USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 949 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 88 MET CE :methyl -119:sc= -2.2 (180deg=-4.59!) USER MOD Set 1.2: A 130 CYS SG : rot 177:sc= -0.462 USER MOD Set 2.1: A 21 GLN : amide:sc= 0.138 K(o=0.56,f=-14!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 173:sc= 0.418 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.016) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 30:sc= -0.253 USER MOD Single : A 25 MET CE :methyl 155:sc= -0.142 (180deg=-1.34) USER MOD Single : A 34 MET CE :methyl 170:sc= -3.49 (180deg=-3.89) USER MOD Single : A 36 THR OG1 : rot -130:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.544 K(o=-0.54,f=-3.3) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.81 K(o=-1.8,f=-2.5!) USER MOD Single : A 45 MET CE :methyl -173:sc= -0.213 (180deg=-0.248) USER MOD Single : A 46 THR OG1 : rot -77:sc= 0.516 USER MOD Single : A 47 SER OG : rot 65:sc= 0.525 USER MOD Single : A 48 SER OG : rot 110:sc= -2.65! USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 107:sc= 0.418 USER MOD Single : A 57 ASN : amide:sc= -2.55 K(o=-2.6,f=-4.7!) USER MOD Single : A 58 MET CE :methyl 136:sc= -2.32 (180deg=-5.34!) USER MOD Single : A 59 ASN :FLIP amide:sc= -2.09 F(o=-4.7!,f=-2.1) USER MOD Single : A 64 THR OG1 : rot -33:sc= -0.0182! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0163) USER MOD Single : A 72 ASN : amide:sc= -1.65 K(o=-1.6,f=-2.7!) USER MOD Single : A 80 CYS SG : rot -180:sc= 0.34 USER MOD Single : A 86 SER OG : rot 170:sc= -0.388 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= 0.275 K(o=0.27,f=-2.2!) USER MOD Single : A 96 THR OG1 : rot -67:sc= 1.04 USER MOD Single : A 101 MET CE :methyl 158:sc= 0 (180deg=-0.388) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -160:sc= -1.84 USER MOD Single : A 111 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-3.2!) USER MOD Single : A 115 CYS SG : rot 180:sc= -3.32! USER MOD Single : A 118 ASN :FLIP amide:sc= 0.0608 F(o=-2.6!,f=0.061) USER MOD Single : A 121 ASN : amide:sc=-0.00415 X(o=-0.0042,f=0) USER MOD Single : A 123 SER OG : rot -126:sc= 0.4 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 163 HIS : no HE2:sc= -0.0133 X(o=-0.013,f=-0.44) USER MOD Single : A 165 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 MET CE :methyl 156:sc= -0.0184 (180deg=-0.401) USER MOD Single : A 168 GLN : amide:sc= -0.32 K(o=-0.32,f=-3.8!) USER MOD Single : A 169 GLN : amide:sc= -0.0655 X(o=-0.066,f=-0.065) USER MOD Single : A 170 ASN : amide:sc= -0.345 X(o=-0.34,f=-0.011) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 ASN : amide:sc= -2.1! C(o=-2.1!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 15 7.167 -0.375 13.497 1.00 0.00 N ATOM 179 CA VAL A 15 6.705 0.128 12.209 1.00 0.00 C ATOM 180 C VAL A 15 7.870 0.320 11.244 1.00 0.00 C ATOM 181 O VAL A 15 8.975 0.672 11.654 1.00 0.00 O ATOM 182 CB VAL A 15 5.956 1.465 12.364 1.00 0.00 C ATOM 183 CG1 VAL A 15 6.920 2.575 12.755 1.00 0.00 C ATOM 184 CG2 VAL A 15 5.219 1.815 11.080 1.00 0.00 C ATOM 0 HA VAL A 15 6.021 -0.618 11.805 1.00 0.00 H new ATOM 0 HB VAL A 15 5.220 1.359 13.161 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.373 3.512 12.860 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.397 2.325 13.703 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.682 2.684 11.983 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.695 2.762 11.208 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.934 1.903 10.262 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.498 1.031 10.849 1.00 0.00 H new ATOM 194 N GLN A 16 7.613 0.087 9.961 1.00 0.00 N ATOM 195 CA GLN A 16 8.641 0.234 8.938 1.00 0.00 C ATOM 196 C GLN A 16 8.292 1.363 7.974 1.00 0.00 C ATOM 197 O GLN A 16 7.204 1.389 7.398 1.00 0.00 O ATOM 198 CB GLN A 16 8.813 -1.076 8.166 1.00 0.00 C ATOM 199 CG GLN A 16 9.609 -2.127 8.923 1.00 0.00 C ATOM 200 CD GLN A 16 9.589 -3.479 8.237 1.00 0.00 C ATOM 201 OE1 GLN A 16 10.631 -4.104 8.039 1.00 0.00 O ATOM 202 NE2 GLN A 16 8.398 -3.940 7.871 1.00 0.00 N ATOM 0 H GLN A 16 6.702 -0.204 9.606 1.00 0.00 H new ATOM 0 HA GLN A 16 9.579 0.481 9.435 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.829 -1.479 7.927 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.311 -0.868 7.219 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.641 -1.791 9.026 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.204 -2.229 9.930 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.559 -3.389 8.055 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.322 -4.845 7.406 1.00 0.00 H new ATOM 211 N LYS A 17 9.222 2.297 7.803 1.00 0.00 N ATOM 212 CA LYS A 17 9.014 3.429 6.909 1.00 0.00 C ATOM 213 C LYS A 17 9.757 3.227 5.592 1.00 0.00 C ATOM 214 O LYS A 17 10.895 2.757 5.576 1.00 0.00 O ATOM 215 CB LYS A 17 9.481 4.725 7.576 1.00 0.00 C ATOM 216 CG LYS A 17 10.974 4.763 7.852 1.00 0.00 C ATOM 217 CD LYS A 17 11.350 5.948 8.725 1.00 0.00 C ATOM 218 CE LYS A 17 12.858 6.062 8.892 1.00 0.00 C ATOM 219 NZ LYS A 17 13.225 6.765 10.153 1.00 0.00 N ATOM 0 H LYS A 17 10.128 2.292 8.272 1.00 0.00 H new ATOM 0 HA LYS A 17 7.947 3.500 6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.216 5.568 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.943 4.855 8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.278 3.838 8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.518 4.818 6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.962 6.865 8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.881 5.843 9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.300 5.066 8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.278 6.599 8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.261 6.822 10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.825 7.725 10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.846 6.239 10.966 1.00 0.00 H new ATOM 233 N PHE A 18 9.107 3.584 4.490 1.00 0.00 N ATOM 234 CA PHE A 18 9.707 3.442 3.168 1.00 0.00 C ATOM 235 C PHE A 18 9.609 4.746 2.383 1.00 0.00 C ATOM 236 O PHE A 18 8.613 5.465 2.475 1.00 0.00 O ATOM 237 CB PHE A 18 9.024 2.314 2.393 1.00 0.00 C ATOM 238 CG PHE A 18 9.017 1.002 3.126 1.00 0.00 C ATOM 239 CD1 PHE A 18 10.141 0.192 3.133 1.00 0.00 C ATOM 240 CD2 PHE A 18 7.886 0.579 3.806 1.00 0.00 C ATOM 241 CE1 PHE A 18 10.138 -1.015 3.806 1.00 0.00 C ATOM 242 CE2 PHE A 18 7.877 -0.627 4.481 1.00 0.00 C ATOM 243 CZ PHE A 18 9.004 -1.426 4.480 1.00 0.00 C ATOM 0 H PHE A 18 8.164 3.974 4.486 1.00 0.00 H new ATOM 0 HA PHE A 18 10.761 3.196 3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.996 2.604 2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.529 2.184 1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.030 0.507 2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 18 7.002 1.199 3.809 1.00 0.00 H new ATOM 0 HE1 PHE A 18 11.021 -1.636 3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.990 -0.944 5.009 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.999 -2.370 5.005 1.00 0.00 H new ATOM 253 N ARG A 19 10.648 5.045 1.611 1.00 0.00 N ATOM 254 CA ARG A 19 10.680 6.263 0.810 1.00 0.00 C ATOM 255 C ARG A 19 9.734 6.155 -0.382 1.00 0.00 C ATOM 256 O ARG A 19 9.927 5.322 -1.268 1.00 0.00 O ATOM 257 CB ARG A 19 12.103 6.541 0.322 1.00 0.00 C ATOM 258 CG ARG A 19 12.287 7.933 -0.259 1.00 0.00 C ATOM 259 CD ARG A 19 11.932 7.971 -1.738 1.00 0.00 C ATOM 260 NE ARG A 19 12.145 9.295 -2.317 1.00 0.00 N ATOM 261 CZ ARG A 19 13.345 9.835 -2.495 1.00 0.00 C ATOM 262 NH1 ARG A 19 14.435 9.168 -2.139 1.00 0.00 N ATOM 263 NH2 ARG A 19 13.458 11.044 -3.029 1.00 0.00 N ATOM 0 H ARG A 19 11.479 4.461 1.523 1.00 0.00 H new ATOM 0 HA ARG A 19 10.351 7.090 1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.795 6.409 1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 19 12.369 5.803 -0.434 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.662 8.641 0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.321 8.251 -0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.535 7.239 -2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.889 7.682 -1.868 1.00 0.00 H new ATOM 0 HE ARG A 19 11.327 9.834 -2.600 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.352 8.238 -1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.356 9.585 -2.277 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.622 11.560 -3.304 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.381 11.457 -3.165 1.00 0.00 H new ATOM 277 N VAL A 20 8.710 7.003 -0.397 1.00 0.00 N ATOM 278 CA VAL A 20 7.734 7.004 -1.480 1.00 0.00 C ATOM 279 C VAL A 20 7.322 8.425 -1.847 1.00 0.00 C ATOM 280 O VAL A 20 7.862 9.395 -1.317 1.00 0.00 O ATOM 281 CB VAL A 20 6.477 6.198 -1.103 1.00 0.00 C ATOM 282 CG1 VAL A 20 6.856 4.794 -0.657 1.00 0.00 C ATOM 283 CG2 VAL A 20 5.689 6.916 -0.018 1.00 0.00 C ATOM 0 H VAL A 20 8.535 7.698 0.329 1.00 0.00 H new ATOM 0 HA VAL A 20 8.214 6.535 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 20 5.843 6.114 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.955 4.240 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.374 4.282 -1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.511 4.853 0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.804 6.332 0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.313 7.033 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.384 7.898 -0.379 1.00 0.00 H new ATOM 293 N GLN A 21 6.361 8.539 -2.758 1.00 0.00 N ATOM 294 CA GLN A 21 5.876 9.843 -3.197 1.00 0.00 C ATOM 295 C GLN A 21 4.354 9.907 -3.133 1.00 0.00 C ATOM 296 O GLN A 21 3.679 8.877 -3.114 1.00 0.00 O ATOM 297 CB GLN A 21 6.352 10.135 -4.621 1.00 0.00 C ATOM 298 CG GLN A 21 7.833 10.464 -4.712 1.00 0.00 C ATOM 299 CD GLN A 21 8.323 10.556 -6.144 1.00 0.00 C ATOM 300 OE1 GLN A 21 8.999 9.654 -6.640 1.00 0.00 O ATOM 301 NE2 GLN A 21 7.985 11.649 -6.817 1.00 0.00 N ATOM 0 H GLN A 21 5.903 7.745 -3.206 1.00 0.00 H new ATOM 0 HA GLN A 21 6.282 10.599 -2.524 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.141 9.270 -5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.778 10.969 -5.023 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.023 11.410 -4.205 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.404 9.700 -4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.423 12.372 -6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.287 11.766 -7.784 1.00 0.00 H new ATOM 310 N TYR A 22 3.819 11.123 -3.101 1.00 0.00 N ATOM 311 CA TYR A 22 2.376 11.321 -3.037 1.00 0.00 C ATOM 312 C TYR A 22 1.825 11.754 -4.392 1.00 0.00 C ATOM 313 O TYR A 22 2.142 12.835 -4.889 1.00 0.00 O ATOM 314 CB TYR A 22 2.031 12.368 -1.976 1.00 0.00 C ATOM 315 CG TYR A 22 0.672 12.165 -1.345 1.00 0.00 C ATOM 316 CD1 TYR A 22 -0.272 11.332 -1.933 1.00 0.00 C ATOM 317 CD2 TYR A 22 0.332 12.805 -0.159 1.00 0.00 C ATOM 318 CE1 TYR A 22 -1.515 11.144 -1.360 1.00 0.00 C ATOM 319 CE2 TYR A 22 -0.908 12.622 0.422 1.00 0.00 C ATOM 320 CZ TYR A 22 -1.828 11.791 -0.182 1.00 0.00 C ATOM 321 OH TYR A 22 -3.064 11.606 0.392 1.00 0.00 O ATOM 0 H TYR A 22 4.363 11.986 -3.118 1.00 0.00 H new ATOM 0 HA TYR A 22 1.916 10.371 -2.765 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.792 12.347 -1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.068 13.358 -2.430 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.030 10.823 -2.854 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.050 13.457 0.317 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.238 10.494 -1.831 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.155 13.127 1.344 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.396 10.710 0.172 1.00 0.00 H new ATOM 331 N LEU A 23 0.996 10.901 -4.986 1.00 0.00 N ATOM 332 CA LEU A 23 0.399 11.194 -6.284 1.00 0.00 C ATOM 333 C LEU A 23 -0.960 11.867 -6.119 1.00 0.00 C ATOM 334 O LEU A 23 -1.342 12.722 -6.917 1.00 0.00 O ATOM 335 CB LEU A 23 0.248 9.908 -7.099 1.00 0.00 C ATOM 336 CG LEU A 23 1.532 9.347 -7.711 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.205 8.382 -6.748 1.00 0.00 C ATOM 338 CD2 LEU A 23 1.235 8.660 -9.036 1.00 0.00 C ATOM 0 H LEU A 23 0.723 10.002 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 23 1.061 11.879 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.189 9.143 -6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.464 10.093 -7.904 1.00 0.00 H new ATOM 0 HG LEU A 23 2.215 10.176 -7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.117 7.993 -7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.453 8.904 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.528 7.556 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.160 8.267 -9.457 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.534 7.841 -8.872 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.798 9.379 -9.729 1.00 0.00 H new ATOM 350 N GLY A 24 -1.686 11.476 -5.075 1.00 0.00 N ATOM 351 CA GLY A 24 -2.993 12.053 -4.823 1.00 0.00 C ATOM 352 C GLY A 24 -4.001 11.023 -4.352 1.00 0.00 C ATOM 353 O GLY A 24 -3.662 9.856 -4.163 1.00 0.00 O ATOM 0 H GLY A 24 -1.392 10.770 -4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.902 12.837 -4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.360 12.526 -5.734 1.00 0.00 H new ATOM 357 N MET A 25 -5.242 11.457 -4.161 1.00 0.00 N ATOM 358 CA MET A 25 -6.302 10.563 -3.708 1.00 0.00 C ATOM 359 C MET A 25 -7.464 10.554 -4.696 1.00 0.00 C ATOM 360 O MET A 25 -7.883 11.603 -5.187 1.00 0.00 O ATOM 361 CB MET A 25 -6.798 10.986 -2.324 1.00 0.00 C ATOM 362 CG MET A 25 -7.729 9.973 -1.677 1.00 0.00 C ATOM 363 SD MET A 25 -8.739 10.695 -0.369 1.00 0.00 S ATOM 364 CE MET A 25 -9.788 11.793 -1.319 1.00 0.00 C ATOM 0 H MET A 25 -5.539 12.421 -4.313 1.00 0.00 H new ATOM 0 HA MET A 25 -5.892 9.555 -3.647 1.00 0.00 H new ATOM 0 HB2 MET A 25 -5.939 11.146 -1.672 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.316 11.941 -2.409 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.380 9.545 -2.439 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.139 9.154 -1.265 1.00 0.00 H new ATOM 0 HE1 MET A 25 -10.718 11.967 -0.777 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.275 12.742 -1.474 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.010 11.339 -2.285 1.00 0.00 H new ATOM 374 N LEU A 26 -7.980 9.364 -4.984 1.00 0.00 N ATOM 375 CA LEU A 26 -9.095 9.218 -5.914 1.00 0.00 C ATOM 376 C LEU A 26 -10.205 8.368 -5.305 1.00 0.00 C ATOM 377 O LEU A 26 -10.023 7.188 -5.005 1.00 0.00 O ATOM 378 CB LEU A 26 -8.613 8.588 -7.222 1.00 0.00 C ATOM 379 CG LEU A 26 -9.389 8.978 -8.481 1.00 0.00 C ATOM 380 CD1 LEU A 26 -10.842 8.545 -8.368 1.00 0.00 C ATOM 381 CD2 LEU A 26 -9.295 10.478 -8.721 1.00 0.00 C ATOM 0 H LEU A 26 -7.644 8.486 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.496 10.210 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.566 8.856 -7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.653 7.504 -7.116 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.944 8.465 -9.333 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.378 8.831 -9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.891 7.463 -8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.300 9.030 -7.506 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.853 10.738 -9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.715 11.010 -7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.250 10.762 -8.847 1.00 0.00 H new ATOM 393 N PRO A 27 -11.384 8.980 -5.119 1.00 0.00 N ATOM 394 CA PRO A 27 -12.548 8.297 -4.547 1.00 0.00 C ATOM 395 C PRO A 27 -13.129 7.250 -5.492 1.00 0.00 C ATOM 396 O PRO A 27 -13.237 7.479 -6.697 1.00 0.00 O ATOM 397 CB PRO A 27 -13.551 9.431 -4.324 1.00 0.00 C ATOM 398 CG PRO A 27 -13.167 10.476 -5.314 1.00 0.00 C ATOM 399 CD PRO A 27 -11.672 10.384 -5.453 1.00 0.00 C ATOM 0 HA PRO A 27 -12.293 7.750 -3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.574 9.091 -4.484 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.497 9.813 -3.304 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.659 10.306 -6.272 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.467 11.467 -4.972 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.346 10.632 -6.463 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.163 11.071 -4.777 1.00 0.00 H new ATOM 407 N VAL A 28 -13.502 6.101 -4.937 1.00 0.00 N ATOM 408 CA VAL A 28 -14.073 5.019 -5.731 1.00 0.00 C ATOM 409 C VAL A 28 -15.262 4.384 -5.019 1.00 0.00 C ATOM 410 O VAL A 28 -15.530 4.678 -3.854 1.00 0.00 O ATOM 411 CB VAL A 28 -13.027 3.930 -6.031 1.00 0.00 C ATOM 412 CG1 VAL A 28 -11.820 4.529 -6.737 1.00 0.00 C ATOM 413 CG2 VAL A 28 -12.609 3.225 -4.749 1.00 0.00 C ATOM 0 H VAL A 28 -13.419 5.895 -3.941 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.408 5.459 -6.671 1.00 0.00 H new ATOM 0 HB VAL A 28 -13.477 3.192 -6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.091 3.744 -6.941 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.136 4.984 -7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.366 5.289 -6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.869 2.458 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.177 3.950 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.481 2.761 -4.288 1.00 0.00 H new ATOM 423 N ASP A 29 -15.971 3.512 -5.726 1.00 0.00 N ATOM 424 CA ASP A 29 -17.132 2.833 -5.162 1.00 0.00 C ATOM 425 C ASP A 29 -16.872 1.336 -5.025 1.00 0.00 C ATOM 426 O ASP A 29 -17.314 0.704 -4.065 1.00 0.00 O ATOM 427 CB ASP A 29 -18.364 3.071 -6.035 1.00 0.00 C ATOM 428 CG ASP A 29 -18.576 4.539 -6.349 1.00 0.00 C ATOM 429 OD1 ASP A 29 -19.214 5.234 -5.530 1.00 0.00 O ATOM 430 OD2 ASP A 29 -18.106 4.993 -7.413 1.00 0.00 O ATOM 0 H ASP A 29 -15.762 3.258 -6.692 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.316 3.245 -4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -18.259 2.515 -6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -19.246 2.680 -5.528 1.00 0.00 H new ATOM 435 N ARG A 30 -16.154 0.774 -5.992 1.00 0.00 N ATOM 436 CA ARG A 30 -15.837 -0.649 -5.980 1.00 0.00 C ATOM 437 C ARG A 30 -14.784 -0.963 -4.922 1.00 0.00 C ATOM 438 O ARG A 30 -13.646 -0.499 -4.987 1.00 0.00 O ATOM 439 CB ARG A 30 -15.341 -1.094 -7.357 1.00 0.00 C ATOM 440 CG ARG A 30 -15.717 -2.524 -7.708 1.00 0.00 C ATOM 441 CD ARG A 30 -17.159 -2.621 -8.180 1.00 0.00 C ATOM 442 NE ARG A 30 -17.326 -2.110 -9.538 1.00 0.00 N ATOM 443 CZ ARG A 30 -17.662 -0.855 -9.815 1.00 0.00 C ATOM 444 NH1 ARG A 30 -17.867 0.012 -8.832 1.00 0.00 N ATOM 445 NH2 ARG A 30 -17.795 -0.465 -11.076 1.00 0.00 N ATOM 0 H ARG A 30 -15.781 1.282 -6.794 1.00 0.00 H new ATOM 0 HA ARG A 30 -16.747 -1.196 -5.735 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.748 -0.424 -8.114 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.256 -0.993 -7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.052 -2.895 -8.488 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -15.574 -3.163 -6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.484 -3.661 -8.141 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -17.801 -2.061 -7.500 1.00 0.00 H new ATOM 0 HE ARG A 30 -17.176 -2.752 -10.316 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -17.767 -0.285 -7.861 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -18.125 0.975 -9.047 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.639 -1.129 -11.834 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -18.053 0.499 -11.287 1.00 0.00 H new ATOM 459 N PRO A 31 -15.171 -1.770 -3.923 1.00 0.00 N ATOM 460 CA PRO A 31 -14.275 -2.165 -2.832 1.00 0.00 C ATOM 461 C PRO A 31 -13.173 -3.109 -3.299 1.00 0.00 C ATOM 462 O PRO A 31 -12.164 -3.289 -2.617 1.00 0.00 O ATOM 463 CB PRO A 31 -15.207 -2.876 -1.847 1.00 0.00 C ATOM 464 CG PRO A 31 -16.334 -3.373 -2.685 1.00 0.00 C ATOM 465 CD PRO A 31 -16.512 -2.361 -3.782 1.00 0.00 C ATOM 0 HA PRO A 31 -13.753 -1.309 -2.404 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.698 -3.696 -1.341 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.560 -2.194 -1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.110 -4.358 -3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.245 -3.473 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.845 -2.828 -4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.256 -1.610 -3.518 1.00 0.00 H new ATOM 473 N VAL A 32 -13.371 -3.711 -4.468 1.00 0.00 N ATOM 474 CA VAL A 32 -12.393 -4.636 -5.027 1.00 0.00 C ATOM 475 C VAL A 32 -12.372 -4.559 -6.550 1.00 0.00 C ATOM 476 O VAL A 32 -13.214 -3.903 -7.161 1.00 0.00 O ATOM 477 CB VAL A 32 -12.686 -6.087 -4.603 1.00 0.00 C ATOM 478 CG1 VAL A 32 -12.573 -6.235 -3.093 1.00 0.00 C ATOM 479 CG2 VAL A 32 -14.063 -6.516 -5.086 1.00 0.00 C ATOM 0 H VAL A 32 -14.200 -3.574 -5.046 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.419 -4.340 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.944 -6.739 -5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.783 -7.267 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.564 -5.971 -2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.291 -5.573 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.253 -7.544 -4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.820 -5.862 -4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -14.104 -6.450 -6.173 1.00 0.00 H new ATOM 489 N GLY A 33 -11.401 -5.234 -7.158 1.00 0.00 N ATOM 490 CA GLY A 33 -11.288 -5.229 -8.605 1.00 0.00 C ATOM 491 C GLY A 33 -10.139 -4.369 -9.093 1.00 0.00 C ATOM 492 O GLY A 33 -10.182 -3.144 -8.985 1.00 0.00 O ATOM 0 H GLY A 33 -10.691 -5.784 -6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.149 -6.250 -8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.220 -4.865 -9.038 1.00 0.00 H new ATOM 496 N MET A 34 -9.107 -5.012 -9.630 1.00 0.00 N ATOM 497 CA MET A 34 -7.941 -4.298 -10.137 1.00 0.00 C ATOM 498 C MET A 34 -8.345 -3.286 -11.204 1.00 0.00 C ATOM 499 O MET A 34 -7.696 -2.253 -11.371 1.00 0.00 O ATOM 500 CB MET A 34 -6.922 -5.283 -10.711 1.00 0.00 C ATOM 501 CG MET A 34 -5.906 -5.770 -9.691 1.00 0.00 C ATOM 502 SD MET A 34 -4.526 -4.628 -9.486 1.00 0.00 S ATOM 503 CE MET A 34 -4.909 -3.916 -7.887 1.00 0.00 C ATOM 0 H MET A 34 -9.055 -6.026 -9.725 1.00 0.00 H new ATOM 0 HA MET A 34 -7.486 -3.760 -9.305 1.00 0.00 H new ATOM 0 HB2 MET A 34 -7.452 -6.142 -11.123 1.00 0.00 H new ATOM 0 HB3 MET A 34 -6.395 -4.807 -11.538 1.00 0.00 H new ATOM 0 HG2 MET A 34 -6.401 -5.912 -8.730 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.524 -6.743 -10.000 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.062 -3.325 -7.540 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.787 -3.276 -7.975 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.112 -4.714 -7.173 1.00 0.00 H new ATOM 513 N ASP A 35 -9.420 -3.589 -11.924 1.00 0.00 N ATOM 514 CA ASP A 35 -9.910 -2.706 -12.975 1.00 0.00 C ATOM 515 C ASP A 35 -10.317 -1.352 -12.402 1.00 0.00 C ATOM 516 O ASP A 35 -10.218 -0.325 -13.074 1.00 0.00 O ATOM 517 CB ASP A 35 -11.098 -3.346 -13.696 1.00 0.00 C ATOM 518 CG ASP A 35 -11.321 -2.760 -15.077 1.00 0.00 C ATOM 519 OD1 ASP A 35 -10.325 -2.551 -15.800 1.00 0.00 O ATOM 520 OD2 ASP A 35 -12.492 -2.511 -15.433 1.00 0.00 O ATOM 0 H ASP A 35 -9.968 -4.440 -11.798 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.102 -2.550 -13.690 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.931 -4.420 -13.783 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.999 -3.211 -13.097 1.00 0.00 H new ATOM 525 N THR A 36 -10.776 -1.357 -11.154 1.00 0.00 N ATOM 526 CA THR A 36 -11.200 -0.131 -10.490 1.00 0.00 C ATOM 527 C THR A 36 -10.024 0.560 -9.808 1.00 0.00 C ATOM 528 O THR A 36 -9.793 1.753 -10.006 1.00 0.00 O ATOM 529 CB THR A 36 -12.295 -0.408 -9.443 1.00 0.00 C ATOM 530 OG1 THR A 36 -13.395 -1.092 -10.054 1.00 0.00 O ATOM 531 CG2 THR A 36 -12.783 0.888 -8.814 1.00 0.00 C ATOM 0 H THR A 36 -10.863 -2.198 -10.583 1.00 0.00 H new ATOM 0 HA THR A 36 -11.604 0.523 -11.263 1.00 0.00 H new ATOM 0 HB THR A 36 -11.868 -1.034 -8.660 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.232 -0.638 -9.822 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.556 0.667 -8.078 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.949 1.391 -8.325 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.194 1.536 -9.588 1.00 0.00 H new ATOM 539 N LEU A 37 -9.284 -0.197 -9.006 1.00 0.00 N ATOM 540 CA LEU A 37 -8.130 0.343 -8.295 1.00 0.00 C ATOM 541 C LEU A 37 -7.235 1.142 -9.236 1.00 0.00 C ATOM 542 O LEU A 37 -6.874 2.282 -8.947 1.00 0.00 O ATOM 543 CB LEU A 37 -7.329 -0.789 -7.649 1.00 0.00 C ATOM 544 CG LEU A 37 -6.210 -0.362 -6.699 1.00 0.00 C ATOM 545 CD1 LEU A 37 -5.981 -1.423 -5.633 1.00 0.00 C ATOM 546 CD2 LEU A 37 -4.927 -0.095 -7.472 1.00 0.00 C ATOM 0 H LEU A 37 -9.462 -1.186 -8.832 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.495 1.012 -7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.020 -1.429 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.893 -1.397 -8.442 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.512 0.561 -6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.181 -1.102 -4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.897 -1.566 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.701 -2.363 -6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.141 0.208 -6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.621 -1.002 -7.994 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.098 0.701 -8.197 1.00 0.00 H new ATOM 558 N ASN A 38 -6.883 0.536 -10.366 1.00 0.00 N ATOM 559 CA ASN A 38 -6.031 1.192 -11.351 1.00 0.00 C ATOM 560 C ASN A 38 -6.714 2.432 -11.921 1.00 0.00 C ATOM 561 O ASN A 38 -6.087 3.479 -12.083 1.00 0.00 O ATOM 562 CB ASN A 38 -5.684 0.223 -12.482 1.00 0.00 C ATOM 563 CG ASN A 38 -4.504 -0.667 -12.140 1.00 0.00 C ATOM 564 OD1 ASN A 38 -3.421 -0.527 -12.708 1.00 0.00 O ATOM 565 ND2 ASN A 38 -4.710 -1.589 -11.206 1.00 0.00 N ATOM 0 H ASN A 38 -7.175 -0.407 -10.622 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.113 1.501 -10.852 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.552 -0.398 -12.703 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.458 0.789 -13.386 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.954 -2.217 -10.933 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.625 -1.669 -10.761 1.00 0.00 H new ATOM 572 N SER A 39 -8.002 2.306 -12.221 1.00 0.00 N ATOM 573 CA SER A 39 -8.770 3.415 -12.776 1.00 0.00 C ATOM 574 C SER A 39 -8.565 4.683 -11.952 1.00 0.00 C ATOM 575 O SER A 39 -8.751 5.794 -12.447 1.00 0.00 O ATOM 576 CB SER A 39 -10.257 3.059 -12.824 1.00 0.00 C ATOM 577 OG SER A 39 -10.921 3.782 -13.847 1.00 0.00 O ATOM 0 H SER A 39 -8.536 1.447 -12.089 1.00 0.00 H new ATOM 0 HA SER A 39 -8.415 3.600 -13.790 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.373 1.989 -12.996 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.718 3.278 -11.861 1.00 0.00 H new ATOM 0 HG SER A 39 -11.870 3.536 -13.859 1.00 0.00 H new ATOM 583 N ALA A 40 -8.181 4.507 -10.692 1.00 0.00 N ATOM 584 CA ALA A 40 -7.948 5.635 -9.799 1.00 0.00 C ATOM 585 C ALA A 40 -6.503 6.113 -9.883 1.00 0.00 C ATOM 586 O ALA A 40 -6.218 7.296 -9.692 1.00 0.00 O ATOM 587 CB ALA A 40 -8.299 5.257 -8.368 1.00 0.00 C ATOM 0 H ALA A 40 -8.025 3.593 -10.267 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.593 6.455 -10.115 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.120 6.109 -7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.350 4.972 -8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.679 4.418 -8.051 1.00 0.00 H new ATOM 593 N ILE A 41 -5.594 5.187 -10.169 1.00 0.00 N ATOM 594 CA ILE A 41 -4.178 5.515 -10.278 1.00 0.00 C ATOM 595 C ILE A 41 -3.923 6.474 -11.436 1.00 0.00 C ATOM 596 O ILE A 41 -3.476 7.602 -11.233 1.00 0.00 O ATOM 597 CB ILE A 41 -3.321 4.250 -10.476 1.00 0.00 C ATOM 598 CG1 ILE A 41 -3.438 3.333 -9.257 1.00 0.00 C ATOM 599 CG2 ILE A 41 -1.868 4.628 -10.723 1.00 0.00 C ATOM 600 CD1 ILE A 41 -2.669 2.038 -9.399 1.00 0.00 C ATOM 0 H ILE A 41 -5.813 4.204 -10.329 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.892 5.995 -9.342 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.690 3.712 -11.349 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.078 3.865 -8.376 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.490 3.105 -9.084 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.275 3.724 -10.861 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.800 5.247 -11.618 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.486 5.185 -9.867 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.797 1.438 -8.498 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.044 1.485 -10.260 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.611 2.257 -9.541 1.00 0.00 H new ATOM 612 N GLU A 42 -4.213 6.017 -12.651 1.00 0.00 N ATOM 613 CA GLU A 42 -4.016 6.835 -13.841 1.00 0.00 C ATOM 614 C GLU A 42 -4.657 8.209 -13.669 1.00 0.00 C ATOM 615 O GLU A 42 -4.076 9.228 -14.039 1.00 0.00 O ATOM 616 CB GLU A 42 -4.602 6.137 -15.070 1.00 0.00 C ATOM 617 CG GLU A 42 -3.663 5.123 -15.700 1.00 0.00 C ATOM 618 CD GLU A 42 -4.022 4.811 -17.140 1.00 0.00 C ATOM 619 OE1 GLU A 42 -3.751 5.660 -18.015 1.00 0.00 O ATOM 620 OE2 GLU A 42 -4.573 3.720 -17.392 1.00 0.00 O ATOM 0 H GLU A 42 -4.585 5.085 -12.836 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.944 6.969 -13.985 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.527 5.635 -14.786 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.863 6.889 -15.814 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.642 5.504 -15.658 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.684 4.202 -15.117 1.00 0.00 H new ATOM 627 N ASN A 43 -5.860 8.228 -13.104 1.00 0.00 N ATOM 628 CA ASN A 43 -6.582 9.476 -12.883 1.00 0.00 C ATOM 629 C ASN A 43 -5.665 10.534 -12.278 1.00 0.00 C ATOM 630 O ASN A 43 -5.684 11.696 -12.688 1.00 0.00 O ATOM 631 CB ASN A 43 -7.782 9.239 -11.965 1.00 0.00 C ATOM 632 CG ASN A 43 -8.947 8.594 -12.691 1.00 0.00 C ATOM 633 OD1 ASN A 43 -8.931 8.456 -13.914 1.00 0.00 O ATOM 634 ND2 ASN A 43 -9.967 8.197 -11.938 1.00 0.00 N ATOM 0 H ASN A 43 -6.355 7.393 -12.791 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.938 9.838 -13.848 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.479 8.603 -11.133 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.104 10.190 -11.540 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.780 7.758 -12.371 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.937 8.331 -10.927 1.00 0.00 H new ATOM 641 N LEU A 44 -4.863 10.126 -11.301 1.00 0.00 N ATOM 642 CA LEU A 44 -3.937 11.038 -10.639 1.00 0.00 C ATOM 643 C LEU A 44 -2.656 11.198 -11.450 1.00 0.00 C ATOM 644 O LEU A 44 -2.276 12.309 -11.818 1.00 0.00 O ATOM 645 CB LEU A 44 -3.606 10.529 -9.235 1.00 0.00 C ATOM 646 CG LEU A 44 -4.801 10.247 -8.324 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.443 9.196 -7.284 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.272 11.528 -7.650 1.00 0.00 C ATOM 0 H LEU A 44 -4.835 9.169 -10.949 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.419 12.013 -10.561 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.023 9.613 -9.330 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.967 11.264 -8.745 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.616 9.861 -8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.306 9.008 -6.645 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.155 8.272 -7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.612 9.554 -6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.123 11.308 -7.005 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.461 11.944 -7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.569 12.251 -8.410 1.00 0.00 H new ATOM 660 N MET A 45 -1.994 10.079 -11.728 1.00 0.00 N ATOM 661 CA MET A 45 -0.756 10.095 -12.499 1.00 0.00 C ATOM 662 C MET A 45 -0.832 11.119 -13.627 1.00 0.00 C ATOM 663 O MET A 45 0.171 11.736 -13.988 1.00 0.00 O ATOM 664 CB MET A 45 -0.471 8.706 -13.074 1.00 0.00 C ATOM 665 CG MET A 45 -0.285 7.635 -12.012 1.00 0.00 C ATOM 666 SD MET A 45 0.634 6.207 -12.618 1.00 0.00 S ATOM 667 CE MET A 45 2.226 6.476 -11.841 1.00 0.00 C ATOM 0 H MET A 45 -2.294 9.150 -11.431 1.00 0.00 H new ATOM 0 HA MET A 45 0.057 10.377 -11.830 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.293 8.417 -13.729 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.426 8.754 -13.691 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.239 8.063 -11.158 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.262 7.309 -11.656 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.942 5.745 -12.217 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.578 7.481 -12.072 1.00 0.00 H new ATOM 0 HE3 MET A 45 2.127 6.365 -10.761 1.00 0.00 H new ATOM 677 N THR A 46 -2.027 11.297 -14.180 1.00 0.00 N ATOM 678 CA THR A 46 -2.233 12.245 -15.268 1.00 0.00 C ATOM 679 C THR A 46 -2.399 13.664 -14.736 1.00 0.00 C ATOM 680 O THR A 46 -1.866 14.617 -15.304 1.00 0.00 O ATOM 681 CB THR A 46 -3.469 11.876 -16.109 1.00 0.00 C ATOM 682 OG1 THR A 46 -4.635 11.843 -15.278 1.00 0.00 O ATOM 683 CG2 THR A 46 -3.282 10.525 -16.782 1.00 0.00 C ATOM 0 H THR A 46 -2.868 10.797 -13.892 1.00 0.00 H new ATOM 0 HA THR A 46 -1.346 12.198 -15.900 1.00 0.00 H new ATOM 0 HB THR A 46 -3.595 12.635 -16.881 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.642 11.013 -14.758 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.168 10.286 -17.370 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.411 10.562 -17.436 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.133 9.758 -16.022 1.00 0.00 H new ATOM 691 N SER A 47 -3.141 13.797 -13.641 1.00 0.00 N ATOM 692 CA SER A 47 -3.380 15.101 -13.034 1.00 0.00 C ATOM 693 C SER A 47 -2.099 15.928 -13.001 1.00 0.00 C ATOM 694 O SER A 47 -2.028 17.008 -13.589 1.00 0.00 O ATOM 695 CB SER A 47 -3.929 14.934 -11.616 1.00 0.00 C ATOM 696 OG SER A 47 -5.259 14.444 -11.638 1.00 0.00 O ATOM 0 H SER A 47 -3.587 13.018 -13.156 1.00 0.00 H new ATOM 0 HA SER A 47 -4.116 15.627 -13.642 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.294 14.247 -11.056 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.900 15.892 -11.096 1.00 0.00 H new ATOM 0 HG SER A 47 -5.269 13.541 -12.019 1.00 0.00 H new ATOM 702 N SER A 48 -1.087 15.413 -12.309 1.00 0.00 N ATOM 703 CA SER A 48 0.192 16.105 -12.196 1.00 0.00 C ATOM 704 C SER A 48 1.324 15.250 -12.757 1.00 0.00 C ATOM 705 O SER A 48 1.092 14.162 -13.284 1.00 0.00 O ATOM 706 CB SER A 48 0.478 16.455 -10.734 1.00 0.00 C ATOM 707 OG SER A 48 1.259 17.633 -10.635 1.00 0.00 O ATOM 0 H SER A 48 -1.128 14.520 -11.819 1.00 0.00 H new ATOM 0 HA SER A 48 0.133 17.025 -12.778 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.462 16.592 -10.199 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.000 15.627 -10.254 1.00 0.00 H new ATOM 0 HG SER A 48 0.711 18.359 -10.271 1.00 0.00 H new ATOM 713 N SER A 49 2.549 15.751 -12.640 1.00 0.00 N ATOM 714 CA SER A 49 3.718 15.036 -13.139 1.00 0.00 C ATOM 715 C SER A 49 4.379 14.231 -12.024 1.00 0.00 C ATOM 716 O SER A 49 4.009 14.346 -10.855 1.00 0.00 O ATOM 717 CB SER A 49 4.725 16.018 -13.740 1.00 0.00 C ATOM 718 OG SER A 49 4.287 16.488 -15.003 1.00 0.00 O ATOM 0 H SER A 49 2.758 16.649 -12.204 1.00 0.00 H new ATOM 0 HA SER A 49 3.387 14.346 -13.915 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.864 16.861 -13.063 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.694 15.531 -13.846 1.00 0.00 H new ATOM 0 HG SER A 49 4.947 17.115 -15.365 1.00 0.00 H new ATOM 724 N LYS A 50 5.361 13.415 -12.394 1.00 0.00 N ATOM 725 CA LYS A 50 6.076 12.591 -11.427 1.00 0.00 C ATOM 726 C LYS A 50 6.896 13.456 -10.475 1.00 0.00 C ATOM 727 O LYS A 50 6.977 13.174 -9.280 1.00 0.00 O ATOM 728 CB LYS A 50 6.992 11.600 -12.150 1.00 0.00 C ATOM 729 CG LYS A 50 7.935 10.855 -11.221 1.00 0.00 C ATOM 730 CD LYS A 50 7.280 9.613 -10.641 1.00 0.00 C ATOM 731 CE LYS A 50 8.312 8.556 -10.279 1.00 0.00 C ATOM 732 NZ LYS A 50 9.130 8.960 -9.102 1.00 0.00 N ATOM 0 H LYS A 50 5.680 13.307 -13.357 1.00 0.00 H new ATOM 0 HA LYS A 50 5.340 12.038 -10.844 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.379 10.877 -12.688 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.579 12.137 -12.895 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.836 10.572 -11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.246 11.515 -10.411 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.708 9.883 -9.754 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.574 9.202 -11.363 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.807 7.614 -10.064 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.966 8.380 -11.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.739 8.167 -8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.722 9.777 -9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.502 9.218 -8.315 1.00 0.00 H new ATOM 746 N GLU A 51 7.501 14.511 -11.014 1.00 0.00 N ATOM 747 CA GLU A 51 8.314 15.417 -10.211 1.00 0.00 C ATOM 748 C GLU A 51 7.438 16.259 -9.287 1.00 0.00 C ATOM 749 O GLU A 51 7.861 16.647 -8.198 1.00 0.00 O ATOM 750 CB GLU A 51 9.145 16.329 -11.115 1.00 0.00 C ATOM 751 CG GLU A 51 10.046 15.574 -12.078 1.00 0.00 C ATOM 752 CD GLU A 51 11.250 16.389 -12.510 1.00 0.00 C ATOM 753 OE1 GLU A 51 11.124 17.628 -12.607 1.00 0.00 O ATOM 754 OE2 GLU A 51 12.317 15.788 -12.752 1.00 0.00 O ATOM 0 H GLU A 51 7.443 14.759 -12.002 1.00 0.00 H new ATOM 0 HA GLU A 51 8.986 14.816 -9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.473 16.970 -11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.758 16.982 -10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.386 14.653 -11.605 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.471 15.287 -12.958 1.00 0.00 H new ATOM 761 N ASP A 52 6.218 16.537 -9.730 1.00 0.00 N ATOM 762 CA ASP A 52 5.282 17.333 -8.944 1.00 0.00 C ATOM 763 C ASP A 52 4.918 16.618 -7.646 1.00 0.00 C ATOM 764 O ASP A 52 4.496 17.249 -6.677 1.00 0.00 O ATOM 765 CB ASP A 52 4.016 17.619 -9.755 1.00 0.00 C ATOM 766 CG ASP A 52 3.142 18.676 -9.109 1.00 0.00 C ATOM 767 OD1 ASP A 52 2.808 18.521 -7.915 1.00 0.00 O ATOM 768 OD2 ASP A 52 2.792 19.657 -9.797 1.00 0.00 O ATOM 0 H ASP A 52 5.853 16.223 -10.629 1.00 0.00 H new ATOM 0 HA ASP A 52 5.766 18.277 -8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.296 17.945 -10.757 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.444 16.698 -9.868 1.00 0.00 H new ATOM 773 N TRP A 53 5.084 15.301 -7.636 1.00 0.00 N ATOM 774 CA TRP A 53 4.772 14.501 -6.457 1.00 0.00 C ATOM 775 C TRP A 53 5.886 14.600 -5.421 1.00 0.00 C ATOM 776 O TRP A 53 7.054 14.334 -5.703 1.00 0.00 O ATOM 777 CB TRP A 53 4.554 13.039 -6.850 1.00 0.00 C ATOM 778 CG TRP A 53 3.690 12.872 -8.064 1.00 0.00 C ATOM 779 CD1 TRP A 53 2.696 13.710 -8.483 1.00 0.00 C ATOM 780 CD2 TRP A 53 3.742 11.802 -9.013 1.00 0.00 C ATOM 781 NE1 TRP A 53 2.127 13.224 -9.635 1.00 0.00 N ATOM 782 CE2 TRP A 53 2.752 12.055 -9.982 1.00 0.00 C ATOM 783 CE3 TRP A 53 4.531 10.655 -9.140 1.00 0.00 C ATOM 784 CZ2 TRP A 53 2.530 11.203 -11.060 1.00 0.00 C ATOM 785 CZ3 TRP A 53 4.309 9.810 -10.211 1.00 0.00 C ATOM 786 CH2 TRP A 53 3.316 10.087 -11.160 1.00 0.00 C ATOM 0 H TRP A 53 5.433 14.764 -8.430 1.00 0.00 H new ATOM 0 HA TRP A 53 3.855 14.892 -6.016 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.521 12.572 -7.034 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.099 12.509 -6.013 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.401 14.620 -7.982 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.363 13.662 -10.149 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.300 10.433 -8.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.765 11.415 -11.