USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 614 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 52 GLN :FLIP amide:sc= -2.08 F(o=-4!,f=-2.1) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 47 HIS : no HD1:sc= 0.0249 K(o=0.068,f=-1.9) USER MOD Set 2.2: A 48 SER OG : rot 65:sc= 0.0432 USER MOD Single : A 11 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.604) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.418 F(o=-0.99,f=-0.42) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -1.74 USER MOD Single : A 20 TYR OH : rot 110:sc= 0.104 USER MOD Single : A 21 TYR OH : rot 30:sc= 0.247 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -99:sc= -0.209 (180deg=-1.62) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 45 SER OG : rot -109:sc= 1.48 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -0.626 K(o=-0.63,f=-1.6!) USER MOD Single : A 64 SER OG : rot -100:sc= -0.194 USER MOD Single : A 70 ASN : amide:sc= -0.0225 X(o=-0.023,f=-0.33) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0.0648 K(o=0.065,f=-3.7!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.824 USER MOD Single : A 89 ASN : amide:sc= -3.27! C(o=-3.3!,f=-3.9!) USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.628 -2.072 6.216 1.00 0.00 N ATOM 135 CA LYS A 11 -9.077 -0.876 5.592 1.00 0.00 C ATOM 136 C LYS A 11 -8.493 -1.220 4.229 1.00 0.00 C ATOM 137 O LYS A 11 -9.044 -0.843 3.195 1.00 0.00 O ATOM 138 CB LYS A 11 -7.999 -0.260 6.485 1.00 0.00 C ATOM 139 CG LYS A 11 -8.478 0.039 7.896 1.00 0.00 C ATOM 140 CD LYS A 11 -7.421 -0.315 8.929 1.00 0.00 C ATOM 141 CE LYS A 11 -8.049 -0.714 10.255 1.00 0.00 C ATOM 142 NZ LYS A 11 -7.195 -0.328 11.413 1.00 0.00 N ATOM 0 HA LYS A 11 -9.879 -0.149 5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.148 -0.939 6.535 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.643 0.663 6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.730 1.096 7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.389 -0.523 8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.806 -1.134 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.759 0.538 9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.026 -0.241 10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.214 -1.791 10.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.252 -1.063 12.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.209 -0.228 11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.528 0.577 11.803 1.00 0.00 H new ATOM 155 N TRP A 12 -7.380 -1.950 4.243 1.00 0.00 N ATOM 156 CA TRP A 12 -6.711 -2.374 3.015 1.00 0.00 C ATOM 157 C TRP A 12 -7.742 -2.806 1.971 1.00 0.00 C ATOM 158 O TRP A 12 -8.703 -3.505 2.295 1.00 0.00 O ATOM 159 CB TRP A 12 -5.739 -3.532 3.294 1.00 0.00 C ATOM 160 CG TRP A 12 -4.952 -3.409 4.574 1.00 0.00 C ATOM 161 CD1 TRP A 12 -4.878 -2.328 5.409 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.116 -4.416 5.160 1.00 0.00 C ATOM 163 NE1 TRP A 12 -4.061 -2.605 6.476 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.578 -3.880 6.346 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.773 -5.722 4.797 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.718 -4.603 7.168 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.919 -6.438 5.614 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.400 -5.878 6.787 1.00 0.00 C ATOM 0 H TRP A 12 -6.920 -2.262 5.098 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.143 -1.527 2.630 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.305 -4.463 3.321 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.040 -3.608 2.461 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.390 -1.390 5.251 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.848 -1.965 7.241 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.169 -6.163 3.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.316 -4.173 8.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.647 -7.447 5.343 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.735 -6.464 7.404 1.00 0.00 H new ATOM 179 N ILE A 13 -7.555 -2.371 0.727 1.00 0.00 N ATOM 180 CA ILE A 13 -8.494 -2.705 -0.344 1.00 0.00 C ATOM 181 C ILE A 13 -7.793 -3.226 -1.598 1.00 0.00 C ATOM 182 O ILE A 13 -6.901 -2.576 -2.137 1.00 0.00 O ATOM 183 CB ILE A 13 -9.351 -1.482 -0.733 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.110 -0.322 0.247 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.820 -1.874 -0.778 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.370 0.394 0.697 1.00 0.00 C ATOM 0 H ILE A 13 -6.768 -1.791 0.436 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.129 -3.497 0.053 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.058 -1.140 -1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.593 -0.707 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.444 0.402 -0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.420 -1.006 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.964 -2.663 -1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.131 -2.234 0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.106 1.197 1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.880 0.813 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.030 -0.313 1.199 1.00 0.00 H new ATOM 198 N ASN A 14 -8.220 -4.397 -2.066 1.00 0.00 N ATOM 199 CA ASN A 14 -7.647 -5.009 -3.265 1.00 0.00 C ATOM 200 C ASN A 14 -8.581 -4.842 -4.462 1.00 0.00 C ATOM 201 O ASN A 14 -9.798 -4.744 -4.301 1.00 0.00 O ATOM 202 CB ASN A 14 -7.365 -6.494 -3.025 1.00 0.00 C ATOM 203 CG ASN A 14 -6.983 -7.224 -4.298 1.00 0.00 C ATOM 204 OD1 ASN A 14 -5.773 -6.974 -4.783 1.00 0.00 O flip ATOM 205 ND2 ASN A 14 -7.767 -8.004 -4.839 1.00 0.00 N flip ATOM 0 H ASN A 14 -8.964 -4.944 -1.632 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.708 -4.501 -3.486 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.561 -6.595 -2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.248 -6.963 -2.592 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.688 -8.166 -4.431 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.496 -8.488 -5.695 1.00 0.00 H new ATOM 212 N PHE A 15 -8.005 -4.804 -5.661 1.00 0.00 N ATOM 213 CA PHE A 15 -8.788 -4.641 -6.882 1.00 0.00 C ATOM 214 C PHE A 15 -8.432 -5.723 -7.904 1.00 0.00 C ATOM 215 O PHE A 15 -8.408 -6.909 -7.575 1.00 0.00 O ATOM 216 CB PHE A 15 -8.557 -3.248 -7.474 1.00 0.00 C ATOM 217 CG PHE A 15 -8.422 -2.169 -6.439 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.541 -1.529 -5.932 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.172 -1.797 -5.971 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.416 -0.536 -4.980 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.040 -0.805 -5.020 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.164 -0.174 -4.523 1.00 0.00 C ATOM 0 H PHE A 15 -6.999 -4.884 -5.813 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.844 -4.746 -6.632 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.655 -3.268 -8.086 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.387 -3.002 -8.137 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.522 -1.810 -6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.290 -2.289 -6.355 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.296 -0.043 -4.594 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.060 -0.523 -4.665 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.064 0.601 -3.778 1.00 0.00 H new ATOM 232 N GLN A 16 -8.160 -5.309 -9.142 1.00 0.00 N ATOM 233 CA GLN A 16 -7.807 -6.245 -10.205 1.00 0.00 C ATOM 234 C GLN A 16 -6.729 -7.218 -9.741 1.00 0.00 C ATOM 235 O GLN A 16 -6.842 -8.427 -9.945 1.00 0.00 O ATOM 236 CB GLN A 16 -7.327 -5.488 -11.445 1.00 0.00 C ATOM 237 CG GLN A 16 -6.378 -4.343 -11.128 1.00 0.00 C ATOM 238 CD GLN A 16 -6.403 -3.257 -12.186 1.00 0.00 C ATOM 239 OE1 GLN A 16 -5.973 -3.469 -13.320 1.00 0.00 O ATOM 240 NE2 GLN A 16 -6.907 -2.085 -11.820 1.00 0.00 N ATOM 0 H GLN A 16 -8.178 -4.331 -9.431 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.700 -6.816 -10.460 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.829 -6.187 -12.117 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.192 -5.095 -11.978 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.644 -3.912 -10.163 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.364 -4.731 -11.035 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.252 -1.953 -10.869 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.949 -1.316 -12.489 1.00 0.00 H new ATOM 249 N ARG A 17 -5.686 -6.685 -9.110 1.00 0.00 N ATOM 250 CA ARG A 17 -4.594 -7.515 -8.614 1.00 0.00 C ATOM 251 C ARG A 17 -3.706 -6.739 -7.647 1.00 0.00 C ATOM 252 O ARG A 17 -2.750 -7.283 -7.095 1.00 0.00 O ATOM 253 CB ARG A 17 -3.758 -8.049 -9.778 1.00 0.00 C ATOM 254 CG ARG A 17 -3.721 -9.567 -9.853 1.00 0.00 C ATOM 255 CD ARG A 17 -2.653 -10.145 -8.938 1.00 0.00 C ATOM 256 NE ARG A 17 -1.602 -10.828 -9.689 1.00 0.00 N ATOM 257 CZ ARG A 17 -0.405 -11.113 -9.187 1.00 0.00 C ATOM 258 NH1 ARG A 17 -0.106 -10.774 -7.940 1.00 0.00 N ATOM 259 NH2 ARG A 17 0.497 -11.737 -9.933 1.00 0.00 N ATOM 0 H ARG A 17 -5.575 -5.687 -8.931 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.032 -8.355 -8.075 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.159 -7.657 -10.713 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.739 -7.673 -9.686 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.695 -9.970 -9.576 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.528 -9.877 -10.880 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.212 -9.345 -8.344 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.113 -10.844 -8.240 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.798 -11.101 -10.652 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.796 -10.293 -7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.814 -10.994 -7.558 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.272 -11.999 -10.893 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.415 -11.955 -9.547 1.00 0.00 H new