13.435 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.672 -8.125 -12.376 1.00 0.00 H new ATOM 0 HE21 GLN A 104 8.737 -9.811 -14.135 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.633 -10.185 -15.463 1.00 0.00 H new ATOM 1658 N LYS A 105 6.500 -3.821 -15.821 1.00 0.00 N ATOM 1659 CA LYS A 105 5.669 -2.727 -16.279 1.00 0.00 C ATOM 1660 C LYS A 105 4.238 -2.859 -15.729 1.00 0.00 C ATOM 1661 O LYS A 105 3.971 -3.583 -14.780 1.00 0.00 O ATOM 1662 CB LYS A 105 5.814 -2.649 -17.808 1.00 0.00 C ATOM 1663 CG LYS A 105 4.821 -3.485 -18.636 1.00 0.00 C ATOM 1664 CD LYS A 105 5.339 -3.755 -20.049 1.00 0.00 C ATOM 1665 CE LYS A 105 5.232 -2.492 -20.893 1.00 0.00 C ATOM 1666 NZ LYS A 105 5.698 -2.678 -22.265 1.00 0.00 N ATOM 0 H LYS A 105 6.897 -4.368 -16.584 1.00 0.00 H new ATOM 0 HA LYS A 105 5.989 -1.761 -15.887 1.00 0.00 H new ATOM 0 HB2 LYS A 105 5.714 -1.606 -18.107 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.825 -2.961 -18.071 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.635 -4.433 -18.131 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.866 -2.962 -18.694 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.376 -4.088 -20.008 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.764 -4.559 -20.508 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.194 -2.161 -20.910 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.812 -1.698 -20.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.955 -1.756 -22.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.530 -3.302 -22.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.941 -3.109 -22.833 1.00 0.00 H new ATOM 1680 N LEU A 106 3.334 -2.132 -16.392 1.00 0.00 N ATOM 1681 CA LEU A 106 1.958 -2.117 -15.920 1.00 0.00 C ATOM 1682 C LEU A 106 0.922 -2.464 -17.014 1.00 0.00 C ATOM 1683 O LEU A 106 1.170 -2.331 -18.203 1.00 0.00 O ATOM 1684 CB LEU A 106 1.810 -0.726 -15.290 1.00 0.00 C ATOM 1685 CG LEU A 106 2.567 -0.478 -13.960 1.00 0.00 C ATOM 1686 CD1 LEU A 106 2.053 0.815 -13.329 1.00 0.00 C ATOM 1687 CD2 LEU A 106 2.555 -1.591 -12.880 1.00 0.00 C ATOM 0 H LEU A 106 3.523 -1.570 -17.222 1.00 0.00 H new ATOM 0 HA LEU A 106 1.748 -2.902 -15.194 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.147 0.014 -16.016 1.00 0.00 H new ATOM 0 HB3 LEU A 106 0.750 -0.542 -15.117 1.00 0.00 H new ATOM 0 HG LEU A 106 3.610 -0.439 -14.275 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.580 0.997 -12.393 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.227 1.647 -14.011 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.985 0.724 -13.132 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.128 -1.263 -12.013 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.527 -1.795 -12.580 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.001 -2.498 -13.287 1.00 0.00 H new ATOM 1699 N THR A 107 -0.241 -2.962 -16.509 1.00 0.00 N ATOM 1700 CA THR A 107 -1.374 -3.382 -17.340 1.00 0.00 C ATOM 1701 C THR A 107 -2.742 -3.079 -16.685 1.00 0.00 C ATOM 1702 O THR A 107 -3.352 -2.056 -16.972 1.00 0.00 O ATOM 1703 CB THR A 107 -1.290 -4.861 -17.863 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.846 -5.996 -17.116 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.136 -5.161 -18.401 1.00 0.00 C ATOM 0 H THR A 107 -0.406 -3.078 -15.509 1.00 0.00 H new ATOM 0 HA THR A 107 -1.295 -2.759 -18.231 1.00 0.00 H new ATOM 0 HB THR A 107 -2.053 -4.822 -18.641 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.130 -6.632 -16.906 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.180 -6.189 -18.760 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.367 -4.480 -19.220 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.863 -5.025 -17.600 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.203 -4.009 -15.811 1.00 0.00 N ATOM 1714 CA LEU A 108 -4.534 -3.850 -15.191 1.00 0.00 C ATOM 1715 C LEU A 108 -4.427 -3.340 -13.735 1.00 0.00 C ATOM 1716 O LEU A 108 -3.334 -3.215 -13.213 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.236 -5.222 -15.251 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.437 -5.720 -16.700 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -5.160 -7.221 -16.873 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.846 -5.366 -17.194 1.00 0.00 C ATOM 0 H LEU A 108 -2.692 -4.846 -15.530 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.112 -3.101 -15.733 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.647 -5.953 -14.697 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.205 -5.153 -14.756 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.697 -5.204 -17.312 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.320 -7.503 -17.914 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.128 -7.435 -16.594 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -5.835 -7.791 -16.235 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.974 -5.723 -18.216 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.587 -5.839 -16.549 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.980 -4.285 -17.168 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.584 -3.014 -13.082 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.584 -2.579 -11.684 1.00 0.00 C ATOM 1734 C PRO A 109 -6.161 -3.661 -10.737 1.00 0.00 C ATOM 1735 O PRO A 109 -6.588 -3.377 -9.623 1.00 0.00 O ATOM 1736 CB PRO A 109 -6.496 -1.369 -11.722 1.00 0.00 C ATOM 1737 CG PRO A 109 -7.551 -1.713 -12.777 1.00 0.00 C ATOM 1738 CD PRO A 109 -6.883 -2.745 -13.715 1.00 0.00 C ATOM 0 HA PRO A 109 -4.582 -2.376 -11.305 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -6.953 -1.186 -10.749 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -5.946 -0.467 -11.990 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.447 -2.127 -12.314 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -7.858 -0.824 -13.328 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -7.481 -3.652 -13.800 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -6.761 -2.348 -14.723 1.00 0.00 H new ATOM 1746 N CYS A 110 -6.177 -4.903 -11.289 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.657 -6.119 -10.623 1.00 0.00 C ATOM 1748 C CYS A 110 -8.166 -6.365 -10.822 1.00 0.00 C ATOM 1749 O CYS A 110 -8.876 -6.728 -9.892 1.00 0.00 O ATOM 1750 CB CYS A 110 -6.265 -6.175 -9.136 1.00 0.00 C ATOM 1751 SG CYS A 110 -6.434 -7.814 -8.395 1.00 0.00 S ATOM 0 H CYS A 110 -5.844 -5.079 -12.237 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.142 -6.941 -11.121 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -5.232 -5.844 -9.030 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -6.884 -5.470 -8.581 1.00 0.00 H new ATOM 0 HG CYS A 110 -5.672 -8.657 -9.027 1.00 0.00 H new ATOM 1757 N VAL A 111 -8.598 -6.151 -12.088 1.00 0.00 N ATOM 1758 CA VAL A 111 -9.988 -6.326 -12.519 1.00 0.00 C ATOM 1759 C VAL A 111 -10.910 -5.484 -11.600 1.00 0.00 C ATOM 1760 O VAL A 111 -10.574 -4.349 -11.284 1.00 0.00 O ATOM 1761 CB VAL A 111 -10.330 -7.826 -12.764 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -10.322 -8.739 -11.524 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -11.618 -8.015 -13.589 1.00 0.00 C ATOM 0 H VAL A 111 -7.978 -5.849 -12.839 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.171 -5.917 -13.513 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.482 -8.169 -13.357 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.574 -9.757 -11.820 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.331 -8.728 -11.071 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -11.055 -8.379 -10.802 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.808 -9.079 -13.729 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.458 -7.563 -13.061 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.501 -7.536 -14.561 1.00 0.00 H new