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 4.912 8.920 -10.318 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.168 9.407 -11.986 1.00 0.00 H new ATOM 797 N PRO A 54 5.519 14.993 -4.192 1.00 0.00 N ATOM 798 CA PRO A 54 6.474 15.137 -3.089 1.00 0.00 C ATOM 799 C PRO A 54 7.008 13.792 -2.606 1.00 0.00 C ATOM 800 O PRO A 54 6.504 12.738 -2.994 1.00 0.00 O ATOM 801 CB PRO A 54 5.648 15.810 -1.990 1.00 0.00 C ATOM 802 CG PRO A 54 4.239 15.427 -2.287 1.00 0.00 C ATOM 803 CD PRO A 54 4.144 15.328 -3.784 1.00 0.00 C ATOM 0 HA PRO A 54 7.357 15.704 -3.385 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.951 15.467 -1.001 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.776 16.892 -2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.985 14.477 -1.816 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.542 16.171 -1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.435 14.559 -4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.810 16.266 -4.228 1.00 0.00 H new ATOM 811 N SER A 55 8.030 13.837 -1.758 1.00 0.00 N ATOM 812 CA SER A 55 8.635 12.622 -1.225 1.00 0.00 C ATOM 813 C SER A 55 8.309 12.458 0.257 1.00 0.00 C ATOM 814 O SER A 55 8.784 13.222 1.097 1.00 0.00 O ATOM 815 CB SER A 55 10.151 12.651 -1.425 1.00 0.00 C ATOM 816 OG SER A 55 10.705 13.868 -0.955 1.00 0.00 O ATOM 0 H SER A 55 8.457 14.702 -1.425 1.00 0.00 H new ATOM 0 HA SER A 55 8.221 11.772 -1.767 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.606 11.813 -0.897 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.384 12.526 -2.483 1.00 0.00 H new ATOM 0 HG SER A 55 11.193 13.705 -0.121 1.00 0.00 H new ATOM 822 N VAL A 56 7.496 11.454 0.570 1.00 0.00 N ATOM 823 CA VAL A 56 7.106 11.188 1.949 1.00 0.00 C ATOM 824 C VAL A 56 7.486 9.770 2.363 1.00 0.00 C ATOM 825 O VAL A 56 7.835 8.941 1.525 1.00 0.00 O ATOM 826 CB VAL A 56 5.592 11.382 2.152 1.00 0.00 C ATOM 827 CG1 VAL A 56 5.166 12.771 1.701 1.00 0.00 C ATOM 828 CG2 VAL A 56 4.813 10.308 1.408 1.00 0.00 C ATOM 0 H VAL A 56 7.095 10.812 -0.113 1.00 0.00 H new ATOM 0 HA VAL A 56 7.643 11.902 2.573 1.00 0.00 H new ATOM 0 HB VAL A 56 5.371 11.288 3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.093 12.889 1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.700 13.522 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.400 12.898 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.745 10.460 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.038 10.367 0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.097 9.325 1.785 1.00 0.00 H new ATOM 838 N ASN A 57 7.413 9.500 3.663 1.00 0.00 N ATOM 839 CA ASN A 57 7.750 8.182 4.189 1.00 0.00 C ATOM 840 C ASN A 57 6.490 7.411 4.571 1.00 0.00 C ATOM 841 O ASN A 57 5.707 7.858 5.409 1.00 0.00 O ATOM 842 CB ASN A 57 8.668 8.315 5.405 1.00 0.00 C ATOM 843 CG ASN A 57 9.673 9.440 5.251 1.00 0.00 C ATOM 844 OD1 ASN A 57 10.483 9.440 4.323 1.00 0.00 O ATOM 845 ND2 ASN A 57 9.626 10.405 6.161 1.00 0.00 N ATOM 0 H ASN A 57 7.124 10.176 4.370 1.00 0.00 H new ATOM 0 HA ASN A 57 8.271 7.628 3.408 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.064 8.491 6.295 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.199 7.376 5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.278 11.188 6.108 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.938 10.364 6.913 1.00 0.00 H new ATOM 852 N MET A 58 6.301 6.251 3.950 1.00 0.00 N ATOM 853 CA MET A 58 5.137 5.417 4.226 1.00 0.00 C ATOM 854 C MET A 58 5.384 4.523 5.437 1.00 0.00 C ATOM 855 O MET A 58 6.199 3.602 5.383 1.00 0.00 O ATOM 856 CB MET A 58 4.795 4.561 3.006 1.00 0.00 C ATOM 857 CG MET A 58 3.722 3.519 3.276 1.00 0.00 C ATOM 858 SD MET A 58 2.062 4.123 2.916 1.00 0.00 S ATOM 859 CE MET A 58 2.158 4.343 1.142 1.00 0.00 C ATOM 0 H MET A 58 6.939 5.867 3.253 1.00 0.00 H new ATOM 0 HA MET A 58 4.295 6.073 4.447 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.462 5.212 2.197 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.698 4.059 2.660 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.921 2.633 2.673 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.774 3.212 4.320 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.253 3.951 0.677 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.254 5.404 0.912 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.025 3.808 0.755 1.00 0.00 H new ATOM 869 N ASN A 59 4.677 4.800 6.527 1.00 0.00 N ATOM 870 CA ASN A 59 4.821 4.021 7.751 1.00 0.00 C ATOM 871 C ASN A 59 3.802 2.885 7.796 1.00 0.00 C ATOM 872 O ASN A 59 2.606 3.117 7.970 1.00 0.00 O ATOM 873 CB ASN A 59 4.652 4.921 8.977 1.00 0.00 C ATOM 874 CG ASN A 59 5.746 5.966 9.081 1.00 0.00 C ATOM 875 OD1 ASN A 59 5.578 7.072 8.367 1.00 0.00 O flip ATOM 876 ND2 ASN A 59 6.731 5.780 9.797 1.00 0.00 N flip ATOM 0 H ASN A 59 3.998 5.559 6.588 1.00 0.00 H new ATOM 0 HA ASN A 59 5.822 3.589 7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.683 5.417 8.930 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.652 4.307 9.878 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.819 4.914 10.329 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.459 6.492 9.858 1.00 0.00 H new ATOM 883 N VAL A 60 4.286 1.657 7.638 1.00 0.00 N ATOM 884 CA VAL A 60 3.419 0.485 7.662 1.00 0.00 C ATOM 885 C VAL A 60 3.599 -0.305 8.953 1.00 0.00 C ATOM 886 O VAL A 60 4.541 -1.084 9.090 1.00 0.00 O ATOM 887 CB VAL A 60 3.694 -0.442 6.463 1.00 0.00 C ATOM 888 CG1 VAL A 60 2.744 -1.629 6.476 1.00 0.00 C ATOM 889 CG2 VAL A 60 3.580 0.329 5.157 1.00 0.00 C ATOM 0 H VAL A 60 5.274 1.448 7.492 1.00 0.00 H new ATOM 0 HA VAL A 60 2.393 0.849 7.602 1.00 0.00 H new ATOM 0 HB VAL A 60 4.712 -0.822 6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.954 -2.272 5.621 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.881 -2.194 7.398 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.716 -1.273 6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.777 -0.341 4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.575 0.740 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.306 1.142 5.150 1.00 0.00 H new ATOM 899 N ALA A 61 2.688 -0.099 9.899 1.00 0.00 N ATOM 900 CA ALA A 61 2.744 -0.794 11.178 1.00 0.00 C ATOM 901 C ALA A 61 2.008 -2.127 11.112 1.00 0.00 C ATOM 902 O ALA A 61 1.396 -2.460 10.096 1.00 0.00 O ATOM 903 CB ALA A 61 2.160 0.079 12.279 1.00 0.00 C ATOM 0 H ALA A 61 1.902 0.544 9.803 1.00 0.00 H new ATOM 0 HA ALA A 61 3.790 -0.998 11.407 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.208 -0.453 13.229 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.732 1.004 12.352 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.121 0.312 12.046 1.00 0.00 H new ATOM 909 N ASP A 62 2.071 -2.888 12.199 1.00 0.00 N ATOM 910 CA ASP A 62 1.410 -4.186 12.264 1.00 0.00 C ATOM 911 C ASP A 62 0.017 -4.118 11.647 1.00 0.00 C ATOM 912 O ASP A 62 -0.204 -4.596 10.535 1.00 0.00 O ATOM 913 CB ASP A 62 1.317 -4.663 13.714 1.00 0.00 C ATOM 914 CG ASP A 62 2.680 -4.853 14.350 1.00 0.00 C ATOM 915 OD1 ASP A 62 3.612 -5.278 13.637 1.00 0.00 O ATOM 916 OD2 ASP A 62 2.813 -4.578 15.561 1.00 0.00 O ATOM 0 H ASP A 62 2.574 -2.628 13.048 1.00 0.00 H new ATOM 0 HA ASP A 62 2.006 -4.898 11.693 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.746 -3.939 14.295 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.769 -5.604 13.749 1.00 0.00 H new ATOM 921 N ALA A 63 -0.919 -3.521 12.377 1.00 0.00 N ATOM 922 CA ALA A 63 -2.291 -3.389 11.901 1.00 0.00 C ATOM 923 C ALA A 63 -2.671 -1.923 11.720 1.00 0.00 C ATOM 924 O ALA A 63 -3.776 -1.509 12.070 1.00 0.00 O ATOM 925 CB ALA A 63 -3.251 -4.070 12.865 1.00 0.00 C ATOM 0 H ALA A 63 -0.753 -3.121 13.300 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.361 -3.878 10.929 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.272 -3.964 12.498 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.001 -5.128 12.941 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.169 -3.606 13.848 1.00 0.00 H new ATOM 931 N THR A 64 -1.747 -1.141 11.171 1.00 0.00 N ATOM 932 CA THR A 64 -1.984 0.279 10.945 1.00 0.00 C ATOM 933 C THR A 64 -0.991 0.849 9.938 1.00 0.00 C ATOM 934 O THR A 64 0.204 0.560 9.998 1.00 0.00 O ATOM 935 CB THR A 64 -1.886 1.081 12.256 1.00 0.00 C ATOM 936 OG1 THR A 64 -2.564 0.385 13.308 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.488 2.468 12.089 1.00 0.00 C ATOM 0 H THR A 64 -0.827 -1.467 10.875 1.00 0.00 H new ATOM 0 HA THR A 64 -2.994 0.371 10.547 1.00 0.00 H new ATOM 0 HB THR A 64 -0.832 1.188 12.512 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.335 -0.095 12.939 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.407 3.015 13.028 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.951 3.006 11.308 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.538 2.378 11.811 1.00 0.00 H new ATOM 945 N VAL A 65 -1.493 1.663 9.014 1.00 0.00 N ATOM 946 CA VAL A 65 -0.649 2.275 7.996 1.00 0.00 C ATOM 947 C VAL A 65 -0.793 3.793 8.003 1.00 0.00 C ATOM 948 O VAL A 65 -1.774 4.338 7.494 1.00 0.00 O ATOM 949 CB VAL A 65 -0.990 1.745 6.590 1.00 0.00 C ATOM 950 CG1 VAL A 65 -0.168 2.465 5.533 1.00 0.00 C ATOM 951 CG2 VAL A 65 -0.765 0.242 6.520 1.00 0.00 C ATOM 0 H VAL A 65 -2.480 1.913 8.950 1.00 0.00 H new ATOM 0 HA VAL A 65 0.380 2.009 8.237 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.044 1.942 6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.423 2.077 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.384 3.533 5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.893 2.302 5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.010 -0.116 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.279 0.020 6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.403 -0.256 7.251 1.00 0.00 H new ATOM 961 N THR A 66 0.191 4.473 8.582 1.00 0.00 N ATOM 962 CA THR A 66 0.175 5.928 8.656 1.00 0.00 C ATOM 963 C THR A 66 1.104 6.543 7.616 1.00 0.00 C ATOM 964 O THR A 66 2.106 5.940 7.231 1.00 0.00 O ATOM 965 CB THR A 66 0.589 6.425 10.054 1.00 0.00 C ATOM 966 OG1 THR A 66 -0.124 5.700 11.063 1.00 0.00 O ATOM 967 CG2 THR A 66 0.315 7.913 10.203 1.00 0.00 C ATOM 0 H THR A 66 1.010 4.039 9.007 1.00 0.00 H new ATOM 0 HA THR A 66 -0.849 6.242 8.455 1.00 0.00 H new ATOM 0 HB THR A 66 1.659 6.255 10.173 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.146 6.021 11.949 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.616 8.240 11.198 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.882 8.464 9.453 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.749 8.103 10.065 1.00 0.00 H new ATOM 975 N VAL A 67 0.765 7.746 7.163 1.00 0.00 N ATOM 976 CA VAL A 67 1.570 8.443 6.168 1.00 0.00 C ATOM 977 C VAL A 67 2.223 9.686 6.761 1.00 0.00 C ATOM 978 O VAL A 67 1.553 10.686 7.022 1.00 0.00 O ATOM 979 CB VAL A 67 0.723 8.854 4.948 1.00 0.00 C ATOM 980 CG1 VAL A 67 1.434 9.930 4.143 1.00 0.00 C ATOM 981 CG2 VAL A 67 0.417 7.642 4.081 1.00 0.00 C ATOM 0 H VAL A 67 -0.062 8.258 7.470 1.00 0.00 H new ATOM 0 HA VAL A 67 2.345 7.748 5.846 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.221 9.266 5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.821 10.208 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.598 10.806 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.394 9.549 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.182 7.950 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.350 7.200 3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.137 6.907 4.665 1.00 0.00 H new ATOM 991 N ILE A 68 3.533 9.617 6.972 1.00 0.00 N ATOM 992 CA ILE A 68 4.276 10.738 7.534 1.00 0.00 C ATOM 993 C ILE A 68 5.084 11.455 6.458 1.00 0.00 C ATOM 994 O ILE A 68 5.588 10.830 5.525 1.00 0.00 O ATOM 995 CB ILE A 68 5.228 10.277 8.653 1.00 0.00 C ATOM 996 CG1 ILE A 68 4.466 9.457 9.696 1.00 0.00 C ATOM 997 CG2 ILE A 68 5.901 11.477 9.304 1.00 0.00 C ATOM 998 CD1 ILE A 68 5.358 8.841 10.751 1.00 0.00 C ATOM 0 H ILE A 68 4.102 8.797 6.762 1.00 0.00 H new ATOM 0 HA ILE A 68 3.542 11.426 7.953 1.00 0.00 H new ATOM 0 HB ILE A 68 6.000 9.645 8.215 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.730 10.097 10.183 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.914 8.664 9.191 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.571 11.135 10.093 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.473 12.024 8.555 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.142 12.132 9.731 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.750 8.275 11.456 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.077 8.174 10.275 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.891 9.629 11.283 1.00 0.00 H new ATOM 1010 N SER A 69 5.206 12.772 6.596 1.00 0.00 N ATOM 1011 CA SER A 69 5.951 13.576 5.635 1.00 0.00 C ATOM 1012 C SER A 69 7.449 13.515 5.921 1.00 0.00 C ATOM 1013 O SER A 69 7.866 13.163 7.024 1.00 0.00 O ATOM 1014 CB SER A 69 5.472 15.028 5.673 1.00 0.00 C ATOM 1015 OG SER A 69 5.602 15.642 4.402 1.00 0.00 O ATOM 0 H SER A 69 4.798 13.304 7.365 1.00 0.00 H new ATOM 0 HA SER A 69 5.772 13.168 4.640 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.430 15.062 5.992 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.050 15.585 6.410 1.00 0.00 H new ATOM 0 HG SER A 69 5.288 16.569 4.453 1.00 0.00 H new ATOM 1021 N GLU A 70 8.251 13.859 4.919 1.00 0.00 N ATOM 1022 CA GLU A 70 9.702 13.843 5.062 1.00 0.00 C ATOM 1023 C GLU A 70 10.201 15.137 5.697 1.00 0.00 C ATOM 1024 O GLU A 70 11.329 15.568 5.454 1.00 0.00 O ATOM 1025 CB GLU A 70 10.369 13.639 3.700 1.00 0.00 C ATOM 1026 CG GLU A 70 10.619 12.180 3.356 1.00 0.00 C ATOM 1027 CD GLU A 70 11.797 11.995 2.419 1.00 0.00 C ATOM 1028 OE1 GLU A 70 12.010 12.872 1.556 1.00 0.00 O ATOM 1029 OE2 GLU A 70 12.504 10.975 2.549 1.00 0.00 O ATOM 0 H GLU A 70 7.921 14.152 4.000 1.00 0.00 H new ATOM 0 HA GLU A 70 9.967 13.013 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.741 14.083 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.318 14.174 3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.798 11.620 4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.724 11.761 2.896 1.00 0.00 H new ATOM 1036 N LYS A 71 9.352 15.755 6.512 1.00 0.00 N ATOM 1037 CA LYS A 71 9.705 17.000 7.183 1.00 0.00 C ATOM 1038 C LYS A 71 9.640 16.839 8.699 1.00 0.00 C ATOM 1039 O LYS A 71 10.508 17.326 9.422 1.00 0.00 O ATOM 1040 CB LYS A 71 8.768 18.126 6.739 1.00 0.00 C ATOM 1041 CG LYS