ATOM 273 N LYS A 18 -4.037 -5.471 -7.435 1.00 0.00 N ATOM 274 CA LYS A 18 -3.285 -4.627 -6.530 1.00 0.00 C ATOM 275 C LYS A 18 -4.144 -4.259 -5.334 1.00 0.00 C ATOM 276 O LYS A 18 -5.370 -4.289 -5.407 1.00 0.00 O ATOM 277 CB LYS A 18 -2.819 -3.363 -7.247 1.00 0.00 C ATOM 278 CG LYS A 18 -3.908 -2.314 -7.379 1.00 0.00 C ATOM 279 CD LYS A 18 -3.747 -1.500 -8.652 1.00 0.00 C ATOM 280 CE LYS A 18 -3.747 -0.008 -8.363 1.00 0.00 C ATOM 281 NZ LYS A 18 -4.600 0.745 -9.324 1.00 0.00 N ATOM 0 H LYS A 18 -4.827 -5.007 -7.883 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.408 -5.175 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.976 -2.936 -6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.457 -3.629 -8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.884 -2.799 -7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.881 -1.650 -6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.815 -1.776 -9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.556 -1.738 -9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.105 0.165 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.726 0.371 -8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.573 1.758 -9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.244 0.601 -10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.580 0.402 -9.261 1.00 0.00 H new ATOM 294 N CYS A 19 -3.501 -3.916 -4.236 1.00 0.00 N ATOM 295 CA CYS A 19 -4.211 -3.548 -3.027 1.00 0.00 C ATOM 296 C CYS A 19 -3.737 -2.201 -2.507 1.00 0.00 C ATOM 297 O CYS A 19 -2.675 -1.706 -2.887 1.00 0.00 O ATOM 298 CB CYS A 19 -4.029 -4.626 -1.953 1.00 0.00 C ATOM 299 SG CYS A 19 -5.048 -4.382 -0.461 1.00 0.00 S ATOM 0 H CYS A 19 -2.485 -3.884 -4.156 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.271 -3.466 -3.268 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.268 -5.597 -2.386 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.979 -4.657 -1.660 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.822 -5.346 0.381 1.00 0.00 H new ATOM 304 N TYR A 20 -4.532 -1.631 -1.622 1.00 0.00 N ATOM 305 CA TYR A 20 -4.230 -0.355 -1.009 1.00 0.00 C ATOM 306 C TYR A 20 -4.247 -0.522 0.493 1.00 0.00 C ATOM 307 O TYR A 20 -4.908 -1.409 1.026 1.00 0.00 O ATOM 308 CB TYR A 20 -5.242 0.723 -1.424 1.00 0.00 C ATOM 309 CG TYR A 20 -4.901 1.440 -2.713 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.252 0.789 -3.755 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.232 2.779 -2.885 1.00 0.00 C ATOM 312 CE1 TYR A 20 -3.943 1.450 -4.929 1.00 0.00 C ATOM 313 CE2 TYR A 20 -4.926 3.447 -4.054 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.283 2.779 -5.074 1.00 0.00 C ATOM 315 OH TYR A 20 -3.977 3.440 -6.240 1.00 0.00 O ATOM 0 H TYR A 20 -5.410 -2.044 -1.307 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.245 -0.030 -1.345 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.224 0.261 -1.529 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.319 1.458 -0.623 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.984 -0.252 -3.646 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.738 3.306 -2.090 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.438 0.929 -5.729 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.189 4.488 -4.169 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.801 3.624 -6.738 1.00 0.00 H new ATOM 325 N TYR A 21 -3.508 0.326 1.158 1.00 0.00 N ATOM 326 CA TYR A 21 -3.411 0.292 2.602 1.00 0.00 C ATOM 327 C TYR A 21 -3.996 1.551 3.184 1.00 0.00 C ATOM 328 O TYR A 21 -3.493 2.628 2.934 1.00 0.00 O ATOM 329 CB TYR A 21 -1.948 0.188 3.037 1.00 0.00 C ATOM 330 CG TYR A 21 -1.409 -1.218 3.069 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.562 -2.007 4.196 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.737 -1.750 1.977 1.00 0.00 C ATOM 333 CE1 TYR A 21 -1.065 -3.291 4.239 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.234 -3.036 2.008 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.400 -3.804 3.143 1.00 0.00 C ATOM 336 OH TYR A 21 0.099 -5.085 3.182 1.00 0.00 O ATOM 0 H TYR A 21 -2.955 1.061 0.719 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.961 -0.578 2.961 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.336 0.784 2.359 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.844 0.627 4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.080 -1.609 5.056 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.605 -1.149 1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.195 -3.894 5.126 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.285 -3.438 1.151 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.459 -5.636 3.770 1.00 0.00 H new ATOM 346 N PHE A 22 -5.043 1.420 3.970 1.00 0.00 N ATOM 347 CA PHE A 22 -5.652 2.573 4.598 1.00 0.00 C ATOM 348 C PHE A 22 -5.728 2.322 6.095 1.00 0.00 C ATOM 349 O PHE A 22 -6.793 2.416 6.705 1.00 0.00 O ATOM 350 CB PHE A 22 -7.053 2.836 4.028 1.00 0.00 C ATOM 351 CG PHE A 22 -7.091 3.123 2.546 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.015 3.709 1.903 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.217 2.811 1.797 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.054 3.976 0.547 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.266 3.079 0.439 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.180 3.663 -0.187 1.00 0.00 C ATOM 0 H PHE A 22 -5.489 0.529 4.189 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.046 3.457 4.397 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.681 1.969 4.232 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.493 3.680 4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.131 3.962 2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.067 2.353 2.280 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.203 4.430 0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.150 2.832 -0.130 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.213 3.873 -1.246 1.00 0.00 H new ATOM 366 N GLY A 23 -4.582 1.973 6.676 1.00 0.00 N ATOM 367 CA GLY A 23 -4.526 1.674 8.090 1.00 0.00 C ATOM 368 C GLY A 23 -4.272 2.906 8.938 1.00 0.00 C ATOM 369 O GLY A 23 -4.157 4.012 8.411 1.00 0.00 O ATOM 0 H GLY A 23 -3.690 1.893 6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.465 1.213 8.397 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.738 0.944 8.272 1.00 0.00 H new ATOM 373 N LYS A 24 -4.189 2.717 10.252 1.00 0.00 N ATOM 374 CA LYS A 24 -3.953 3.828 11.169 1.00 0.00 C ATOM 375 C LYS A 24 -2.762 3.547 12.080 1.00 0.00 C ATOM 376 O LYS A 24 -2.595 2.432 12.575 1.00 0.00 O ATOM 377 CB LYS A 24 -5.201 4.097 12.010 1.00 0.00 C ATOM 378 CG LYS A 24 -5.777 2.849 12.660 1.00 0.00 C ATOM 379 CD LYS A 24 -7.158 3.109 13.240 1.00 0.00 C ATOM 380 CE LYS A 24 -7.201 2.814 14.731 1.00 0.00 C ATOM 381 NZ LYS A 24 -8.171 1.733 15.056 1.00 0.00 N ATOM 0 H LYS A 24 -4.281 1.808 10.705 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.726 4.712 10.573 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.956 4.821 12.787 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.964 4.553 11.378 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.836 2.048 11.923 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.108 2.507 13.450 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.437 4.148 13.065 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.893 2.491 12.724 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.207 2.524 15.072 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.473 3.720 15.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.170 1.562 16.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.124 2.019 14.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.898 0.861 14.560 1.00 0.00 H new ATOM 436 N GLN A 28 4.070 11.401 10.526 1.00 0.00 N ATOM 437 CA GLN A 28 4.153 12.372 9.442 1.00 0.00 C ATOM 438 C GLN A 28 4.168 11.670 8.088 1.00 0.00 C ATOM 439 O GLN A 28 3.846 10.486 7.991 1.00 0.00 O ATOM 440 CB GLN A 28 5.406 13.237 9.597 1.00 0.00 C ATOM 441 CG GLN A 28 5.582 13.807 10.996 1.00 0.00 C ATOM 442 CD GLN A 28 6.286 15.151 10.993 1.00 0.00 C ATOM 443 OE1 GLN A 28 7.091 15.441 10.108 1.00 0.00 O ATOM 444 NE2 GLN A 28 5.986 15.978 11.988 1.00 0.00 N ATOM 0 HA GLN A 28 3.272 13.012 9.491 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.283 12.641 9.343 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.361 14.058 8.882 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.605 13.914 11.467 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.152 13.103 11.602 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.313 15.696 12.700 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.429 16.895 12.040 1.00 0.00 H new ATOM 453 N TRP A 29 4.540 12.408 7.047 1.00 0.00 N ATOM 454 CA TRP A 29 4.592 11.851 5.701 1.00 0.00 C ATOM 455 C TRP A 29 5.674 10.786 5.587 1.00 0.00 C ATOM 456 O TRP A 29 5.429 9.689 5.085 1.00 0.00 O ATOM 457 CB TRP A 29 4.845 12.952 4.674 1.00 0.00 C ATOM 458 CG TRP A 29 4.818 12.442 3.270 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.725 12.322 2.464 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.934 11.966 2.511 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.091 11.800 1.249 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.443 11.576 1.251 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.301 11.834 2.772 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.269 11.062 0.256 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.121 11.324 1.784 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.603 10.943 0.538 1.00 0.00 C ATOM 0 H TRP A 29 4.809 13.390 7.110 1.00 0.00 H new ATOM 0 HA TRP A 29 3.626 11.387 5.499 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.092 13.731 4.789 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.813 13.413 4.871 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.718 12.598 2.741 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.460 11.610 0.471 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.709 12.125 3.