A 71 8.702 18.303 5.232 1.00 0.00 C ATOM 1042 CD LYS A 71 9.757 19.278 4.737 1.00 0.00 C ATOM 1043 CE LYS A 71 9.777 19.354 3.218 1.00 0.00 C ATOM 1044 NZ LYS A 71 10.405 18.148 2.610 1.00 0.00 N ATOM 0 H LYS A 71 8.414 15.413 6.723 1.00 0.00 H new ATOM 0 HA LYS A 71 10.728 17.255 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.766 17.924 7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.097 19.061 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.841 17.338 4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.712 18.663 4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.561 20.268 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.738 18.970 5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.758 19.459 2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.323 20.244 2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.476 18.275 1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.356 18.013 3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.822 17.312 2.816 1.00 0.00 H new ATOM 1058 N ASN A 72 8.605 16.151 9.172 1.00 0.00 N ATOM 1059 CA ASN A 72 8.428 15.925 10.602 1.00 0.00 C ATOM 1060 C ASN A 72 7.709 14.604 10.858 1.00 0.00 C ATOM 1061 O ASN A 72 6.806 14.223 10.114 1.00 0.00 O ATOM 1062 CB ASN A 72 7.640 17.077 11.228 1.00 0.00 C ATOM 1063 CG ASN A 72 8.115 18.433 10.742 1.00 0.00 C ATOM 1064 OD1 ASN A 72 9.252 18.832 10.993 1.00 0.00 O ATOM 1065 ND2 ASN A 72 7.242 19.150 10.043 1.00 0.00 N ATOM 0 H ASN A 72 7.877 15.741 8.587 1.00 0.00 H new ATOM 0 HA ASN A 72 9.415 15.877 11.062 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.582 16.960 10.993 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.733 17.030 12.313 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.504 20.071 9.691 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.310 18.780 9.858 1.00 0.00 H new ATOM 1072 N GLU A 73 8.116 13.911 11.917 1.00 0.00 N ATOM 1073 CA GLU A 73 7.511 12.632 12.271 1.00 0.00 C ATOM 1074 C GLU A 73 6.061 12.820 12.708 1.00 0.00 C ATOM 1075 O GLU A 73 5.222 11.943 12.503 1.00 0.00 O ATOM 1076 CB GLU A 73 8.309 11.957 13.388 1.00 0.00 C ATOM 1077 CG GLU A 73 7.651 10.700 13.932 1.00 0.00 C ATOM 1078 CD GLU A 73 7.929 9.479 13.076 1.00 0.00 C ATOM 1079 OE1 GLU A 73 8.193 9.649 11.867 1.00 0.00 O ATOM 1080 OE2 GLU A 73 7.883 8.354 13.615 1.00 0.00 O ATOM 0 H GLU A 73 8.861 14.213 12.544 1.00 0.00 H new ATOM 0 HA GLU A 73 7.527 11.994 11.387 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.301 11.705 13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.448 12.667 14.204 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.008 10.517 14.946 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.574 10.857 13.996 1.00 0.00 H new ATOM 1087 N GLU A 74 5.775 13.969 13.312 1.00 0.00 N ATOM 1088 CA GLU A 74 4.427 14.271 13.780 1.00 0.00 C ATOM 1089 C GLU A 74 3.569 14.824 12.646 1.00 0.00 C ATOM 1090 O GLU A 74 2.401 15.158 12.844 1.00 0.00 O ATOM 1091 CB GLU A 74 4.476 15.274 14.934 1.00 0.00 C ATOM 1092 CG GLU A 74 5.586 16.304 14.798 1.00 0.00 C ATOM 1093 CD GLU A 74 6.900 15.826 15.385 1.00 0.00 C ATOM 1094 OE1 GLU A 74 7.291 14.675 15.103 1.00 0.00 O ATOM 1095 OE2 GLU A 74 7.536 16.604 16.127 1.00 0.00 O ATOM 0 H GLU A 74 6.458 14.706 13.489 1.00 0.00 H new ATOM 0 HA GLU A 74 3.977 13.344 14.134 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.518 15.790 14.996 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.608 14.732 15.870 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.728 16.542 13.744 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.284 17.226 15.295 1.00 0.00 H new ATOM 1102 N GLU A 75 4.158 14.919 11.458 1.00 0.00 N ATOM 1103 CA GLU A 75 3.448 15.434 10.293 1.00 0.00 C ATOM 1104 C GLU A 75 2.694 14.316 9.578 1.00 0.00 C ATOM 1105 O GLU A 75 3.172 13.764 8.587 1.00 0.00 O ATOM 1106 CB GLU A 75 4.427 16.103 9.326 1.00 0.00 C ATOM 1107 CG GLU A 75 3.783 16.563 8.029 1.00 0.00 C ATOM 1108 CD GLU A 75 3.166 17.944 8.141 1.00 0.00 C ATOM 1109 OE1 GLU A 75 3.920 18.914 8.365 1.00 0.00 O ATOM 1110 OE2 GLU A 75 1.930 18.053 8.005 1.00 0.00 O ATOM 0 H GLU A 75 5.124 14.646 11.277 1.00 0.00 H new ATOM 0 HA GLU A 75 2.726 16.174 10.637 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.883 16.961 9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.231 15.404 9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.532 16.567 7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.014 15.848 7.736 1.00 0.00 H new ATOM 1117 N VAL A 76 1.511 13.988 10.089 1.00 0.00 N ATOM 1118 CA VAL A 76 0.689 12.937 9.500 1.00 0.00 C ATOM 1119 C VAL A 76 -0.237 13.500 8.428 1.00 0.00 C ATOM 1120 O VAL A 76 -1.051 14.384 8.697 1.00 0.00 O ATOM 1121 CB VAL A 76 -0.156 12.221 10.570 1.00 0.00 C ATOM 1122 CG1 VAL A 76 -1.129 13.192 11.220 1.00 0.00 C ATOM 1123 CG2 VAL A 76 -0.896 11.040 9.960 1.00 0.00 C ATOM 0 H VAL A 76 1.101 14.435 10.909 1.00 0.00 H new ATOM 0 HA VAL A 76 1.371 12.218 9.045 1.00 0.00 H new ATOM 0 HB VAL A 76 0.512 11.842 11.343 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.717 12.668 11.973 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.574 14.002 11.692 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.795 13.603 10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.488 10.545 10.730 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.554 11.394 9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.176 10.334 9.546 1.00 0.00 H new ATOM 1133 N LEU A 77 -0.108 12.982 7.212 1.00 0.00 N ATOM 1134 CA LEU A 77 -0.935 13.432 6.097 1.00 0.00 C ATOM 1135 C LEU A 77 -2.129 12.504 5.895 1.00 0.00 C ATOM 1136 O LEU A 77 -3.243 12.957 5.632 1.00 0.00 O ATOM 1137 CB LEU A 77 -0.104 13.498 4.815 1.00 0.00 C ATOM 1138 CG LEU A 77 1.247 14.207 4.926 1.00 0.00 C ATOM 1139 CD1 LEU A 77 2.072 13.984 3.668 1.00 0.00 C ATOM 1140 CD2 LEU A 77 1.050 15.694 5.180 1.00 0.00 C ATOM 0 H LEU A 77 0.561 12.250 6.972 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.309 14.428 6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.070 12.480 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.694 14.001 4.049 1.00 0.00 H new ATOM 0 HG LEU A 77 1.789 13.783 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.029 14.496 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.243 12.916 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.535 14.380 2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.022 16.182 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.487 16.132 4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.500 15.834 6.110 1.00 0.00 H new ATOM 1152 N VAL A 78 -1.888 11.203 6.022 1.00 0.00 N ATOM 1153 CA VAL A 78 -2.944 10.211 5.856 1.00 0.00 C ATOM 1154 C VAL A 78 -2.784 9.067 6.852 1.00 0.00 C ATOM 1155 O VAL A 78 -1.734 8.430 6.916 1.00 0.00 O ATOM 1156 CB VAL A 78 -2.955 9.635 4.428 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -3.987 8.525 4.307 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -3.223 10.736 3.413 1.00 0.00 C ATOM 0 H VAL A 78 -0.972 10.811 6.239 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.889 10.721 6.041 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.974 9.209 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.980 8.131 3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.746 7.726 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.976 8.922 4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.227 10.312 2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.191 11.192 3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.443 11.494 3.483 1.00 0.00 H new ATOM 1168 N GLU A 79 -3.834 8.813 7.626 1.00 0.00 N ATOM 1169 CA GLU A 79 -3.809 7.745 8.619 1.00 0.00 C ATOM 1170 C GLU A 79 -4.775 6.626 8.239 1.00 0.00 C ATOM 1171 O GLU A 79 -5.978 6.719 8.486 1.00 0.00 O ATOM 1172 CB GLU A 79 -4.168 8.295 10.001 1.00 0.00 C ATOM 1173 CG GLU A 79 -3.853 7.338 11.138 1.00 0.00 C ATOM 1174 CD GLU A 79 -4.464 7.775 12.455 1.00 0.00 C ATOM 1175 OE1 GLU A 79 -5.687 7.593 12.631 1.00 0.00 O ATOM 1176 OE2 GLU A 79 -3.719 8.298 13.310 1.00 0.00 O ATOM 0 H GLU A 79 -4.712 9.331 7.585 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.799 7.336 8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.628 9.228 10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.231 8.534 10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.221 6.344 10.883 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.772 7.259 11.252 1.00 0.00 H new ATOM 1183 N CYS A 80 -4.239 5.570 7.637 1.00 0.00 N ATOM 1184 CA CYS A 80 -5.052 4.433 7.221 1.00 0.00 C ATOM 1185 C CYS A 80 -4.843 3.245 8.154 1.00 0.00 C ATOM 1186 O CYS A 80 -3.755 3.053 8.697 1.00 0.00 O ATOM 1187 CB CYS A 80 -4.711 4.035 5.784 1.00 0.00 C ATOM 1188 SG CYS A 80 -5.665 2.630 5.162 1.00 0.00 S ATOM 0 H CYS A 80 -3.245 5.478 7.426 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.100 4.729 7.269 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.878 4.892 5.131 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.650 3.794 5.727 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.302 2.365 3.942 1.00 0.00 H new ATOM 1194 N ARG A 81 -5.893 2.451 8.337 1.00 0.00 N ATOM 1195 CA ARG A 81 -5.825 1.283 9.207 1.00 0.00 C ATOM 1196 C ARG A 81 -6.330 0.037 8.484 1.00 0.00 C ATOM 1197 O ARG A 81 -7.352 0.075 7.800 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.646 1.517 10.476 1.00 0.00 C ATOM 1199 CG ARG A 81 -5.852 2.148 11.608 1.00 0.00 C ATOM 1200 CD ARG A 81 -5.680 3.645 11.402 1.00 0.00 C ATOM 1201 NE ARG A 81 -4.980 4.274 12.518 1.00 0.00 N ATOM 1202 CZ ARG A 81 -5.519 4.445 13.720 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -6.757 4.036 13.960 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -4.819 5.027 14.686 1.00 0.00 N ATOM 0 H ARG A 81 -6.801 2.595 7.895 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.782 1.126 9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.494 2.159 10.237 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.053 0.565 10.816 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.360 1.966 12.555 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.873 1.674 11.675 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.126 3.823 10.480 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.659 4.109 11.280 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.025 4.600 12.367 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.299 3.588 13.221 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.168 4.169 14.884 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.866 5.343 14.506 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.234 5.158 15.609 1.00 0.00 H new ATOM 1218 N VAL A 82 -5.605 -1.066 8.642 1.00 0.00 N ATOM 1219 CA VAL A 82 -5.979 -2.324 8.006 1.00 0.00 C ATOM 1220 C VAL A 82 -7.449 -2.647 8.249 1.00 0.00 C ATOM 1221 O VAL A 82 -8.163 -3.062 7.336 1.00 0.00 O ATOM 1222 CB VAL A 82 -5.116 -3.491 8.520 1.00 0.00 C ATOM 1223 CG1 VAL A 82 -3.711 -3.410 7.944 1.00 0.00 C ATOM 1224 CG2 VAL A 82 -5.079 -3.497 10.040 1.00 0.00 C ATOM 0 H VAL A 82 -4.756 -1.114 9.205 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.809 -2.201 6.936 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.565 -4.427 8.187 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.116 -4.243 8.318 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.760 -3.459 6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.248 -2.470 8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.465 -4.328 10.386 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.654 -2.559 10.397 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.091 -3.608 10.428 1.00 0.00 H new ATOM 1234 N ARG A 83 -7.895 -2.454 9.486 1.00 0.00 N ATOM 1235 CA ARG A 83 -9.280 -2.726 9.851 1.00 0.00 C ATOM 1236 C ARG A 83 -10.239 -2.127 8.826 1.00 0.00 C ATOM 1237 O ARG A 83 -11.356 -2.612 8.648 1.00 0.00 O ATOM 1238 CB ARG A 83 -9.584 -2.163 11.240 1.00 0.00 C ATOM 1239 CG ARG A 83 -8.687 -2.720 12.333 1.00 0.00 C ATOM 1240 CD ARG A 83 -9.221 -2.386 13.717 1.00 0.00 C ATOM 1241 NE ARG A 83 -8.831 -3.384 14.710 1.00 0.00 N ATOM 1242 CZ ARG A 83 -9.307 -4.624 14.732 1.00 0.00 C ATOM 1243 NH1 ARG A 83 -10.186 -5.017 13.820 1.00 0.00 N ATOM 1244 NH2 ARG A 83 -8.903 -5.474 15.668 1.00 0.00 N ATOM 0 H ARG A 83 -7.317 -2.110 10.253 1.00 0.00 H new ATOM 0 HA ARG A 83 -9.420 -3.807 9.867 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.480 -1.078 11.214 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.623 -2.377 11.490 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.608 -3.802 12.224 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.682 -2.314 12.222 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.851 -1.407 14.022 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.308 -2.318 13.679 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.156 -3.114 15.426 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.498 -4.367 13.099 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.550 -5.970 13.839 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.227 -5.175 16.371 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.269 -6.426 15.685 1.00 0.00 H new ATOM 1258 N PHE A 84 -9.795 -1.069 8.156 1.00 0.00 N ATOM 1259 CA PHE A 84 -10.614 -0.402 7.150 1.00 0.00 C ATOM 1260 C PHE A 84 -10.244 -0.874 5.747 1.00 0.00 C ATOM 1261 O PHE A 84 -11.105 -1.002 4.876 1.00 0.00 O ATOM 1262 CB PHE A 84 -10.447 1.116 7.251 1.00 0.00 C ATOM 1263 CG PHE A 84 -10.991 1.696 8.525 1.00 0.00 C ATOM 1264 CD1 PHE A 84 -12.310 1.482 8.891 1.00 0.00 C ATOM 1265 CD2 PHE A 84 -10.183 2.454 9.357 1.00 0.00 C ATOM 1266 CE1 PHE A 84 -12.813 2.015 10.063 1.00 0.00 C ATOM 1267 CE2 PHE A 84 -10.681 2.989 10.530 1.00 0.00 C ATOM 1268 CZ PHE A 84 -11.997 2.768 10.884 1.00 0.00 C ATOM 0 H PHE A 84 -8.873 -0.655 8.291 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.657 -0.659 7.337 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.388 1.363 7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.948 1.586 6.404 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -12.952 0.892 8.254 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.152 2.629 9.086 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.844 1.843 10.336 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.041 3.579 11.169 1.00 0.00 H new ATOM 0 HZ PHE A 84 -12.388 3.183 11.801 1.00 0.00 H new ATOM 1278 N LEU A 85 -8.958 -1.130 5.536 1.00 0.00 N ATOM 1279 CA LEU A 85 -8.472 -1.588 4.239 1.00 0.00 C ATOM 1280 C LEU A 85 -9.371 -2.684 3.676 1.00 0.00 C ATOM 1281 O LEU A 85 -9.455 -3.778 4.232 1.00 0.00 O ATOM 1282 CB LEU A 85 -7.037 -2.103 4.362 1.00 0.00 C ATOM 1283 CG LEU A 85 -6.165 -1.967 3.113 1.00 0.00 C ATOM 1284 CD1 LEU A 85 -4.698 -2.160 3.463 1.00 0.00 C ATOM 1285 CD2 LEU A 85 -6.597 -2.966 2.050 1.00 0.00 C ATOM 0 H LEU A 85 -8.233 -1.028 6.246 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.490 -0.741 3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.550 -1.571 5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.073 -3.156 4.643 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.293 -0.962 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.093 -2.060 2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.395 -1.406 4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.553 -3.153 3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.966 -2.855 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.499 -3.979 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.636 -2.781 1.778 1.00 0.00 H new ATOM 1297 N SER A 86 -10.040 -2.382 2.568 1.00 0.00 N ATOM 1298 CA SER A 86 -10.935 -3.341 1.930 1.00 0.00 C ATOM 1299 C SER A 86 -10.182 -4.191 0.911 1.00 0.00 C ATOM 1300 O SER A 86 -10.363 -5.408 0.846 1.00 0.00 O ATOM 1301 CB SER A 86 -12.094 -2.613 1.247 1.00 0.00 C ATOM 1302 OG SER A 86 -11.619 -1.588 0.392 1.00 0.00 O ATOM 0 H SER A 86 -9.979 -1.481 2.093 1.00 0.00 H new ATOM 0 HA SER A 86 -11.334 -3.999 2.703 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.687 -3.325 0.672 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.754 -2.185 2.002 1.00 0.00 H new ATOM 0 HG SER A 86 -12.359 -1.246 -0.152 1.00 0.00 H new ATOM 1308 N PHE A 87 -9.337 -3.542 0.117 1.00 0.00 N ATOM 1309 CA PHE A 87 -8.556 -4.237 -0.900 1.00 0.00 C ATOM 1310 C PHE A 87 -7.318 -3.431 -1.280 1.00 0.00 C ATOM 1311 O PHE A 87 -7.367 -2.205 -1.373 1.00 0.00 O ATOM 1312 CB PHE A 87 -9.412 -4.495 -2.142 1.00 0.00 C ATOM 1313 CG PHE A 87 -8.634 -5.048 -3.302 1.00 0.00 C ATOM 1314 CD1 PHE A 87 -8.054 -6.304 -3.228 1.00 0.00 C ATOM 1315 CD2 PHE A 87 -8.483 -4.311 -4.465 1.00 0.00 C ATOM 1316 CE1 PHE A 87 -7.338 -6.815 -4.294 1.00 0.00 C ATOM 1317 CE2 PHE A 87 -7.768 -4.817 -5.534 1.00 0.00 C ATOM 1318 CZ PHE A 87 -7.194 -6.070 -5.448 1.00 0.00 C ATOM 0 H PHE A 87 -9.175 -2.536 0.158 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.233 -5.192 -0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.210 -5.191 -1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.888 -3.563 -2.446 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.163 -6.890 -2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.929 -3.330 -4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.892 -7.796 -4.225 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.658 -4.233 -6.436 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.634 -6.467 -6.282 1.00 0.00 H new ATOM 1328 N MET A 88 -6.208 -4.130 -1.498 1.00 0.00 N ATOM 1329 CA MET A 88 -4.957 -3.480 -1.869 1.00 0.00 C ATOM 1330 C MET A 88 -4.340 -4.147 -3.094 1.00 0.00 C ATOM 1331 O MET A 88 -4.570 -5.327 -3.352 1.00 0.00 O ATOM 1332 CB MET A 88 -3.970 -3.521 -0.700 1.00 0.00 C ATOM 1333 CG MET A 88 -3.492 -4.923 -0.358 1.00 0.00 C ATOM 1334 SD MET A 88 -2.118 -4.923 0.810 1.00 0.00 S ATOM 1335 CE MET A 88 -3.000 -4.880 2.369 1.00 0.00 C ATOM 0 H MET A 88 -6.150 -5.146 -1.424 1.00 0.00 H new ATOM 0 HA MET A 88 -5.175 -2.441 -2.115 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.107 -2.900 -0.942 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.442 -3.082 0.179 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.321 -5.493 0.062 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.186 -5.432 -1.272 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.731 -3.975 2.914 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.073 -4.885 2.180 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.732 -5.754 2.963 1.00 0.00 H new ATOM 1345 N GLY A 89 -3.556 -3.381 -3.847 1.00 0.00 N ATOM 1346 CA GLY A 89 -2.919 -3.916 -5.037 1.00 0.00 C ATOM 1347 C GLY A 89 -2.017 -2.904 -5.716 1.00 0.00 C ATOM 1348 O GLY A 89 -1.983 -1.735 -5.331 1.00 0.00 O ATOM 0 H GLY A 89 -3.351 -2.401 -3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.335 -4.796 -4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.685 -4.244 -5.739 1.00 0.00 H new ATOM 1352 N VAL A 90 -1.282 -3.354 -6.728 1.00 0.00 N ATOM 1353 CA VAL A 90 -0.375 -2.480 -7.462 1.00 0.00 C ATOM 1354 C VAL A 90 -0.915 -2.170 -8.853 1.00 0.00 C ATOM 1355 O VAL A 90 -1.540 -3.017 -9.491 1.00 0.00 O ATOM 1356 CB VAL A 90 1.025 -3.108 -7.595 1.00 0.00 C ATOM 1357 CG1 VAL A 90 1.897 -2.279 -8.526 1.00 0.00 C ATOM 1358 CG2 VAL A 90 1.676 -3.251 -6.228 1.00 0.00 C ATOM 0 H VAL A 90 -1.297 -4.319 -7.058 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.297 -1.555 -6.891 1.00 0.00 H new ATOM 0 HB VAL A 90 0.918 -4.103 -8.027 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.882 -2.739 -8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.435 -2.233 -9.512 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.999 -1.270 -8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.664 -3.696 -6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.771 -2.268 -5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.060 -3.891 -5.597 1.00 0.00 H new ATOM 1368 N GLY A 91 -0.670 -0.950 -9.320 1.00 0.00 N ATOM 1369 CA GLY A 91 -1.139 -0.550 -10.634 1.00 0.00 C ATOM 1370 C GLY A 91 -0.389 -1.244 -11.753 1.00 0.00 C ATOM 1371 O GLY A 91 0.251 -2.274 -11.537 1.00 0.00 O ATOM 0 H GLY A 91 -0.155 -0.231 -8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.202 -0.773 -10.720 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.030 0.529 -10.742 1.00 0.00 H new ATOM 1375 N LYS A 92 -0.469 -0.682 -12.954 1.00 0.00 N ATOM 1376 CA LYS A 92 0.207 -1.254 -14.113 1.00 0.00 C ATOM 1377 C LYS A 92 1.706 -1.378 -13.863 1.00 0.00 C ATOM 1378 O LYS A 92 2.345 -2.327 -14.318 1.00 0.00 O ATOM 1379 CB LYS A 92 -0.044 -0.391 -15.352 1.00 0.00 C ATOM 1380 CG LYS A 92 -1.457 -0.506 -15.897 1.00 0.00 C ATOM 1381 CD LYS A 92 -1.888 0.769 -16.603 1.00 0.00 C ATOM 1382 CE LYS A 92 -1.266 0.878 -17.986 1.00 0.00 C ATOM 1383 NZ LYS A 92 -1.538 2.200 -18.615 1.00 0.00 N ATOM 0 H LYS A 92 -0.995 0.169 -13.151 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.199 -2.251 -14.283 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.158 0.651 -15.105 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.662 -0.676 -16.132 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.513 -1.344 -16.592 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.146 -0.722 -15.081 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.974 0.789 -16.689 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.600 1.633 -16.004 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.189 0.726 -17.913 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.657 0.085 -18.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.097 2.234 -19.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.565 2.335 -18.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.142 2.956 -18.020 1.00 0.00 H new ATOM 1397 N ASP A 93 2.262 -0.415 -13.136 1.00 0.00 N ATOM 1398 CA ASP A 93 3.686 -0.418 -12.822 1.00 0.00 C ATOM 1399 C ASP A 93 3.928 -0.907 -11.398 1.00 0.00 C ATOM 1400 O ASP A 93 3.304 -0.427 -10.451 1.00 0.00 O ATOM 1401 CB ASP A 93 4.272 0.983 -13.000 1.00 0.00 C ATOM 1402 CG ASP A 93 4.770 1.228 -14.411 1.00 0.00 C ATOM 1403 OD1 ASP A 93 5.222 0.259 -15.057 1.00 0.00 O ATOM 1404 OD2 ASP A 93 4.708 2.387 -14.870 1.00 0.00 O ATOM 0 H ASP A 93 1.748 0.378 -12.753 1.00 0.00 H new ATOM 0 HA ASP A 93 4.183 -1.101 -13.510 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.513 1.725 -12.752 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.095 1.121 -12.298 1.00 0.00 H new ATOM 1409 N VAL A 94 4.837 -1.866 -11.253 1.00 0.00 N ATOM 1410 CA VAL A 94 5.162 -2.420 -9.944 1.00 0.00 C ATOM 1411 C VAL A 94 5.633 -1.330 -8.987 1.00 0.00 C ATOM 1412 O VAL A 94 5.395 -1.403 -7.781 1.00 0.00 O ATOM 1413 CB VAL A 94 6.252 -3.503 -10.048 1.00 0.00 C ATOM 1414 CG1 VAL A 94 5.962 -4.442 -11.209 1.00 0.00 C ATOM 1415 CG2 VAL A 94 7.624 -2.865 -10.197 1.00 0.00 C ATOM 0 H VAL A 94 5.361 -2.275 -12.026 1.00 0.00 H new ATOM 0 HA VAL A 94 4.249 -2.870 -9.555 1.00 0.00 H new ATOM 0 HB VAL A 94 6.247 -4.089 -9.129 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.743 -5.201 -11.267 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.997 -4.925 -11.054 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.938 -3.874 -12.139 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.382 -3.645 -10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.645 -2.254 -11.099 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.830 -2.238 -9.329 1.00 0.00 H new ATOM 1425 N HIS A 95 6.303 -0.320 -9.533 1.00 0.00 N ATOM 1426 CA HIS A 95 6.807 0.786 -8.728 1.00 0.00 C ATOM 1427 C HIS A 95 5.668 1.485 -7.991 1.00 0.00 C ATOM 1428 O HIS A 95 5.868 2.065 -6.923 1.00 0.00 O ATOM 1429 CB HIS A 95 7.550 1.790 -9.610 1.00 0.00 C ATOM 1430 CG HIS A 95 8.532 1.153 -10.545 1.00 0.00 C ATOM 1431 ND1 HIS A 95 8.155 0.483 -11.690 1.00 0.00 N ATOM 1432 CD2 HIS A 95 9.883 1.088 -10.500 1.00 0.00 C ATOM 1433 CE1 HIS A 95 9.233 0.032 -12.308 1.00 0.00 C ATOM 1434 NE2 HIS A 95 10.294 0.387 -11.607 1.00 0.00 N ATOM 0 H HIS A 95 6.509 -0.245 -10.529 1.00 0.00 H new ATOM 0 HA HIS A 95 7.499 0.380 -7.990 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.824 2.358 -10.191 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.076 2.501 -8.973 1.00 0.00 H new ATOM 0 HD2 HIS A 95 10.519 1.509 -9.736 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.244 -0.531 -13.230 1.00 0.00 H new ATOM 0 HE2 HIS A 95 11.262 0.175 -11.849 1.00 0.00 H new ATOM 1443 N THR A 96 4.472 1.427 -8.568 1.00 0.00 N ATOM 1444 CA THR A 96 3.302 2.055 -7.968 1.00 0.00 C ATOM 1445 C THR A 96 2.618 1.115 -6.982 1.00 0.00 C ATOM 1446 O THR A 96 2.757 -0.105 -7.074 1.00 0.00 O ATOM 1447 CB THR A 96 2.283 2.486 -9.040 1.00 0.00 C ATOM 1448 OG1 THR A 96 1.762 1.334 -9.712 1.00 0.00 O ATOM 1449 CG2 THR A 96 2.926 3.422 -10.052 1.00 0.00 C ATOM 0 H THR A 96 4.288 0.951 -9.451 1.00 0.00 H new ATOM 0 HA THR A 96 3.656 2.939 -7.437 1.00 0.00 H new ATOM 0 HB THR A 96 1.469 3.016 -8.544 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.473 0.914 -10.240 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.187 3.713 -10.799 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.296 4.311 -9.542 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.756 2.913 -10.542 1.00 0.00 H new ATOM 1457 N PHE A 97 1.878 1.690 -6.039 1.00 0.00 N ATOM 1458 CA PHE A 97 1.172 0.902 -5.036 1.00 0.00 C ATOM 1459 C PHE A 97 -0.001 1.686 -4.456 1.00 0.00 C ATOM 1460 O PHE A 97 0.188 2.699 -3.782 1.00 0.00 O ATOM 1461 CB PHE A 97 2.129 0.490 -3.915 1.00 0.00 C ATOM 1462 CG PHE A 97 1.429 0.017 -2.673 1.00 0.00 C ATOM 1463 CD1 PHE A 97 0.685 -1.152 -2.684 1.00 0.00 C ATOM 1464 CD2 PHE A 97 1.515 0.740 -1.494 1.00 0.00 C ATOM 1465 CE1 PHE A 97 0.039 -1.589 -1.543 1.00 0.00 C ATOM 1466 CE2 PHE A 97 0.872 0.308 -0.350 1.00 0.00 C ATOM 1467 CZ PHE A 97 0.133 -0.859 -0.374 1.00 0.00 C ATOM 0 H PHE A 97 1.752 2.698 -5.949 1.00 0.00 H new ATOM 0 HA PHE A 97 0.783 0.006 -5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.782 -0.303 -4.279 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.767 1.337 -3.663 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.609 -1.728 -3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.092 1.653 -1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.539 -2.501 -1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.947 0.882 0.562 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.370 -1.200 0.519 1.00 0.00 H new ATOM 1477 N ALA A 98 -1.213 1.211 -4.723 1.00 0.00 N ATOM 1478 CA ALA A 98 -2.417 1.865 -4.227 1.00 0.00 C ATOM 1479 C ALA A 98 -3.246 0.914 -3.370 1.00 0.00 C ATOM 1480 O ALA A 98 -3.261 -0.294 -3.604 1.00 0.00 O ATOM 1481 CB ALA A 98 -3.248 2.392 -5.388 1.00 0.00 C ATOM 0 H ALA A 98 -1.387 0.375 -5.281 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.113 2.704 -3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.144 2.878 -5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.661 3.112 -5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.534 1.564 -6.036 1.00 0.00 H new ATOM 1487 N PHE A 99 -3.934 1.468 -2.377 1.00 0.00 N ATOM 1488 CA PHE A 99 -4.764 0.668 -1.484 1.00 0.00 C ATOM 