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.872 10.768 -0.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.179 11.217 1.975 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.270 10.548 -0.214 1.00 0.00 H new ATOM 477 N VAL A 30 6.870 11.119 6.052 1.00 0.00 N ATOM 478 CA VAL A 30 7.997 10.194 6.005 1.00 0.00 C ATOM 479 C VAL A 30 7.643 8.881 6.684 1.00 0.00 C ATOM 480 O VAL A 30 8.124 7.816 6.299 1.00 0.00 O ATOM 481 CB VAL A 30 9.242 10.792 6.680 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.915 11.790 5.757 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.866 11.450 7.998 1.00 0.00 C ATOM 0 H VAL A 30 7.087 12.025 6.467 1.00 0.00 H new ATOM 0 HA VAL A 30 8.221 10.012 4.954 1.00 0.00 H new ATOM 0 HB VAL A 30 9.946 9.986 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.795 12.205 6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.216 11.289 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.218 12.594 5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.758 11.868 8.463 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.145 12.247 7.814 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.425 10.707 8.663 1.00 0.00 H new ATOM 493 N HIS A 31 6.790 8.966 7.693 1.00 0.00 N ATOM 494 CA HIS A 31 6.358 7.784 8.421 1.00 0.00 C ATOM 495 C HIS A 31 5.413 6.950 7.563 1.00 0.00 C ATOM 496 O HIS A 31 5.339 5.731 7.712 1.00 0.00 O ATOM 497 CB HIS A 31 5.670 8.182 9.728 1.00 0.00 C ATOM 498 CG HIS A 31 6.572 8.117 10.922 1.00 0.00 C ATOM 499 ND1 HIS A 31 6.500 7.114 11.866 1.00 0.00 N ATOM 500 CD2 HIS A 31 7.572 8.937 11.322 1.00 0.00 C ATOM 501 CE1 HIS A 31 7.416 7.321 12.796 1.00 0.00 C ATOM 502 NE2 HIS A 31 8.080 8.420 12.489 1.00 0.00 N ATOM 0 H HIS A 31 6.384 9.840 8.026 1.00 0.00 H new ATOM 0 HA HIS A 31 7.237 7.185 8.659 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.282 9.196 9.631 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.814 7.527 9.893 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.908 9.831 10.818 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.591 6.697 13.660 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.846 8.820 13.031 1.00 0.00 H new ATOM 511 N ALA A 32 4.696 7.614 6.655 1.00 0.00 N ATOM 512 CA ALA A 32 3.769 6.920 5.774 1.00 0.00 C ATOM 513 C ALA A 32 4.528 6.083 4.755 1.00 0.00 C ATOM 514 O ALA A 32 4.249 4.897 4.585 1.00 0.00 O ATOM 515 CB ALA A 32 2.861 7.916 5.072 1.00 0.00 C ATOM 0 H ALA A 32 4.742 8.623 6.514 1.00 0.00 H new ATOM 0 HA ALA A 32 3.152 6.253 6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.173 7.382 4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.293 8.477 5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.465 8.605 4.481 1.00 0.00 H new ATOM 521 N ARG A 33 5.508 6.700 4.101 1.00 0.00 N ATOM 522 CA ARG A 33 6.324 6.000 3.123 1.00 0.00 C ATOM 523 C ARG A 33 7.095 4.881 3.806 1.00 0.00 C ATOM 524 O ARG A 33 7.366 3.839 3.209 1.00 0.00 O ATOM 525 CB ARG A 33 7.290 6.964 2.429 1.00 0.00 C ATOM 526 CG ARG A 33 8.075 7.842 3.387 1.00 0.00 C ATOM 527 CD ARG A 33 9.512 7.366 3.531 1.00 0.00 C ATOM 528 NE ARG A 33 10.416 8.076 2.632 1.00 0.00 N ATOM 529 CZ ARG A 33 10.790 7.611 1.444 1.00 0.00 C ATOM 530 NH1 ARG A 33 10.339 6.442 1.012 1.00 0.00 N ATOM 531 NH2 ARG A 33 11.618 8.318 0.684 1.00 0.00 N ATOM 0 H ARG A 33 5.753 7.681 4.232 1.00 0.00 H new ATOM 0 HA ARG A 33 5.669 5.573 2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.989 6.388 1.823 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.726 7.600 1.747 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.066 8.871 3.029 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.591 7.840 4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.839 7.508 4.561 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.562 6.297 3.325 1.00 0.00 H new ATOM 0 HE ARG A 33 10.781 8.980 2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.702 5.895 1.592 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.629 6.089 0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.968 9.219 1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.905 7.961 -0.227 1.00 0.00 H new ATOM 545 N TYR A 34 7.426 5.102 5.075 1.00 0.00 N ATOM 546 CA TYR A 34 8.142 4.111 5.860 1.00 0.00 C ATOM 547 C TYR A 34 7.257 2.889 6.065 1.00 0.00 C ATOM 548 O TYR A 34 7.724 1.751 6.008 1.00 0.00 O ATOM 549 CB TYR A 34 8.559 4.714 7.207 1.00 0.00 C ATOM 550 CG TYR A 34 8.386 3.781 8.385 1.00 0.00 C ATOM 551 CD1 TYR A 34 9.345 2.826 8.690 1.00 0.00 C ATOM 552 CD2 TYR A 34 7.259 3.860 9.191 1.00 0.00 C ATOM 553 CE1 TYR A 34 9.185 1.974 9.767 1.00 0.00 C ATOM 554 CE2 TYR A 34 7.091 3.014 10.269 1.00 0.00 C ATOM 555 CZ TYR A 34 8.057 2.072 10.553 1.00 0.00 C ATOM 556 OH TYR A 34 7.894 1.227 11.627 1.00 0.00 O ATOM 0 H TYR A 34 7.208 5.961 5.579 1.00 0.00 H new ATOM 0 HA TYR A 34 9.043 3.805 5.329 1.00 0.00 H new ATOM 0 HB2 TYR A 34 9.604 5.017 7.148 1.00 0.00 H new ATOM 0 HB3 TYR A 34 7.975 5.617 7.384 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.230 2.747 8.077 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.500 4.596 8.971 1.00 0.00 H new ATOM 0 HE1 TYR A 34 9.940 1.235 9.991 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.208 3.090 10.886 1.00 0.00 H new ATOM 0 HH TYR A 34 7.047 1.429 12.076 1.00 0.00 H new ATOM 566 N ALA A 35 5.970 3.139 6.278 1.00 0.00 N ATOM 567 CA ALA A 35 5.007 2.066 6.464 1.00 0.00 C ATOM 568 C ALA A 35 4.885 1.262 5.180 1.00 0.00 C ATOM 569 O ALA A 35 4.747 0.039 5.207 1.00 0.00 O ATOM 570 CB ALA A 35 3.655 2.628 6.876 1.00 0.00 C ATOM 0 H ALA A 35 5.572 4.077 6.326 1.00 0.00 H new ATOM 0 HA ALA A 35 5.355 1.409 7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.947 1.810 7.011 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.759 3.176 7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.289 3.301 6.100 1.00 0.00 H new ATOM 576 N CYS A 36 4.958 1.966 4.053 1.00 0.00 N ATOM 577 CA CYS A 36 4.881 1.336 2.749 1.00 0.00 C ATOM 578 C CYS A 36 5.977 0.295 2.612 1.00 0.00 C ATOM 579 O CYS A 36 5.728 -0.841 2.213 1.00 0.00 O ATOM 580 CB CYS A 36 5.027 2.382 1.647 1.00 0.00 C ATOM 581 SG CYS A 36 4.035 3.885 1.907 1.00 0.00 S ATOM 0 H CYS A 36 5.071 2.979 4.023 1.00 0.00 H new ATOM 0 HA CYS A 36 3.909 0.852 2.652 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.077 2.663 1.566 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.742 1.933 0.695 1.00 0.00 H new ATOM 586 N ASP A 37 7.192 0.702 2.954 1.00 0.00 N ATOM 587 CA ASP A 37 8.342 -0.186 2.880 1.00 0.00 C ATOM 588 C ASP A 37 8.100 -1.441 3.712 1.00 0.00 C ATOM 589 O ASP A 37 8.480 -2.544 3.319 1.00 0.00 O ATOM 590 CB ASP A 37 9.603 0.532 3.369 1.00 0.00 C ATOM 591 CG ASP A 37 10.869 -0.056 2.776 1.00 0.00 C ATOM 592 OD1 ASP A 37 11.270 -1.157 3.207 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.458 0.586 1.881 1.00 0.00 O ATOM 0 H ASP A 37 7.406 1.643 3.286 1.00 0.00 H new ATOM 0 HA ASP A 37 8.485 -0.477 1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.540 1.589 3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.653 0.473 4.456 1.00 0.00 H new ATOM 598 N ASP A 38 7.460 -1.260 4.864 1.00 0.00 N ATOM 599 CA ASP A 38 7.157 -2.373 5.757 1.00 0.00 C ATOM 600 C ASP A 38 6.061 -3.260 5.172 1.00 0.00 C ATOM 601 O ASP A 38 5.934 -4.429 5.539 1.00 0.00 O ATOM 602 CB ASP A 38 6.727 -1.849 7.128 1.00 0.00 C ATOM 603 CG ASP A 38 7.878 -1.802 8.116 1.00 0.00 C ATOM 604 OD1 ASP A 38 8.708 -0.875 8.017 1.00 0.00 O ATOM 605 OD2 ASP A 38 7.948 -2.694 8.988 1.00 0.00 O ATOM 0 H ASP A 38 7.141 -0.352 5.201 1.00 0.00 H new ATOM 0 HA ASP A 38 8.061 -2.972 5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.306 -0.850 7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.936 -2.485 7.525 1.00 0.00 H new ATOM 610 N MET A 39 5.272 -2.697 4.259 1.00 0.00 N ATOM 611 CA MET A 39 4.189 -3.437 3.621 1.00 0.00 C ATOM 612 C MET A 39 4.609 -3.908 2.235 1.00 0.00 C ATOM 613 O MET A 39 3.889 -4.658 1.575 1.00 0.00 O ATOM 614 CB MET A 39 2.936 -2.565 3.521 1.00 0.00 C ATOM 615 CG MET A 39 2.416 -2.091 4.868 1.00 0.00 C ATOM 616 SD MET A 39 2.036 -3.454 5.986 1.00 0.00 S ATOM 617 CE MET A 39 3.106 -3.066 7.369 1.00 0.00 C ATOM 0 H MET A 39 5.364 -1.731 3.945 1.00 0.00 H new ATOM 0 HA MET A 39 3.962 -4.310 4.233 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.156 -1.697 2.900 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.151 -3.128 3.015 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.159 -1.442 5.332 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.519 -1.490 4.716 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.012 -3.668 7.308 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.370 -2.009 7.339 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.587 -3.284 8.303 1.00 0.00 H new ATOM 627 N GLU A 40 5.783 -3.456 1.808 1.00 0.00 N ATOM 628 CA GLU A 40 6.333 -3.813 0.503 1.00 0.00 C ATOM 629 C GLU A 40 5.493 -3.228 -0.623 1.00 0.00 C ATOM 630 O GLU A 40 5.140 -3.923 -1.578 1.00 0.00 O ATOM 631 CB GLU A 40 6.419 -5.331 0.355 1.00 0.00 C ATOM 632 CG GLU A 40 7.623 -5.945 1.049 1.00 0.00 C ATOM 633 CD GLU A 40 8.266 -7.050 0.233 1.00 0.00 C ATOM 634 OE1 GLU A 40 7.547 -7.989 -0.167 1.00 0.00 O ATOM 635 OE2 GLU A 40 9.489 -6.974 -0.007 1.00 0.00 O ATOM 0 H GLU A 40 6.379 -2.834 2.354 1.00 0.00 H new ATOM 0 HA GLU A 40 7.337 -3.393 0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.511 -5.779 0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.454 -5.582 -0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.361 -5.167 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.316 -6.344 2.016 1.00 0.00 H new ATOM 642 N GLY A 41 5.174 -1.946 -0.506 1.00 0.00 N ATOM 643 CA GLY A 41 4.377 -1.285 -1.519 1.00 0.00 C ATOM 644 C GLY A 41 4.949 0.047 -1.952 1.00 0.00 C ATOM 645 O GLY A 41 6.101 0.132 -2.379 1.00 0.00 O ATOM 0 H GLY A 41 5.454 -1.351 0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.293 -1.937 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.368 -1.133 -1.136 1.00 0.00 H new ATOM 649 N GLN A 42 4.129 1.082 -1.863 1.00 