1489 C PHE A 99 -6.106 1.350 -1.232 1.00 0.00 C ATOM 1490 O PHE A 99 -6.177 2.571 -1.095 1.00 0.00 O ATOM 1491 CB PHE A 99 -4.041 0.434 -0.155 1.00 0.00 C ATOM 1492 CG PHE A 99 -3.854 1.685 0.654 1.00 0.00 C ATOM 1493 CD1 PHE A 99 -4.883 2.179 1.438 1.00 0.00 C ATOM 1494 CD2 PHE A 99 -2.648 2.367 0.630 1.00 0.00 C ATOM 1495 CE1 PHE A 99 -4.714 3.330 2.185 1.00 0.00 C ATOM 1496 CE2 PHE A 99 -2.473 3.518 1.374 1.00 0.00 C ATOM 1497 CZ PHE A 99 -3.508 4.001 2.152 1.00 0.00 C ATOM 0 H PHE A 99 -3.933 2.467 -2.171 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.949 -0.293 -1.964 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.605 -0.289 0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.065 -0.009 -0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.829 1.659 1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.836 1.995 0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.524 3.704 2.793 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.528 4.040 1.348 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.374 4.901 2.733 1.00 0.00 H new ATOM 1507 N ILE A 100 -7.166 0.551 -1.174 1.00 0.00 N ATOM 1508 CA ILE A 100 -8.505 1.077 -0.939 1.00 0.00 C ATOM 1509 C ILE A 100 -8.902 0.934 0.526 1.00 0.00 C ATOM 1510 O ILE A 100 -8.907 -0.167 1.074 1.00 0.00 O ATOM 1511 CB ILE A 100 -9.552 0.363 -1.815 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -9.273 0.624 -3.297 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -10.954 0.822 -1.445 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -9.955 -0.359 -4.222 1.00 0.00 C ATOM 0 H ILE A 100 -7.124 -0.462 -1.286 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.480 2.134 -1.205 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.483 -0.710 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.600 1.633 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.197 0.585 -3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.682 0.309 -2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.149 0.589 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.037 1.898 -1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.713 -0.114 -5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.610 -1.369 -3.998 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.034 -0.304 -4.079 1.00 0.00 H new ATOM 1526 N MET A 101 -9.237 2.057 1.154 1.00 0.00 N ATOM 1527 CA MET A 101 -9.639 2.056 2.556 1.00 0.00 C ATOM 1528 C MET A 101 -11.087 2.512 2.707 1.00 0.00 C ATOM 1529 O MET A 101 -11.616 3.223 1.852 1.00 0.00 O ATOM 1530 CB MET A 101 -8.719 2.965 3.373 1.00 0.00 C ATOM 1531 CG MET A 101 -8.847 4.437 3.017 1.00 0.00 C ATOM 1532 SD MET A 101 -7.560 5.449 3.773 1.00 0.00 S ATOM 1533 CE MET A 101 -8.418 6.064 5.219 1.00 0.00 C ATOM 0 H MET A 101 -9.238 2.978 0.715 1.00 0.00 H new ATOM 0 HA MET A 101 -9.557 1.036 2.931 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.941 2.835 4.432 1.00 0.00 H new ATOM 0 HB3 MET A 101 -7.686 2.652 3.223 1.00 0.00 H new ATOM 0 HG2 MET A 101 -8.803 4.550 1.934 1.00 0.00 H new ATOM 0 HG3 MET A 101 -9.824 4.800 3.336 1.00 0.00 H new ATOM 0 HE1 MET A 101 -7.691 6.366 5.973 1.00 0.00 H new ATOM 0 HE2 MET A 101 -9.030 6.922 4.941 1.00 0.00 H new ATOM 0 HE3 MET A 101 -9.056 5.279 5.625 1.00 0.00 H new ATOM 1543 N ASP A 102 -11.723 2.098 3.797 1.00 0.00 N ATOM 1544 CA ASP A 102 -13.110 2.464 4.059 1.00 0.00 C ATOM 1545 C ASP A 102 -13.189 3.591 5.085 1.00 0.00 C ATOM 1546 O ASP A 102 -12.852 3.406 6.254 1.00 0.00 O ATOM 1547 CB ASP A 102 -13.895 1.250 4.556 1.00 0.00 C ATOM 1548 CG ASP A 102 -13.873 0.102 3.566 1.00 0.00 C ATOM 1549 OD1 ASP A 102 -12.772 -0.262 3.102 1.00 0.00 O ATOM 1550 OD2 ASP A 102 -14.958 -0.434 3.256 1.00 0.00 O ATOM 0 H ASP A 102 -11.300 1.508 4.514 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.551 2.814 3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -13.478 0.915 5.506 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.928 1.542 4.747 1.00 0.00 H new ATOM 1555 N THR A 103 -13.637 4.760 4.638 1.00 0.00 N ATOM 1556 CA THR A 103 -13.759 5.918 5.515 1.00 0.00 C ATOM 1557 C THR A 103 -15.141 5.980 6.154 1.00 0.00 C ATOM 1558 O THR A 103 -15.270 6.208 7.356 1.00 0.00 O ATOM 1559 CB THR A 103 -13.499 7.231 4.752 1.00 0.00 C ATOM 1560 OG1 THR A 103 -14.484 7.405 3.727 1.00 0.00 O ATOM 1561 CG2 THR A 103 -12.110 7.231 4.132 1.00 0.00 C ATOM 0 H THR A 103 -13.921 4.930 3.673 1.00 0.00 H new ATOM 0 HA THR A 103 -13.006 5.805 6.295 1.00 0.00 H new ATOM 0 HB THR A 103 -13.563 8.056 5.461 1.00 0.00 H new ATOM 0 HG1 THR A 103 -14.313 8.243 3.248 1.00 0.00 H new ATOM 0 HG21 THR A 103 -11.950 8.168 3.599 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.361 7.128 4.917 1.00 0.00 H new ATOM 0 HG23 THR A 103 -12.023 6.397 3.435 1.00 0.00 H new ATOM 1607 N ARG A 107 -18.690 4.533 0.638 1.00 0.00 N ATOM 1608 CA ARG A 107 -17.681 5.360 -0.012 1.00 0.00 C ATOM 1609 C ARG A 107 -16.276 4.925 0.396 1.00 0.00 C ATOM 1610 O ARG A 107 -15.915 4.976 1.572 1.00 0.00 O ATOM 1611 CB ARG A 107 -17.893 6.833 0.343 1.00 0.00 C ATOM 1612 CG ARG A 107 -17.474 7.184 1.761 1.00 0.00 C ATOM 1613 CD ARG A 107 -18.193 8.427 2.262 1.00 0.00 C ATOM 1614 NE ARG A 107 -17.619 9.652 1.710 1.00 0.00 N ATOM 1615 CZ ARG A 107 -18.256 10.817 1.690 1.00 0.00 C ATOM 1616 NH1 ARG A 107 -19.481 10.916 2.188 1.00 0.00 N ATOM 1617 NH2 ARG A 107 -17.668 11.887 1.170 1.00 0.00 N ATOM 0 HA ARG A 107 -17.783 5.234 -1.090 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -17.330 7.451 -0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -18.946 7.082 0.212 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.690 6.346 2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.397 7.347 1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -19.248 8.368 1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.142 8.461 3.350 1.00 0.00 H new ATOM 0 HE ARG A 107 -16.678 9.610 1.319 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -19.937 10.096 2.588 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -19.967 11.812 2.171 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -16.726 11.815 0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -18.158 12.781 1.155 1.00 0.00 H new ATOM 1631 N PHE A 108 -15.488 4.495 -0.584 1.00 0.00 N ATOM 1632 CA PHE A 108 -14.123 4.050 -0.328 1.00 0.00 C ATOM 1633 C PHE A 108 -13.114 4.965 -1.015 1.00 0.00 C ATOM 1634 O PHE A 108 -13.330 5.408 -2.142 1.00 0.00 O ATOM 1635 CB PHE A 108 -13.935 2.610 -0.812 1.00 0.00 C ATOM 1636 CG PHE A 108 -15.060 1.695 -0.422 1.00 0.00 C ATOM 1637 CD1 PHE A 108 -15.502 1.639 0.890 1.00 0.00 C ATOM 1638 CD2 PHE A 108 -15.674 0.889 -1.367 1.00 0.00 C ATOM 1639 CE1 PHE A 108 -16.538 0.798 1.252 1.00 0.00 C ATOM 1640 CE2 PHE A 108 -16.710 0.046 -1.011 1.00 0.00 C ATOM 1641 CZ PHE A 108 -17.142 0.000 0.301 1.00 0.00 C ATOM 0 H PHE A 108 -15.771 4.445 -1.563 1.00 0.00 H new ATOM 0 HA PHE A 108 -13.950 4.091 0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.837 2.610 -1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -13.002 2.218 -0.408 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -15.032 2.259 1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -15.339 0.920 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -16.874 0.765 2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -17.181 -0.576 -1.757 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.950 -0.659 0.582 1.00 0.00 H new ATOM 1651 N GLU A 109 -12.012 5.244 -0.325 1.00 0.00 N ATOM 1652 CA GLU A 109 -10.970 6.108 -0.868 1.00 0.00 C ATOM 1653 C GLU A 109 -9.731 5.298 -1.240 1.00 0.00 C ATOM 1654 O GLU A 109 -9.242 4.493 -0.447 1.00 0.00 O ATOM 1655 CB GLU A 109 -10.599 7.194 0.143 1.00 0.00 C ATOM 1656 CG GLU A 109 -11.745 8.135 0.474 1.00 0.00 C ATOM 1657 CD GLU A 109 -12.388 8.730 -0.764 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -11.664 9.355 -1.566 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -13.615 8.568 -0.930 1.00 0.00 O ATOM 0 H GLU A 109 -11.818 4.885 0.610 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.358 6.580 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.252 6.720 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.765 7.775 -0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.499 7.595 1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.377 8.940 1.110 1.00 0.00 H new ATOM 1666 N CYS A 110 -9.229 5.518 -2.450 1.00 0.00 N ATOM 1667 CA CYS A 110 -8.048 4.809 -2.928 1.00 0.00 C ATOM 1668 C CYS A 110 -6.850 5.749 -3.023 1.00 0.00 C ATOM 1669 O CYS A 110 -6.839 6.677 -3.831 1.00 0.00 O ATOM 1670 CB CYS A 110 -8.325 4.176 -4.292 1.00 0.00 C ATOM 1671 SG CYS A 110 -7.259 2.769 -4.684 1.00 0.00 S ATOM 0 H CYS A 110 -9.622 6.182 -3.118 1.00 0.00 H new ATOM 0 HA CYS A 110 -7.813 4.022 -2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -9.365 3.850 -4.325 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -8.204 4.936 -5.064 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.260 2.568 -5.968 1.00 0.00 H new ATOM 1677 N HIS A 111 -5.844 5.502 -2.190 1.00 0.00 N ATOM 1678 CA HIS A 111 -4.641 6.327 -2.180 1.00 0.00 C ATOM 1679 C HIS A 111 -3.555 5.716 -3.059 1.00 0.00 C ATOM 1680 O HIS A 111 -3.508 4.501 -3.251 1.00 0.00 O ATOM 1681 CB HIS A 111 -4.124 6.493 -0.750 1.00 0.00 C ATOM 1682 CG HIS A 111 -5.102 7.159 0.167 1.00 0.00 C ATOM 1683 ND1 HIS A 111 -5.306 8.523 0.188 1.00 0.00 N ATOM 1684 CD2 HIS A 111 -5.936 6.641 1.099 1.00 0.00 C ATOM 1685 CE1 HIS A 111 -6.222 8.815 1.094 1.00 0.00 C ATOM 1686 NE2 HIS A 111 -6.621 7.690 1.661 1.00 0.00 N ATOM 0 H HIS A 111 -5.838 4.738 -1.514 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.899 7.307 -2.582 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.871 5.512 -0.348 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -3.203 7.076 -0.771 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -6.043 5.597 1.353 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -6.583 9.805 1.331 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -7.324 7.613 2.396 1.00 0.00 H new ATOM 1694 N VAL A 112 -2.683 6.566 -3.592 1.00 0.00 N ATOM 1695 CA VAL A 112 -1.597 6.110 -4.451 1.00 0.00 C ATOM 1696 C VAL A 112 -0.252 6.635 -3.962 1.00 0.00 C ATOM 1697 O VAL A 112 -0.128 7.801 -3.587 1.00 0.00 O ATOM 1698 CB VAL A 112 -1.810 6.555 -5.910 1.00 0.00 C ATOM 1699 CG1 VAL A 112 -0.751 5.943 -6.815 1.00 0.00 C ATOM 1700 CG2 VAL A 112 -3.207 6.181 -6.382 1.00 0.00 C ATOM 0 H VAL A 112 -2.708 7.575 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.596 5.021 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.713 7.640 -5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.918 6.269 -7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 112 0.238 6.265 -6.488 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -0.813 4.856 -6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.340 6.503 -7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.335 5.100 -6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.948 6.671 -5.751 1.00 0.00 H new ATOM 1710 N PHE A 113 0.754 5.767 -3.969 1.00 0.00 N ATOM 1711 CA PHE A 113 2.092 6.143 -3.526 1.00 0.00 C ATOM 1712 C PHE A 113 3.159 5.405 -4.330 1.00 0.00 C ATOM 1713 O PHE A 113 3.144 4.177 -4.420 1.00 0.00 O ATOM 1714 CB PHE A 113 2.261 5.843 -2.036 1.00 0.00 C ATOM 1715 CG PHE A 113 1.174 6.427 -1.179 1.00 0.00 C ATOM 1716 CD1 PHE A 113 0.018 5.709 -0.920 1.00 0.00 C ATOM 1717 CD2 PHE A 113 1.308 7.694 -0.635 1.00 0.00 C ATOM 1718 CE1 PHE A 113 -0.985 6.243 -0.132 1.00 0.00 C ATOM 1719 CE2 PHE A 113 0.309 8.233 0.154 1.00 0.00 C ATOM 1720 CZ PHE A 113 -0.839 7.508 0.405 1.00 0.00 C ATOM 0 H PHE A 113 0.668 4.798 -4.277 1.00 0.00 H new ATOM 0 HA PHE A 113 2.215 7.214 -3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 113 2.285 4.763 -1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.223 6.231 -1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.101 4.721 -1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.203 8.267 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.881 5.672 0.063 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.426 9.221 0.574 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.621 7.929 1.020 1.00 0.00 H new ATOM 1730 N TRP A 114 4.082 6.162 -4.911 1.00 0.00 N ATOM 1731 CA TRP A 114 5.156 5.580 -5.708 1.00 0.00 C ATOM 1732 C TRP A 114 6.273 5.052 -4.813 1.00 0.00 C ATOM 1733 O TRP A 114 6.882 5.807 -4.055 1.00 0.00 O ATOM 1734 CB TRP A 114 5.715 6.617 -6.683 1.00 0.00 C ATOM 1735 CG TRP A 114 6.791 6.075 -7.574 1.00 0.00 C ATOM 1736 CD1 TRP A 114 8.116 5.938 -7.270 1.00 0.00 C ATOM 1737 CD2 TRP A 114 6.634 5.599 -8.916 1.00 0.00 C ATOM 1738 NE1 TRP A 114 8.791 5.406 -8.342 1.00 0.00 N ATOM 1739 CE2 TRP A 114 7.905 5.188 -9.363 1.00 0.00 C ATOM 1740 CE3 TRP A 114 5.544 5.478 -9.781 1.00 0.00 C ATOM 1741 CZ2 TRP A 114 8.113 4.668 -10.638 1.00 0.00 C ATOM 1742 CZ3 TRP A 114 5.752 4.962 -11.046 1.00 0.00 C ATOM 1743 CH2 TRP A 114 7.028 4.561 -11.464 1.00 0.00 C ATOM 0 H TRP A 114 4.109 7.180 -4.846 1.00 0.00 H new ATOM 0 HA TRP A 114 4.743 4.745 -6.274 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.902 7.001 -7.299 1.00 0.00 H new ATOM 0 HB3 TRP A 114 6.112 7.460 -6.117 1.00 0.00 H new ATOM 0 HD1 TRP A 114 8.566 6.208 -6.326 1.00 0.00 H new ATOM 0 HE1 TRP A 114 9.791 5.206 -8.372 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.556 5.782 -9.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 9.096 4.360 -10.