0.00 N ATOM 650 CA GLN A 42 4.523 2.425 -2.265 1.00 0.00 C ATOM 651 C GLN A 42 3.593 3.423 -1.622 1.00 0.00 C ATOM 652 O GLN A 42 2.489 3.065 -1.228 1.00 0.00 O ATOM 653 CB GLN A 42 4.443 2.573 -3.785 1.00 0.00 C ATOM 654 CG GLN A 42 4.670 3.997 -4.274 1.00 0.00 C ATOM 655 CD GLN A 42 4.417 4.151 -5.760 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.127 3.579 -6.586 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.399 4.931 -6.106 1.00 0.00 N ATOM 0 H GLN A 42 3.174 1.016 -1.511 1.00 0.00 H new ATOM 0 HA GLN A 42 5.550 2.604 -1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.183 1.918 -4.244 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.464 2.234 -4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.015 4.674 -3.726 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.695 4.295 -4.051 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.837 5.385 -5.386 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.179 5.075 -7.092 1.00 0.00 H new ATOM 666 N LEU A 43 3.996 4.676 -1.526 1.00 0.00 N ATOM 667 CA LEU A 43 3.101 5.635 -0.943 1.00 0.00 C ATOM 668 C LEU A 43 2.051 5.957 -1.993 1.00 0.00 C ATOM 669 O LEU A 43 2.344 6.534 -3.040 1.00 0.00 O ATOM 670 CB LEU A 43 3.871 6.894 -0.521 1.00 0.00 C ATOM 671 CG LEU A 43 3.298 7.692 0.661 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.603 6.794 1.662 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.402 8.476 1.347 1.00 0.00 C ATOM 0 H LEU A 43 4.900 5.036 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 43 2.627 5.238 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.891 6.601 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.933 7.559 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 43 2.555 8.383 0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.212 7.397 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.781 6.271 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.314 6.067 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.984 9.037 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.162 7.787 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.854 9.167 0.635 1.00 0.00 H new ATOM 685 N VAL A 44 0.834 5.529 -1.684 1.00 0.00 N ATOM 686 CA VAL A 44 -0.340 5.681 -2.542 1.00 0.00 C ATOM 687 C VAL A 44 -0.089 6.487 -3.807 1.00 0.00 C ATOM 688 O VAL A 44 -0.005 5.930 -4.903 1.00 0.00 O ATOM 689 CB VAL A 44 -1.495 6.321 -1.769 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.656 5.351 -1.668 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.026 6.756 -0.391 1.00 0.00 C ATOM 0 H VAL A 44 0.628 5.053 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.596 4.668 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.837 7.206 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.472 5.817 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.998 5.088 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.333 4.450 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.857 7.210 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.665 5.888 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.220 7.482 -0.494 1.00 0.00 H new ATOM 701 N SER A 45 -0.010 7.797 -3.648 1.00 0.00 N ATOM 702 CA SER A 45 0.189 8.699 -4.778 1.00 0.00 C ATOM 703 C SER A 45 -1.052 8.687 -5.664 1.00 0.00 C ATOM 704 O SER A 45 -0.979 8.405 -6.861 1.00 0.00 O ATOM 705 CB SER A 45 1.422 8.293 -5.588 1.00 0.00 C ATOM 706 OG SER A 45 2.430 9.284 -5.518 1.00 0.00 O ATOM 0 H SER A 45 -0.081 8.265 -2.744 1.00 0.00 H new ATOM 0 HA SER A 45 0.352 9.707 -4.398 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.812 7.347 -5.212 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.140 8.131 -6.628 1.00 0.00 H new ATOM 0 HG SER A 45 2.505 9.736 -6.384 1.00 0.00 H new ATOM 712 N ILE A 46 -2.195 8.979 -5.050 1.00 0.00 N ATOM 713 CA ILE A 46 -3.478 8.988 -5.753 1.00 0.00 C ATOM 714 C ILE A 46 -3.446 9.902 -6.974 1.00 0.00 C ATOM 715 O ILE A 46 -2.810 10.956 -6.962 1.00 0.00 O ATOM 716 CB ILE A 46 -4.639 9.425 -4.828 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.135 9.718 -3.412 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.717 8.352 -4.793 1.00 0.00 C ATOM 719 CD1 ILE A 46 -5.240 10.012 -2.422 1.00 0.00 C ATOM 0 H ILE A 46 -2.260 9.214 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.651 7.962 -6.079 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.066 10.343 -5.231 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.559 8.864 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.455 10.569 -3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.528 8.672 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.104 8.192 -5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.292 7.422 -4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.807 10.210 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.802 10.885 -2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.908 9.153 -2.357 1.00 0.00 H new ATOM 731 N HIS A 47 -4.140 9.481 -8.029 1.00 0.00 N ATOM 732 CA HIS A 47 -4.204 10.248 -9.270 1.00 0.00 C ATOM 733 C HIS A 47 -5.623 10.267 -9.827 1.00 0.00 C ATOM 734 O HIS A 47 -5.877 10.857 -10.878 1.00 0.00 O ATOM 735 CB HIS A 47 -3.251 9.653 -10.309 1.00 0.00 C ATOM 736 CG HIS A 47 -3.192 8.157 -10.282 1.00 0.00 C ATOM 737 ND1 HIS A 47 -4.283 7.364 -9.989 1.00 0.00 N ATOM 738 CD2 HIS A 47 -2.164 7.307 -10.514 1.00 0.00 C ATOM 739 CE1 HIS A 47 -3.928 6.093 -10.042 1.00 0.00 C ATOM 740 NE2 HIS A 47 -2.648 6.031 -10.359 1.00 0.00 N ATOM 0 H HIS A 47 -4.668 8.609 -8.048 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.904 11.272 -9.049 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.561 9.978 -11.302 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.250 10.051 -10.141 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.152 7.581 -10.773 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.575 5.248 -9.857 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.106 5.174 -10.471 1.00 0.00 H new ATOM 749 N SER A 48 -6.547 9.625 -9.117 1.00 0.00 N ATOM 750 CA SER A 48 -7.936 9.574 -9.543 1.00 0.00 C ATOM 751 C SER A 48 -8.840 10.134 -8.457 1.00 0.00 C ATOM 752 O SER A 48 -8.849 9.633 -7.332 1.00 0.00 O ATOM 753 CB SER A 48 -8.341 8.137 -9.874 1.00 0.00 C ATOM 754 OG SER A 48 -7.561 7.619 -10.938 1.00 0.00 O ATOM 0 H SER A 48 -6.355 9.134 -8.244 1.00 0.00 H new ATOM 0 HA SER A 48 -8.045 10.182 -10.441 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.220 7.509 -8.991 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.396 8.107 -10.144 1.00 0.00 H new ATOM 0 HG SER A 48 -6.625 7.552 -10.655 1.00 0.00 H new ATOM 760 N PRO A 49 -9.616 11.185 -8.774 1.00 0.00 N ATOM 761 CA PRO A 49 -10.527 11.802 -7.811 1.00 0.00 C ATOM 762 C PRO A 49 -11.341 10.758 -7.059 1.00 0.00 C ATOM 763 O PRO A 49 -11.753 10.976 -5.920 1.00 0.00 O ATOM 764 CB PRO A 49 -11.424 12.673 -8.690 1.00 0.00 C ATOM 765 CG PRO A 49 -10.560 13.038 -9.849 1.00 0.00 C ATOM 766 CD PRO A 49 -9.671 11.849 -10.092 1.00 0.00 C ATOM 0 HA PRO A 49 -10.005 12.365 -7.037 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.313 12.131 -9.012 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.767 13.558 -8.155 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.162 13.262 -10.730 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.970 13.928 -9.631 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.082 11.190 -10.857 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.680 12.151 -10.431 1.00 0.00 H new ATOM 774 N GLU A 50 -11.558 9.615 -7.705 1.00 0.00 N ATOM 775 CA GLU A 50 -12.304 8.526 -7.097 1.00 0.00 C ATOM 776 C GLU A 50 -11.482 7.838 -6.022 1.00 0.00 C ATOM 777 O GLU A 50 -11.975 7.574 -4.928 1.00 0.00 O ATOM 778 CB GLU A 50 -12.720 7.500 -8.148 1.00 0.00 C ATOM 779 CG GLU A 50 -13.386 6.271 -7.558 1.00 0.00 C ATOM 780 CD GLU A 50 -13.338 5.076 -8.489 1.00 0.00 C ATOM 781 OE1 GLU A 50 -12.223 4.687 -8.898 1.00 0.00 O ATOM 782 OE2 GLU A 50 -14.414 4.530 -8.812 1.00 0.00 O ATOM 0 H GLU A 50 -11.226 9.423 -8.650 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.197 8.955 -6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.403 7.971 -8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.840 7.192 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.897 6.014 -6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.425 6.503 -7.324 1.00 0.00 H new ATOM 789 N GLU A 51 -10.229 7.540 -6.345 1.00 0.00 N ATOM 790 CA GLU A 51 -9.347 6.873 -5.409 1.00 0.00 C ATOM 791 C GLU A 51 -9.117 7.746 -4.183 1.00 0.00 C ATOM 792 O GLU A 51 -9.216 7.277 -3.050 1.00 0.00 O ATOM 793 CB GLU A 51 -8.018 6.525 -6.080 1.00 0.00 C ATOM 794 CG GLU A 51 -8.116 5.366 -7.057 1.00 0.00 C ATOM 795 CD GLU A 51 -7.943 4.019 -6.383 1.00 0.00 C ATOM 796 OE1 GLU A 51 -8.751 3.694 -5.488 1.00 0.00 O ATOM 797 OE2 GLU A 51 -6.999 3.287 -6.752 1.00 0.00 O ATOM 0 H GLU A 51 -9.806 7.752 -7.249 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.820 5.945 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.646 7.403 -6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.285 6.280 -5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.085 5.397 -7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.356 5.482 -7.830 1.00 0.00 H new ATOM 804 N GLN A 52 -8.825 9.022 -4.418 1.00 0.00 N ATOM 805 CA GLN A 52 -8.602 9.960 -3.328 1.00 0.00 C ATOM 806 C GLN A 52 -9.841 10.039 -2.448 1.00 0.00 C ATOM 807 O GLN A 52 -9.748 10.024 -1.223 1.00 0.00 O ATOM 808 CB GLN A 52 -8.236 11.347 -3.876 1.00 0.00 C ATOM 809 CG GLN A 52 -9.437 12.193 -4.292 1.00 0.00 C ATOM 810 CD GLN A 52 -10.116 12.932 -3.144 1.00 0.00 C ATOM 811 OE1 GLN A 52 -9.482 12.977 -1.974 1.00 0.00 O flip ATOM 812 NE2 GLN A 52 -11.213 13.465 -3.311 1.00 0.00 N flip ATOM 0 H GLN A 52 -8.738 9.427 -5.350 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.767 9.604 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.671 11.888 -3.117 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.578 11.223 -4.736 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.113 12.921 -5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.170 11.548 -4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.672 13.412 -4.220 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.662 13.959 -2.540 1.00 0.00 H new ATOM 821 N ASP A 53 -11.002 10.100 -3.091 1.00 0.00 N ATOM 822 CA ASP A 53 -12.273 10.157 -2.391 1.00 0.00 C ATOM 823 C ASP A 53 -12.518 8.846 -1.665 1.00 0.00 C ATOM 824 O ASP A 53 -13.109 8.812 -0.588 1.00 0.00 O ATOM 825 CB ASP A 53 -13.412 10.433 -3.374 1.00 0.00 C ATOM 826 CG ASP A 53 -14.704 10.801 -2.674 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.910 12.002 -2.398 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.512 9.887 -2.401 1.00 0.00 O ATOM 0 H ASP A 53 -11.085 10.111 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.238 10.969 -1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.122 11.242 -4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.576 9.551 -3.993 1.00 0.00 H new ATOM 833 N PHE A 54 -12.069 7.763 -2.288 1.00 0.00 N ATOM 834 CA PHE A 54 -12.236 6.429 -1.744 1.00 0.00 C ATOM 835 C PHE A 54 -11.566 6.299 -0.383 1.00 0.00 C ATOM 836 O PHE A 54 -12.188 5.867 0.588 1.00 0.00 O ATOM 837 CB PHE A 54 -11.614 5.428 -2.716 1.00 0.00 C ATOM 838 CG PHE A 54 -12.582 4.436 -3.275 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.848 3.256 -2.605 1.00 0.00 C ATOM 840 CD2 PHE A 54 -13.217 4.681 -4.478 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.735 2.335 -3.125 1.00 0.00 C ATOM 842 CE2 PHE A 54 -14.104 3.767 -5.008 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.366 2.590 -4.329 1.00 0.00 C ATOM 0 H PHE A 54 -11.580 7.789 -3.183 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.300 6.231 -1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.155 5.975 -3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.815 4.891 -2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.357 3.053 -1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.016 5.599 -5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.936 1.417 -2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.592 3.969 -5.950 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.062 1.872 -4.738 1.00 0.00 H new ATOM 853 N LEU A 55 -10.303 6.688 -0.318 1.00 0.00 N ATOM 854 CA LEU A 55 -9.553 6.631 0.928 1.00 0.00 C ATOM 855 C LEU A 55 -9.995 7.737 1.871 1.00 0.00 C ATOM 856 O LEU A 55 -10.108 7.532 3.078 1.00 0.00 O ATOM 857 CB LEU A 55 -8.059 6.738 0.666 1.00 0.00 C ATOM 858 CG LEU A 55 -7.679 7.663 -0.479 1.00 0.00 C ATOM 859 CD1 LEU A 55 -7.129 8.962 0.068 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.671 6.987 -1.391 1.00 0.00 C ATOM 0 H LEU A 55 -9.775 7.047 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.756 5.668 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.569 7.087 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.669 5.742 0.455 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.569 7.886 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.859 9.619 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.886 9.447 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.245 8.757 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.408 7.661 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.775 6.739 -0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.105 6.075 -1.800 1.00 0.00 H new ATOM 872 N THR A 56 -10.241 8.916 1.305 1.00 0.00 N ATOM 873 CA THR A 56 -10.671 10.060 2.089 1.00 0.00 C ATOM 874 C THR A 56 -11.974 9.726 2.804 1.00 0.00 C ATOM 875 O THR A 56 -12.174 10.097 3.961 1.00 0.00 O ATOM 876 CB THR A 56 -10.838 11.285 1.181 1.00 0.00 C ATOM 877 OG1 THR A 56 -9.835 12.250 1.446 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.180 11.971 1.314 1.00 0.00 C ATOM 0 H THR A 56 -10.149 9.099 0.306 1.00 0.00 H new ATOM 0 HA THR A 56 -9.915 10.296 2.838 1.00 0.00 H new ATOM 0 HB THR A 56 -10.756 10.892 0.168 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.959 13.022 0.855 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.220 12.827 0.640 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.974 11.270 1.057 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.315 12.311 2.341 1.00 0.00 H new ATOM 886 N LYS A 57 -12.843 9.001 2.111 1.00 0.00 N ATOM 887 CA LYS A 57 -14.113 8.587 2.680 1.00 0.00 C ATOM 888 C LYS A 57 -13.873 7.487 3.704 1.00 0.00 C ATOM 889 O LYS A 57 -14.557 7.409 4.724 1.00 0.00 O ATOM 890 CB LYS A 57 -15.060 8.092 1.586 1.00 0.00 C ATOM 891 CG LYS A 57 -16.527 8.364 1.882 1.00 0.00 C ATOM 892 CD LYS A 57 -17.125 9.336 0.878 1.00 0.00 C ATOM 893 CE LYS A 57 -16.920 10.779 1.307 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.500 11.740 0.328 1.00 0.00 N ATOM 0 H LYS A 57 -12.688 8.689 1.152 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.578 9.443 3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.794 8.569 0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.918 7.020 1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.084 7.427 1.860 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.627 8.771 2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.668 9.178 -0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.191 9.136 0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.378 10.935 2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.854 10.976 1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.338 12.713 0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.045 11.609 -0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.522 11.570 0.239 1.00 0.00 H new ATOM 907 N HIS A 58 -12.883 6.643 3.422 1.00 0.00 N ATOM 908 CA HIS A 58 -12.533 5.551 4.317 1.00 0.00 C ATOM 909 C HIS A 58 -11.949 6.093 5.618 1.00 0.00 C ATOM 910 O HIS A 58 -12.089 5.479 6.675 1.00 0.00 O ATOM 911 CB HIS A 58 -11.532 4.610 3.646 1.00 0.00 C ATOM 912 CG HIS A 58 -11.748 3.168 3.982 1.00 0.00 C ATOM 913 ND1 HIS A 58 -12.311 2.265 3.104 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.473 2.470 5.111 1.00 0.00 C ATOM 915 CE1 HIS A 58 -12.374 1.077 3.678 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.871 1.175 4.895 1.00 0.00 N ATOM 0 H HIS A 58 -12.311 6.697 2.579 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.440 4.992 4.546 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.596 4.736 2.565 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.523 4.896 3.941 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -12.629 2.481 2.159 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.024 2.861 6.012 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.770 0.178 3.228 1.00 0.00 H new ATOM 978 N GLY A 63 -7.016 12.274 8.529 1.00 0.00 N ATOM 979 CA GLY A 63 -6.877 12.191 7.086 1.00 0.00 C ATOM 980 C GLY A 63 -6.026 11.014 6.652 1.00 0.00 C ATOM 981 O GLY A 63 -5.892 10.033 7.384 1.00 0.00 O ATOM 0 HA2 GLY A 63 -7.865 12.108 6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.432 13.114 6.713 1.00 0.00 H new ATOM 985 N SER A 64 -5.449 11.113 5.459 1.00 0.00 N ATOM 986 CA SER A 64 -4.605 10.050 4.926 1.00 0.00 C ATOM 987 C SER A 64 -3.321 10.619 4.330 1.00 0.00 C ATOM 988 O SER A 64 -3.241 11.810 4.025 1.00 0.00 O ATOM 989 CB SER A 64 -5.364 9.250 3.865 1.00 0.00 C ATOM 990 OG SER A 64 -5.048 9.702 2.560 1.00 0.00 O ATOM 0 H SER A 64 -5.551 11.919 4.843 1.00 0.00 H new ATOM 0 HA SER A 64 -4.338 9.387 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.116 8.193 3.957 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.437 9.342 4.035 1.00 0.00 H new ATOM 0 HG SER A 64 -5.761 10.292 2.237 1.00 0.00 H new ATOM 996 N TRP A 65 -2.322 9.760 4.159 1.00 0.00 N ATOM 997 CA TRP A 65 -1.044 10.172 3.592 1.00 0.00 C ATOM 998 C TRP A 65 -0.901 9.621 2.184 1.00 0.00 C ATOM 999 O TRP A 65 -1.159 8.445 1.941 1.00 0.00 O ATOM 1000 CB TRP A 65 0.111 9.674 4.465 1.00 0.00 C ATOM 1001 CG TRP A 65 0.510 10.635 5.544 1.00 0.00 C ATOM 1002 CD1 TRP A 65 1.123 11.843 5.382 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.328 10.463 6.955 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.333 12.432 6.606 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.852 11.606 7.586 1.00 0.00 C ATOM 1006 CE3 TRP A 65 -0.229 9.457 7.746 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.834 11.769 8.968 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 -0.246 9.619 9.118 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.282 10.767 9.717 1.00 0.00 C ATOM 0 H TRP A 65 -2.373 8.772 4.406 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.012 11.261 3.556 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.173 8.726 4.922 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.975 9.475 3.830 1.00 0.00 H new ATOM 0 HD1 TRP A 65 1.402 12.273 4.432 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.776 13.338 6.759 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.640 8.567 7.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.241 12.655 9.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.674 8.846 9.738 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.253 10.864 10.792 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.501 10.476 1.256 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.342 10.062 -0.129 1.00 0.00 C ATOM 1022 C ILE A 66 1.104 10.156 -0.578 1.00 0.00 C ATOM 1023 O ILE A 66 1.941 10.735 0.107 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.229 10.882 -1.078 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.610 12.253 -1.344 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.624 11.020 -0.493 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.576 13.249 -1.947 1.00 0.00 C ATOM 0 H ILE A 66 -0.282 11.456 1.435 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.657 9.020 -0.175 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.303 10.359 -2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.224 12.656 -0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.241 12.134 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.247 11.603 -1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.061 10.031 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.566 11.526 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.066 14.199 -2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.943 12.868 -2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.416 13.398 -1.268 1.00 0.00 H new ATOM 1039 N GLY A 67 1.381 9.566 -1.732 1.00 0.00 N ATOM 1040 CA GLY A 67 2.724 9.571 -2.276 1.00 0.00 C ATOM 1041 C GLY A 67 3.139 10.923 -2.824 1.00 0.00 C ATOM 1042 O GLY A 67 3.554 11.025 -3.976 1.00 0.00 O ATOM 0 H GLY A 67 0.692 9.080 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.426 9.270 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.791 8.828 -3.070 1.00 0.00 H new ATOM 1046 N LEU A 68 3.028 11.963 -2.004 1.00 0.00 N ATOM 1047 CA LEU A 68 3.401 13.302 -2.437 1.00 0.00 C ATOM 1048 C LEU A 68 4.422 13.950 -1.508 1.00 0.00 C ATOM 1049 O LEU A 68 4.219 14.042 -0.297 1.00 0.00 O ATOM 1050 CB LEU A 68 2.169 14.199 -2.538 1.00 0.00 C ATOM 1051 CG LEU A 68 2.355 15.439 -3.412 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.178 16.495 -2.689 1.00 0.00 C ATOM 1053 CD2 LEU A 68 3.019 15.060 -4.722 1.00 0.00 C ATOM 0 H LEU A 68 2.686 11.905 -1.045 1.00 0.00 H new ATOM 0 HA LEU A 68 3.861 13.194 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.340 13.612 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.884 14.517 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 68 1.372 15.860 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.296 17.367 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.669 16.787 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.159 16.088 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.146 15.951 -5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.994 14.616 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.395 14.340 -5.252 1.00 0.00 H new ATOM 1065 N ARG A 69 5.503 14.431 -2.109 1.00 0.00 N ATOM 1066 CA ARG A 69 6.562 15.119 -1.387 1.00 0.00 C ATOM 1067 C ARG A 69 7.039 16.318 -2.204 1.00 0.00 C ATOM 1068 O ARG A 69 7.480 16.157 -3.342 1.00 0.00 O ATOM 1069 CB ARG A 69 7.726 14.162 -1.106 1.00 0.00 C ATOM 1070 CG ARG A 69 9.028 14.865 -0.751 1.00 0.00 C ATOM 1071 CD ARG A 69 8.903 15.644 0.548 1.00 0.00 C ATOM 1072 NE ARG A 69 10.199 15.849 1.190 1.00 0.00 N ATOM 1073 CZ ARG A 69 10.520 15.350 2.379 1.00 0.00 C ATOM 1074 NH1 ARG A 69 9.645 14.617 3.054 1.00 0.00 N ATOM 1075 NH2 ARG A 69 11.720 15.581 2.896 1.00 0.00 N ATOM 0 H ARG A 69 5.669 14.354 -3.112 1.00 0.00 H new ATOM 0 HA ARG A 69 6.175 15.471 -0.431 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.448 13.497 -0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.889 13.536 -1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.827 14.129 -0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.309 15.542 -1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.441 16.611 0.348 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.241 15.109 1.229 1.00 0.00 H new ATOM 0 HE ARG A 69 10.897 16.407 0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.722 14.434 2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.895 14.236 3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.398 16.142 2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.965 15.197 3.809 1.00 0.00 H new ATOM 1089 N ASN A 70 6.951 17.516 -1.637 1.00 0.00 N ATOM 1090 CA ASN A 70 7.381 18.714 -2.352 1.00 0.00 C ATOM 1091 C ASN A 70 8.882 18.929 -2.197 1.00 0.00 C ATOM 1092 O ASN A 70 9.484 18.493 -1.216 1.00 0.00 O ATOM 1093 CB ASN A 70 6.603 19.943 -1.864 1.00 0.00 C ATOM 1094 CG ASN A 70 7.502 21.129 -1.570 1.00 0.00 C ATOM 1095 OD1 ASN A 70 8.157 21.185 -0.529 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.537 22.086 -2.490 1.00 0.00 N ATOM 0 H ASN A 70 6.591 17.684 -0.697 1.00 0.00 H new ATOM 0 HA ASN A 70 7.168 18.572 -3.412 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.870 20.227 -2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.048 19.682 -0.963 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.123 22.909 -2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.978 21.998 -3.338 1.00 0.00 H new ATOM 1196 N PHE A 77 5.463 19.987 -6.182 1.00 0.00 N ATOM 1197 CA PHE A 77 5.093 18.717 -5.584 1.00 0.00 C ATOM 1198 C PHE A 77 5.486 17.539 -6.473 1.00 0.00 C ATOM 1199 O PHE A 77 5.041 17.419 -7.614 1.00 0.00 O ATOM 1200 CB PHE A 77 3.586 18.680 -5.290 1.00 0.00 C ATOM 1201 CG PHE A 77 2.682 19.137 -6.418 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.189 19.523 -7.655 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.307 19.162 -6.235 1.00 0.00 C ATOM 1204 CE1 PHE A 77 2.349 19.923 -8.676 1.00 0.00 C ATOM 1205 CE2 PHE A 77 0.465 19.563 -7.257 1.00 0.00 C ATOM 1206 CZ PHE A 77 0.985 19.944 -8.476 1.00 0.00 C ATOM 0 HA PHE A 77 5.641 18.624 -4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.312 17.660 -5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.390 19.303 -4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.256 19.510 -7.819 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.889 18.865 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.760 20.219 -9.630 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.603 19.578 -7.099 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.326 20.258 -9.272 1.00 0.00 H new ATOM 1216 N ILE A 78 6.319 16.667 -5.927 1.00 0.00 N ATOM 1217 CA ILE A 78 6.781 15.486 -6.637 1.00 0.00 C ATOM 1218 C ILE A 78 6.364 14.226 -5.888 1.00 0.00 C ATOM 1219 O ILE A 78 6.392 14.190 -4.662 1.00 0.00 O ATOM 1220 CB ILE A 78 8.314 15.507 -6.827 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.647 15.829 -8.291 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.944 14.190 -6.378 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.531 14.809 -8.984 1.00 0.00 C ATOM 0 H ILE A 78 6.693 16.758 -4.982 1.00 0.00 H new ATOM 0 HA ILE A 78 6.319 15.487 -7.624 1.00 0.00 H new ATOM 0 HB ILE A 78 8.740 16.288 -6.198 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.715 15.919 -8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.138 16.801 -8.331 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.023 14.235 -6.524 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.727 14.024 -5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.532 13.370 -6.967 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.711 15.122 -10.012 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.482 14.733 -8.456 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.036 13.838 -8.982 1.00 0.00 H new ATOM 1235 N TRP A 79 5.971 13.199 -6.626 1.00 0.00 N ATOM 1236 CA TRP A 79 5.542 11.951 -6.010 1.00 0.00 C ATOM 1237 C TRP A 79 6.737 11.181 -5.468 1.00 0.00 C ATOM 1238 O TRP A 79 7.844 11.280 -5.996 1.00 0.00 O ATOM 1239 CB TRP A 79 4.794 11.076 -7.022 1.00 0.00 C ATOM 1240 CG TRP A 79 3.446 11.605 -7.418 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.943 12.850 -7.172 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.431 10.898 -8.140 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.676 12.958 -7.693 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.340 11.774 -8.293 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.340 9.609 -8.673 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.174 11.401 -8.955 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.181 9.241 -9.329 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.112 10.134 -9.467 1.00 0.00 C ATOM 0 H TRP A 79 5.940 13.203 -7.646 1.00 0.00 H new ATOM 0 HA TRP A 79 4.872 12.200 -5.187 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.407 10.971 -7.917 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.671 10.078 -6.601 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.465 13.635 -6.645 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.082 13.786 -7.641 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.160 8.914 -8.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.653 12.088 -9.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.098 8.247 -9.743 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.779 9.816 -9.988 1.00 0.00 H new ATOM 1259 N VAL A 80 6.502 10.411 -4.412 1.00 0.00 N ATOM 1260 CA VAL A 80 7.553 9.611 -3.795 1.00 0.00 C ATOM 1261 C VAL A 80 8.123 8.623 -4.807 1.00 0.00 C ATOM 1262 O VAL A 80 9.266 8.179 -4.690 1.00 0.00 O ATOM 1263 CB VAL A 80 7.014 8.844 -2.569 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.627 8.304 -2.860 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.958 7.721 -2.161 1.00 0.00 C ATOM 0 H VAL A 80 5.590 10.324 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 80 8.342 10.286 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 80 6.950 9.539 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.256 7.765 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.955 9.131 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.672 7.627 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.550 7.200 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.068 7.020 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.932 8.139 -1.908 1.00 0.00 H new ATOM 1275 N ASP A 81 7.315 8.291 -5.808 1.00 0.00 N ATOM 1276 CA ASP A 81 7.727 7.361 -6.852 1.00 0.00 C ATOM 1277 C ASP A 81 8.643 8.052 -7.855 1.00 0.00 C ATOM 1278 O ASP A 81 9.188 7.415 -8.757 1.00 0.00 O ATOM 1279 CB ASP A 81 6.502 6.790 -7.569 1.00 0.00 C ATOM 1280 CG ASP A 81 6.822 5.522 -8.338 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.477 4.628 -7.763 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.417 5.423 -9.516 1.00 0.00 O ATOM 0 H ASP A 81 6.368 8.654 -5.918 1.00 0.00 H new ATOM 0 HA ASP A 81 8.276 6.543 -6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.721 6.581 -6.838 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.105 7.538 -8.255 1.00 0.00 H new ATOM 1287 N GLY A 82 8.809 9.358 -7.684 1.00 0.00 N ATOM 1288 CA GLY A 82 9.661 10.123 -8.569 1.00 0.00 C ATOM 1289 C GLY A 82 8.926 10.645 -9.788 1.00 0.00 C ATOM 1290 O GLY A 82 9.507 10.755 -10.868 1.00 0.00 O ATOM 0 H GLY A 82 8.365 9.902 -6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.086 10.963 -8.020 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.494 9.499 -8.893 1.00 0.00 H new ATOM 1294 N SER A 83 7.646 10.967 -9.621 1.00 0.00 N ATOM 1295 CA SER A 83 6.842 11.479 -10.727 1.00 0.00 C ATOM 1296 C SER A 83 6.069 12.733 -10.322 1.00 0.00 C ATOM 1297 O SER A 83 5.254 12.700 -9.404 1.00 0.00 O ATOM 1298 CB SER A 83 5.869 10.404 -11.216 1.00 0.00 C ATOM 1299 OG SER A 83 6.486 9.550 -12.163 1.00 0.00 O ATOM 0 H SER A 83 7.146 10.883 -8.736 1.00 0.00 H new ATOM 0 HA SER A 83 7.522 11.746 -11.536 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.515 9.817 -10.369 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.995 10.877 -11.663 1.00 0.00 H new ATOM 0 HG SER A 83 5.844 8.871 -12.458 1.00 0.00 H new ATOM 1305 N HIS A 84 6.326 13.837 -11.019 1.00 0.00 N ATOM 1306 CA HIS A 84 5.649 15.098 -10.735 1.00 0.00 C ATOM 1307 C HIS A 84 4.133 14.923 -10.776 1.00 0.00 C ATOM 1308 O HIS A 84 3.611 14.138 -11.569 1.00 0.00 O ATOM 1309 CB HIS A 84 6.076 16.169 -11.740 1.00 0.00 C ATOM 1310 CG HIS A 84 7.558 16.248 -11.941 1.00 0.00 C ATOM 1311 ND1 HIS A 84 8.279 15.285 -12.615 1.00 0.00 N ATOM 1312 CD2 HIS A 84 8.456 17.185 -11.553 1.00 0.00 C ATOM 1313 CE1 HIS A 84 9.556 15.625 -12.632 1.00 0.00 C ATOM 1314 NE2 HIS A 84 9.689 16.774 -11.996 1.00 0.00 N ATOM 0 H HIS A 84 6.998 13.883 -11.785 1.00 0.00 H new ATOM 0 HA HIS A 84 5.934 15.416 -9.732 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.598 15.966 -12.699 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.712 17.139 -11.401 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.242 18.087 -10.999 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.355 15.059 -13.088 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.566 17.276 -11.856 1.00 0.00 H new ATOM 1323 N VAL A 85 3.436 15.657 -9.916 1.00 0.00 N ATOM 1324 CA VAL A 85 1.980 15.583 -9.845 1.00 0.00 C ATOM 1325 C VAL A 85 1.340 15.887 -11.195 1.00 0.00 C ATOM 1326 O VAL A 85 1.853 16.695 -11.970 1.00 0.00 O ATOM 1327 CB VAL A 85 1.434 16.547 -8.777 1.00 0.00 C ATOM 1328 CG1 VAL A 85 -0.075 16.424 -8.644 1.00 0.00 C ATOM 1329 CG2 VAL A 85 2.112 16.268 -7.456 1.00 0.00 C ATOM 0 H VAL A 85 3.856 16.312 -9.256 1.00 0.00 H new ATOM 0 HA VAL A 85 1.720 14.562 -9.565 1.00 0.00 H new ATOM 0 HB VAL A 85 1.651 17.570 -9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.431 17.117 -7.882 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.545 16.661 -9.598 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.333 15.405 -8.356 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.727 16.950 -6.698 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.912 15.240 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.187 16.413 -7.561 1.00 0.00 H new ATOM 1339 N ASP A 86 0.225 15.221 -11.473 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.481 15.399 -12.736 1.00 0.00 C ATOM 1341 C ASP A 86 -1.837 16.067 -12.537 1.00 0.00 C ATOM 1342 O ASP A 86 -2.089 17.151 -13.066 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.672 14.046 -13.422 1.00 0.00 C ATOM 1344 CG ASP A 86 0.647 13.372 -13.748 1.00 0.00 C ATOM 1345 OD1 ASP A 86 1.497 14.015 -14.398 1.00 0.00 O ATOM 1346 OD2 ASP A 86 0.828 12.201 -13.354 1.00 0.00 O ATOM 0 H ASP A 86 -0.210 14.551 -10.839 1.00 0.00 H new ATOM 0 HA ASP A 86 0.126 16.051 -13.364 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.260 13.394 -12.776 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.243 14.185 -14.340 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.717 15.405 -11.791 1.00 0.00 N ATOM 1352 CA TYR A 87 -4.057 15.927 -11.549 1.00 0.00 C ATOM 1353 C TYR A 87 -4.145 16.708 -10.243 1.00 0.00 C ATOM 1354 O TYR A 87 -4.726 17.792 -10.199 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.073 14.782 -11.534 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.122 13.999 -12.826 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -5.969 14.379 -13.861 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -4.322 12.878 -13.013 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -6.017 13.665 -15.042 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -4.364 12.160 -14.192 1.00 0.00 C ATOM 1361 CZ TYR A 87 -5.213 12.558 -15.203 1.00 0.00 C ATOM 1362 OH TYR A 87 -5.257 11.845 -16.380 1.00 0.00 O ATOM 0 H TYR A 87 -2.526 14.508 -11.345 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.286 16.616 -12.362 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.831 14.103 -10.716 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.063 15.189 -11.328 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.600 15.247 -13.739 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.656 12.563 -12.223 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -6.682 13.973 -15.836 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.735 11.291 -14.321 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.628 11.095 -16.332 1.00 0.00 H new ATOM 1372 N SER A 88 -3.586 16.140 -9.179 1.00 0.00 N ATOM 1373 CA SER A 88 -3.625 16.770 -7.859 1.00 0.00 C ATOM 1374 C SER A 88 -5.068 17.044 -7.452 1.00 0.00 C ATOM 1375 O SER A 88 -5.994 16.837 -8.237 1.00 0.00 O ATOM 1376 CB SER A 88 -2.809 18.068 -7.832 1.00 0.00 C ATOM 1377 OG SER A 88 -2.364 18.430 -9.127 1.00 0.00 O ATOM 0 H SER A 88 -3.100 15.244 -9.203 1.00 0.00 H new ATOM 0 HA SER A 88 -3.176 16.080 -7.144 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.417 18.872 -7.417 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.950 17.945 -7.172 1.00 0.00 H new ATOM 0 HG SER A 88 -1.849 19.262 -9.075 1.00 0.00 H new ATOM 1383 N ASN A 89 -5.262 17.491 -6.222 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.606 17.767 -5.734 1.00 0.00 C ATOM 1385 C ASN A 89 -6.698 19.146 -5.077 1.00 0.00 C ATOM 1386 O ASN A 89 -7.776 19.733 -5.038 1.00 0.00 O ATOM 1387 CB ASN A 89 -7.046 16.657 -4.777 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.510 15.428 -5.529 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.898 15.507 -6.694 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.473 14.282 -4.866 1.00 0.00 N ATOM 0 H ASN A 89 -4.517 17.669 -5.549 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.287 17.783 -6.585 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.217 16.392 -4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.853 17.022 -4.141 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.773 13.420 -5.321 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.144 14.262 -3.901 1.00 0.00 H new ATOM 1592 N CYS A 104 4.456 18.498 1.676 1.00 0.00 N ATOM 1593 CA CYS A 104 3.728 17.242 1.560 1.00 0.00 C ATOM 1594 C CYS A 104 2.243 17.515 1.366 1.00 0.00 C ATOM 1595 O CYS A 104 1.777 18.636 1.572 1.00 0.00 O ATOM 1596 CB CYS A 104 3.944 16.378 2.804 1.00 0.00 C ATOM 1597 SG CYS A 104 3.755 17.278 4.376 1.00 0.00 S ATOM 0 HA CYS A 104 4.107 16.701 0.693 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.236 15.549 2.785 1.00 0.00 H new ATOM 0 HB3 CYS A 104 4.943 15.945 2.763 1.00 0.00 H new ATOM 0 HG CYS A 104 3.955 16.463 5.369 1.00 0.00 H new ATOM 1602 N VAL A 105 1.501 16.495 0.956 1.00 0.00 N ATOM 1603 CA VAL A 105 0.075 16.649 0.727 1.00 0.00 C ATOM 1604 C VAL A 105 -0.750 15.726 1.616 1.00 0.00 C ATOM 1605 O VAL A 105 -0.493 14.526 1.704 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.277 16.395 -0.747 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.782 16.336 -0.938 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.325 17.481 -1.618 1.00 0.00 C ATOM 0 H VAL A 105 1.862 15.558 0.777 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.173 17.679 0.983 1.00 0.00 H new ATOM 0 HB VAL A 105 0.140 15.433 -1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.009 16.155 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.194 15.528 -0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.225 17.282 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.071 17.293 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.071 18.451 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.409 17.481 -1.503 1.00 0.00 H new ATOM 1618 N MET A 106 -1.749 16.311 2.266 1.00 0.00 N ATOM 1619 CA MET A 106 -2.643 15.577 3.150 1.00 0.00 C ATOM 1620 C MET A 106 -4.087 15.781 2.714 1.00 0.00 C ATOM 1621 O MET A 106 -4.372 16.632 1.882 1.00 0.00 O ATOM 1622 CB MET A 106 -2.460 16.038 4.598 1.00 0.00 C ATOM 1623 CG MET A 106 -2.619 17.538 4.785 1.00 0.00 C ATOM 1624 SD MET A 106 -2.713 18.015 6.521 1.00 0.00 S ATOM 1625 CE MET A 106 -1.955 19.636 6.469 1.00 0.00 C ATOM 0 H MET A 106 -1.961 17.306 2.195 1.00 0.00 H new ATOM 0 HA MET A 106 -2.400 14.516 3.091 1.00 0.00 H new ATOM 0 HB2 MET A 106 -3.185 15.523 5.229 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.470 15.741 4.943 1.00 0.00 H new ATOM 0 HG2 MET A 106 -1.778 18.050 4.317 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.521 17.871 4.271 1.00 0.00 H new ATOM 0 HE1 MET A 106 -1.939 20.063 7.472 1.00 0.00 H new ATOM 0 HE2 MET A 106 -0.935 19.549 6.096 1.00 0.00 H new ATOM 0 HE3 MET A 106 -2.529 20.285 5.807 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.694 17.326 -1.010 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.304 17.384 -0.579 1.00 0.00 C ATOM 1727 C TRP A 113 -5.930 18.763 -0.091 1.00 0.00 C ATOM 1728 O TRP A 113 -6.574 19.756 -0.416 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.348 17.110 -1.734 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.321 15.720 -2.243 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -6.167 14.703 -1.940 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.384 15.208 -3.185 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.814 13.582 -2.644 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.714 13.865 -3.415 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.294 15.768 -3.854 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.990 13.063 -4.296 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.574 14.974 -4.729 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.925 13.634 -4.942 1.00 0.00 C ATOM 0 HA TRP A 113 -6.218 16.636 0.209 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.609 17.772 -2.559 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.340 17.378 -1.416 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.994 14.768 -1.248 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.292 12.682 -2.602 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -3.019 16.800 -3.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.258 12.030 -4.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.729 15.393 -5.256 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.343 13.039 -5.630 1.00 0.00 H new ATOM 1749 N ASN A 114 -4.825 18.810 0.618 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.266 20.050 1.080 1.00 0.00 C ATOM 1751 C ASN A 114 -2.766 19.993 0.838 1.00 0.00 C ATOM 1752 O ASN A 114 -2.076 19.114 1.356 1.00 0.00 O ATOM 1753 CB ASN A 114 -4.567 20.271 2.564 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.042 20.497 2.827 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -6.828 19.550 2.874 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -6.427 21.756 2.998 1.00 0.00 N ATOM 0 H ASN A 114 -4.291 17.984 0.889 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.709 20.886 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.228 19.406 3.133 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.001 21.131 2.923 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -7.408 21.969 3.177 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -5.741 22.510 2.951 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.268 20.922 0.041 1.00 0.00 N ATOM 1764 CA ASP A 115 -0.853 20.969 -0.282 1.00 0.00 C ATOM 1765 C ASP A 115 -0.137 21.965 0.625 1.00 0.00 C ATOM 1766 O ASP A 115 -0.128 23.167 0.363 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.671 21.340 -1.758 1.00 0.00 C ATOM 1768 CG ASP A 115 0.667 20.887 -2.306 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.706 21.263 -1.722 1.00 0.00 O ATOM 1770 OD2 ASP A 115 0.678 20.154 -3.318 1.00 0.00 O ATOM 0 H ASP A 115 -2.825 21.656 -0.396 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.413 19.986 -0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.472 20.890 -2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.761 22.420 -1.872 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.541 10.793 11.117 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.267 9.689 12.020 1.00 0.00 C ATOM 1893 C GLY A 123 -3.441 8.329 11.369 1.00 0.00 C ATOM 1894 O GLY A 123 -3.444 7.305 12.053 1.00 0.00 O ATOM 0 HA2 GLY A 123 -2.247 9.778 12.394 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -3.930 9.760 12.882 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.582 8.312 10.047 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.751 7.063 9.313 1.00 0.00 C ATOM 1900 C ALA A 124 -2.723 6.948 8.193 1.00 0.00 C ATOM 1901 O ALA A 124 -2.562 7.869 7.394 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.162 6.968 8.751 1.00 0.00 C ATOM 0 H ALA A 124 -3.583 9.148 9.463 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.593 6.236 10.005 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.274 6.031 8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.882 7.000 9.569 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.342 7.805 8.076 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.034 5.811 8.135 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.026 5.582 7.111 1.00 0.00 C ATOM 1910 C TRP A 125 -1.605 4.782 5.958 1.00 0.00 C ATOM 1911 O TRP A 125 -2.280 3.767 6.164 1.00 0.00 O ATOM 1912 CB TRP A 125 0.180 4.847 7.700 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.185 3.564 8.380 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.644 3.418 9.656 1.00 0.00 C ATOM 1915 CD2 TRP A 125 -0.122 2.247 7.822 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.874 2.092 9.926 1.00 0.00 N ATOM 1917 CE2 TRP A 125 -0.561 1.352 8.817 1.00 0.00 C ATOM 1918 CE3 TRP A 125 0.259 1.737 6.578 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 -0.627 -0.024 8.604 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 0.193 0.371 6.369 1.00 0.00 C ATOM 1921 CH2 TRP A 125 -0.247 -0.495 7.378 1.00 0.00 C ATOM 0 H TRP A 125 -2.157 5.036 8.786 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.700 6.552 6.735 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.894 4.638 6.904 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.681 5.500 8.415 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -0.803 4.228 10.353 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.222 1.718 10.809 1.00 0.00 H new ATOM 0 HE3 TRP A 125 0.599 2.397 5.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -0.966 -0.694 9.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 0.486 -0.034 5.412 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -0.287 -1.557 7.184 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.349 5.243 4.743 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.858 4.566 3.570 1.00 0.00 C ATOM 1934 C VAL A 126 -0.775 4.365 2.502 1.00 0.00 C ATOM 1935 O VAL A 126 -0.086 5.304 2.104 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.071 5.319 2.980 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.043 6.784 3.365 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.148 5.151 1.473 1.00 0.00 C ATOM 0 H VAL A 126 -0.795 6.077 4.549 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.185 3.577 3.891 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.972 4.878 3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -3.908 7.289 2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.071 6.875 4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.130 7.243 2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.013 5.693 1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.241 5.546 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.246 4.093 1.229 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.652 3.117 2.048 1.00 0.00 N ATOM 1949 CA CYS A 127 0.322 2.728 1.021 1.00 0.00 C ATOM 1950 C CYS A 127 -0.298 1.705 0.077 1.00 0.00 C ATOM 1951 O CYS A 127 -1.299 1.097 0.411 1.00 0.00 O ATOM 1952 CB CYS A 127 1.584 2.140 1.649 1.00 0.00 C ATOM 1953 SG CYS A 127 2.381 3.220 2.876 1.00 0.00 S ATOM 0 H CYS A 127 -1.226 2.343 2.382 1.00 0.00 H new ATOM 0 HA CYS A 127 0.598 3.624 0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.331 1.193 2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.300 1.918 0.858 1.00 0.00 H new ATOM 1958 N ASP A 128 0.293 1.495 -1.090 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.254 0.521 -2.019 1.00 0.00 C ATOM 1960 C ASP A 128 0.797 -0.493 -2.437 1.00 0.00 C ATOM 1961 O ASP A 128 1.969 -0.168 -2.605 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.826 1.222 -3.254 1.00 0.00 C ATOM 1963 CG ASP A 128 0.093 2.303 -3.789 1.00 0.00 C ATOM 1964 OD1 ASP A 128 1.314 2.226 -3.540 1.00 0.00 O ATOM 1965 OD2 ASP A 128 -0.411 3.230 -4.460 1.00 0.00 O ATOM 0 H ASP A 128 1.134 1.975 -1.411 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.056 -0.011 -1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.006 0.484 -4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.791 1.662 -3.003 1.00 0.00 H new ATOM 1970 N ARG A 129 0.348 -1.727 -2.605 1.00 0.00 N ATOM 1971 CA ARG A 129 1.216 -2.827 -3.007 1.00 0.00 C ATOM 1972 C ARG A 129 0.400 -3.912 -3.692 1.00 0.00 C ATOM 1973 O ARG A 129 -0.826 -3.864 -3.691 1.00 0.00 O ATOM 1974 CB ARG A 129 1.940 -3.409 -1.790 1.00 0.00 C ATOM 1975 CG ARG A 129 1.087 -4.357 -0.963 1.00 0.00 C ATOM 1976 CD ARG A 129 1.848 -5.626 -0.609 1.00 0.00 C ATOM 1977 NE ARG A 129 1.436 -6.169 0.683 1.00 0.00 N ATOM 1978 CZ ARG A 129 2.016 -7.216 1.262 1.00 0.00 C ATOM 1979 NH1 ARG A 129 3.030 -7.831 0.666 1.00 0.00 N ATOM 1980 NH2 ARG A 129 1.584 -7.647 2.438 1.00 0.00 N ATOM 0 H ARG A 129 -0.626 -1.996 -2.467 1.00 0.00 H new ATOM 0 HA ARG A 129 1.959 -2.445 -3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.831 -3.938 -2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.277 -2.591 -1.154 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.767 -3.857 -0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.185 -4.615 -1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.686 -6.374 -1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.917 -5.414 -0.589 1.00 0.00 H new ATOM 0 HE ARG A 129 0.660 -5.720 1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.366 -7.501 -0.239 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.473 -8.634 1.113 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.806 -7.176 2.900 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.029 -8.450 2.882 1.00 0.00 H new ATOM 1994 N LEU A 130 1.082 -4.891 -4.268 1.00 0.00 N ATOM 1995 CA LEU A 130 0.400 -5.985 -4.947 1.00 0.00 C ATOM 1996 C LEU A 130 -0.099 -7.019 -3.941 1.00 0.00 C ATOM 1997 O LEU A 130 0.549 -7.273 -2.925 1.00 0.00 O ATOM 1998 CB LEU A 130 1.332 -6.638 -5.971 1.00 0.00 C ATOM 1999 CG LEU A 130 1.418 -5.931 -7.332 1.00 0.00 C ATOM 2000 CD1 LEU A 130 0.763 -6.778 -8.411 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.776 -4.546 -7.279 1.00 0.00 C ATOM 0 H LEU A 130 2.100 -4.951 -4.280 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.464 -5.578 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.334 -6.689 -5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 130 1.002 -7.664 -6.134 1.00 0.00 H new ATOM 0 HG LEU A 130 2.472 -5.802 -7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.832 -6.263 -9.369 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.272 -7.740 -8.478 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.286 -6.939 -8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.853 -4.072 -8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.274 -4.642 -7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 130 1.291 -3.935 -6.538 1.00 0.00 H new