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.917 4.866 -11.724 1.00 0.00 H new ATOM 0 HH2 TRP A 114 7.157 4.159 -12.458 1.00 0.00 H new ATOM 1754 N CYS A 115 6.536 3.753 -4.906 1.00 0.00 N ATOM 1755 CA CYS A 115 7.579 3.125 -4.104 1.00 0.00 C ATOM 1756 C CYS A 115 8.913 3.132 -4.845 1.00 0.00 C ATOM 1757 O CYS A 115 8.956 3.303 -6.063 1.00 0.00 O ATOM 1758 CB CYS A 115 7.186 1.690 -3.752 1.00 0.00 C ATOM 1759 SG CYS A 115 5.641 1.555 -2.821 1.00 0.00 S ATOM 0 H CYS A 115 6.041 3.115 -5.529 1.00 0.00 H new ATOM 0 HA CYS A 115 7.691 3.699 -3.184 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.095 1.113 -4.673 1.00 0.00 H new ATOM 0 HB3 CYS A 115 7.989 1.237 -3.171 1.00 0.00 H new ATOM 0 HG CYS A 115 5.392 0.303 -2.573 1.00 0.00 H new ATOM 1765 N GLU A 116 9.998 2.947 -4.100 1.00 0.00 N ATOM 1766 CA GLU A 116 11.333 2.935 -4.687 1.00 0.00 C ATOM 1767 C GLU A 116 12.234 1.936 -3.968 1.00 0.00 C ATOM 1768 O GLU A 116 12.345 1.931 -2.742 1.00 0.00 O ATOM 1769 CB GLU A 116 11.953 4.333 -4.627 1.00 0.00 C ATOM 1770 CG GLU A 116 11.205 5.367 -5.451 1.00 0.00 C ATOM 1771 CD GLU A 116 11.706 5.449 -6.879 1.00 0.00 C ATOM 1772 OE1 GLU A 116 11.900 4.384 -7.502 1.00 0.00 O ATOM 1773 OE2 GLU A 116 11.906 6.578 -7.375 1.00 0.00 O ATOM 0 H GLU A 116 9.979 2.804 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 116 11.241 2.630 -5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.985 4.663 -3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.984 4.279 -4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.143 5.123 -5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 116 11.305 6.344 -4.978 1.00 0.00 H new ATOM 1780 N PRO A 117 12.894 1.067 -4.748 1.00 0.00 N ATOM 1781 CA PRO A 117 12.769 1.062 -6.209 1.00 0.00 C ATOM 1782 C PRO A 117 11.397 0.586 -6.672 1.00 0.00 C ATOM 1783 O PRO A 117 10.758 1.224 -7.509 1.00 0.00 O ATOM 1784 CB PRO A 117 13.854 0.078 -6.654 1.00 0.00 C ATOM 1785 CG PRO A 117 14.051 -0.824 -5.485 1.00 0.00 C ATOM 1786 CD PRO A 117 13.812 0.021 -4.265 1.00 0.00 C ATOM 0 HA PRO A 117 12.880 2.061 -6.631 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.544 -0.481 -7.537 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.777 0.597 -6.913 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.358 -1.664 -5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.058 -1.241 -5.479 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.370 -0.559 -3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.740 0.446 -3.883 1.00 0.00 H new ATOM 1794 N ASN A 118 10.948 -0.538 -6.122 1.00 0.00 N ATOM 1795 CA ASN A 118 9.650 -1.098 -6.480 1.00 0.00 C ATOM 1796 C ASN A 118 8.791 -1.317 -5.238 1.00 0.00 C ATOM 1797 O ASN A 118 9.200 -0.992 -4.123 1.00 0.00 O ATOM 1798 CB ASN A 118 9.831 -2.421 -7.227 1.00 0.00 C ATOM 1799 CG ASN A 118 10.987 -3.239 -6.684 1.00 0.00 C ATOM 1800 OD1 ASN A 118 11.124 -3.265 -5.363 1.00 0.00 O flip ATOM 1801 ND2 ASN A 118 11.747 -3.840 -7.443 1.00 0.00 N flip ATOM 0 H ASN A 118 11.464 -1.078 -5.427 1.00 0.00 H new ATOM 0 HA ASN A 118 9.142 -0.386 -7.131 1.00 0.00 H new ATOM 0 HB2 ASN A 118 8.912 -3.004 -7.156 1.00 0.00 H new ATOM 0 HB3 ASN A 118 9.999 -2.218 -8.285 1.00 0.00 H new ATOM 0 HD21 ASN A 118 11.604 -3.792 -8.452 1.00 0.00 H new ATOM 0 HD22 ASN A 118 12.520 -4.386 -7.063 1.00 0.00 H new ATOM 1808 N ALA A 119 7.600 -1.871 -5.439 1.00 0.00 N ATOM 1809 CA ALA A 119 6.685 -2.135 -4.336 1.00 0.00 C ATOM 1810 C ALA A 119 6.776 -3.589 -3.884 1.00 0.00 C ATOM 1811 O ALA A 119 5.759 -4.237 -3.638 1.00 0.00 O ATOM 1812 CB ALA A 119 5.258 -1.795 -4.740 1.00 0.00 C ATOM 0 H ALA A 119 7.246 -2.146 -6.355 1.00 0.00 H new ATOM 0 HA ALA A 119 6.974 -1.501 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.586 -1.997 -3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.197 -0.740 -5.008 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.967 -2.404 -5.596 1.00 0.00 H new ATOM 1818 N ALA A 120 8.000 -4.095 -3.776 1.00 0.00 N ATOM 1819 CA ALA A 120 8.223 -5.471 -3.352 1.00 0.00 C ATOM 1820 C ALA A 120 8.176 -5.592 -1.833 1.00 0.00 C ATOM 1821 O ALA A 120 7.497 -6.462 -1.291 1.00 0.00 O ATOM 1822 CB ALA A 120 9.556 -5.978 -3.884 1.00 0.00 C ATOM 0 H ALA A 120 8.852 -3.572 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 120 7.423 -6.086 -3.764 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.710 -7.007 -3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.552 -5.938 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.362 -5.353 -3.501 1.00 0.00 H new ATOM 1828 N ASN A 121 8.905 -4.714 -1.151 1.00 0.00 N ATOM 1829 CA ASN A 121 8.948 -4.724 0.306 1.00 0.00 C ATOM 1830 C ASN A 121 7.715 -4.040 0.891 1.00 0.00 C ATOM 1831 O ASN A 121 7.161 -4.488 1.895 1.00 0.00 O ATOM 1832 CB ASN A 121 10.215 -4.028 0.805 1.00 0.00 C ATOM 1833 CG ASN A 121 11.416 -4.953 0.818 1.00 0.00 C ATOM 1834 OD1 ASN A 121 11.926 -5.312 1.880 1.00 0.00 O ATOM 1835 ND2 ASN A 121 11.875 -5.345 -0.366 1.00 0.00 N ATOM 0 H ASN A 121 9.474 -3.987 -1.585 1.00 0.00 H new ATOM 0 HA ASN A 121 8.958 -5.762 0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 121 10.429 -3.169 0.169 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.044 -3.645 1.811 1.00 0.00 H new ATOM 0 HD21 ASN A 121 12.681 -5.968 -0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 121 11.421 -5.023 -1.221 1.00 0.00 H new ATOM 1842 N VAL A 122 7.291 -2.952 0.256 1.00 0.00 N ATOM 1843 CA VAL A 122 6.123 -2.207 0.711 1.00 0.00 C ATOM 1844 C VAL A 122 4.896 -3.108 0.797 1.00 0.00 C ATOM 1845 O VAL A 122 4.353 -3.333 1.878 1.00 0.00 O ATOM 1846 CB VAL A 122 5.813 -1.023 -0.224 1.00 0.00 C ATOM 1847 CG1 VAL A 122 4.485 -0.383 0.148 1.00 0.00 C ATOM 1848 CG2 VAL A 122 6.939 -0.001 -0.178 1.00 0.00 C ATOM 0 H VAL A 122 7.739 -2.567 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 122 6.359 -1.824 1.704 1.00 0.00 H new ATOM 0 HB VAL A 122 5.734 -1.398 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.283 0.452 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.688 -1.121 0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.531 -0.020 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.704 0.829 -0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.051 0.371 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.870 -0.470 -0.497 1.00 0.00 H new ATOM 1858 N SER A 123 4.464 -3.621 -0.351 1.00 0.00 N ATOM 1859 CA SER A 123 3.299 -4.495 -0.406 1.00 0.00 C ATOM 1860 C SER A 123 3.512 -5.741 0.448 1.00 0.00 C ATOM 1861 O SER A 123 2.584 -6.233 1.089 1.00 0.00 O ATOM 1862 CB SER A 123 3.006 -4.900 -1.853 1.00 0.00 C ATOM 1863 OG SER A 123 2.405 -3.835 -2.568 1.00 0.00 O ATOM 0 H SER A 123 4.903 -3.446 -1.255 1.00 0.00 H new ATOM 0 HA SER A 123 2.446 -3.945 -0.009 1.00 0.00 H new ATOM 0 HB2 SER A 123 3.932 -5.196 -2.346 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.347 -5.768 -1.865 1.00 0.00 H new ATOM 0 HG SER A 123 1.572 -4.146 -2.980 1.00 0.00 H new ATOM 1869 N GLU A 124 4.742 -6.245 0.451 1.00 0.00 N ATOM 1870 CA GLU A 124 5.078 -7.434 1.227 1.00 0.00 C ATOM 1871 C GLU A 124 4.872 -7.187 2.718 1.00 0.00 C ATOM 1872 O GLU A 124 4.397 -8.061 3.443 1.00 0.00 O ATOM 1873 CB GLU A 124 6.527 -7.850 0.963 1.00 0.00 C ATOM 1874 CG GLU A 124 6.973 -9.051 1.779 1.00 0.00 C ATOM 1875 CD GLU A 124 8.116 -9.806 1.128 1.00 0.00 C ATOM 1876 OE1 GLU A 124 9.078 -9.151 0.676 1.00 0.00 O ATOM 1877 OE2 GLU A 124 8.048 -11.052 1.070 1.00 0.00 O ATOM 0 H GLU A 124 5.522 -5.849 -0.074 1.00 0.00 H new ATOM 0 HA GLU A 124 4.414 -8.240 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.644 -8.078 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.184 -7.008 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 124 7.280 -8.718 2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.128 -9.726 1.917 1.00 0.00 H new ATOM 1884 N ALA A 125 5.233 -5.990 3.169 1.00 0.00 N ATOM 1885 CA ALA A 125 5.086 -5.627 4.573 1.00 0.00 C ATOM 1886 C ALA A 125 3.625 -5.367 4.924 1.00 0.00 C ATOM 1887 O ALA A 125 3.051 -6.043 5.777 1.00 0.00 O ATOM 1888 CB ALA A 125 5.934 -4.404 4.893 1.00 0.00 C ATOM 0 H ALA A 125 5.629 -5.256 2.582 1.00 0.00 H new ATOM 0 HA ALA A 125 5.433 -6.465 5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.815 -4.144 5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.982 -4.625 4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.613 -3.567 4.273 1.00 0.00 H new ATOM 1894 N VAL A 126 3.029 -4.382 4.260 1.00 0.00 N ATOM 1895 CA VAL A 126 1.634 -4.032 4.501 1.00 0.00 C ATOM 1896 C VAL A 126 0.730 -5.253 4.366 1.00 0.00 C ATOM 1897 O VAL A 126 -0.223 -5.418 5.127 1.00 0.00 O ATOM 1898 CB VAL A 126 1.152 -2.941 3.527 1.00 0.00 C ATOM 1899 CG1 VAL A 126 1.277 -3.416 2.087 1.00 0.00 C ATOM 1900 CG2 VAL A 126 -0.281 -2.541 3.842 1.00 0.00 C ATOM 0 H VAL A 126 3.490 -3.812 3.551 1.00 0.00 H new ATOM 0 HA VAL A 126 1.575 -3.650 5.520 1.00 0.00 H new ATOM 0 HB VAL A 126 1.786 -2.063 3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.932 -2.631 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.320 -3.648 1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.669 -4.310 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -0.605 -1.769 3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -0.931 -3.411 3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -0.336 -2.156 4.860 1.00 0.00 H new ATOM 1910 N GLN A 127 1.037 -6.105 3.394 1.00 0.00 N ATOM 1911 CA GLN A 127 0.252 -7.311 3.160 1.00 0.00 C ATOM 1912 C GLN A 127 0.213 -8.186 4.409 1.00 0.00 C ATOM 1913 O GLN A 127 -0.860 -8.526 4.906 1.00 0.00 O ATOM 1914 CB GLN A 127 0.832 -8.103 1.987 1.00 0.00 C ATOM 1915 CG GLN A 127 0.186 -9.466 1.794 1.00 0.00 C ATOM 1916 CD GLN A 127 0.844 -10.272 0.691 1.00 0.00 C ATOM 1917 OE1 GLN A 127 1.904 -10.867 0.889 1.00 0.00 O ATOM 1918 NE2 GLN A 127 0.217 -10.297 -0.479 1.00 0.00 N ATOM 0 H GLN A 127 1.823 -5.983 2.756 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.767 -7.009 2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.714 -7.521 1.073 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.902 -8.236 2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.239 -10.025 2.728 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.871 -9.334 1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -0.660 -9.789 -0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 127 0.612 -10.824 -1.258 1.00 0.00 H new ATOM 1927 N ALA A 128 1.389 -8.546 4.910 1.00 0.00 N ATOM 1928 CA ALA A 128 1.489 -9.380 6.102 1.00 0.00 C ATOM 1929 C ALA A 128 0.935 -8.657 7.325 1.00 0.00 C ATOM 1930 O ALA A 128 0.198 -9.239 8.121 1.00 0.00 O ATOM 1931 CB ALA A 128 2.934 -9.791 6.339 1.00 0.00 C ATOM 0 H ALA A 128 2.287 -8.273 4.509 1.00 0.00 H new ATOM 0 HA ALA A 128 0.890 -10.276 5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.994 -10.413 7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.298 -10.354 5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.548 -8.901 6.476 1.00 0.00 H new ATOM 1937 N ALA A 129 1.295 -7.386 7.469 1.00 0.00 N ATOM 1938 CA ALA A 129 0.833 -6.584 8.595 1.00 0.00 C ATOM 1939 C ALA A 129 -0.632 -6.869 8.908 1.00 0.00 C ATOM 1940 O ALA A 129 -0.993 -7.120 10.058 1.00 0.00 O ATOM 1941 CB ALA A 129 1.035 -5.104 8.307 1.00 0.00 C ATOM 0 H ALA A 129 1.905 -6.890 6.820 1.00 0.00 H new ATOM 0 HA ALA A 129 1.424 -6.857 9.470 1.00 0.00 H new ATOM 0 HB1 ALA A 129 0.686 -4.517 9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 129 2.094 -4.907 8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 129 0.470 -4.826 7.417 1.00 0.00 H new ATOM 1947 N CYS A 130 -1.470 -6.829 7.879 1.00 0.00 N ATOM 1948 CA CYS A 130 -2.897 -7.082 8.045 1.00 0.00 C ATOM 1949 C CYS A 130 -3.142 -8.127 9.128 1.00 0.00 C ATOM 1950 O CYS A 130 -4.071 -8.002 9.926 1.00 0.00 O ATOM 1951 CB CYS A 130 -3.511 -7.547 6.723 1.00 0.00 C ATOM 1952 SG CYS A 130 -3.504 -6.290 5.423 1.00 0.00 S ATOM 0 H CYS A 130 -1.187 -6.624 6.921 1.00 0.00 H new ATOM 0 HA CYS A 130 -3.373 -6.150 8.351 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -2.966 -8.423 6.370 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -4.539 -7.862 6.903 1.00 0.00 H new ATOM 0 HG CYS A 130 -3.988 -6.796 4.328 1.00 0.00 H new ATOM 2337 N HIS A 163 6.467 -11.704 -6.596 1.00 0.00 N ATOM 2338 CA HIS A 163 5.489 -11.147 -5.668 1.00 0.00 C ATOM 2339 C HIS A 163 4.859 -9.880 -6.239 1.00 0.00 C ATOM 2340 O HIS A 163 3.635 -9.744 -6.274 1.00 0.00 O ATOM 2341 CB HIS A 163 6.147 -10.841 -4.322 1.00 0.00 C ATOM 2342 CG HIS A 163 5.475 -9.740 -3.563 1.00 0.00 C ATOM 2343 ND1 HIS A 163 4.144 -9.776 -3.205 1.00 0.00 N ATOM 2344 CD2 HIS A 163 5.958 -8.567 -3.090 1.00 0.00 C ATOM 2345 CE1 HIS A 163 3.836 -8.672 -2.548 1.00 0.00 C ATOM 2346 NE2 HIS A 163 4.920 -7.922 -2.464 1.00 0.00 N ATOM 0 HA HIS A 163 4.703 -11.888 -5.519 1.00 0.00 H new ATOM 0 HB2 HIS A 163 6.145 -11.745 -3.713 1.00 0.00 H new ATOM 0 HB3 HIS A 163 7.190 -10.571 -4.490 1.00 0.00 H new ATOM 0 HD1 HIS A 163 3.498 -10.537 -3.415 1.00 0.00 H new ATOM 0 HD2 HIS A 163 6.971 -8.206 -3.187 1.00 0.00 H new ATOM 0 HE1 HIS A 163 2.864 -8.425 -2.148 1.00 0.00 H new ATOM 2354 N LEU A 164 5.702 -8.955 -6.684 1.00 0.00 N ATOM 2355 CA LEU A 164 5.228 -7.698 -7.253 1.00 0.00 C ATOM 2356 C LEU A 164 4.132 -7.946 -8.284 1.00 0.00 C ATOM 2357 O LEU A 164 3.218 -7.136 -8.440 1.00 0.00 O ATOM 2358 CB LEU A 164 6.388 -6.938 -7.898 1.00 0.00 C ATOM 2359 CG LEU A 164 7.441 -6.381 -6.939 1.00 0.00 C ATOM 2360 CD1 LEU A 164 8.789 -6.267 -7.635 1.00 0.00 C ATOM 2361 CD2 LEU A 164 7.004 -5.029 -6.394 1.00 0.00 C ATOM 0 H LEU A 164 6.717 -9.052 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 164 4.812 -7.096 -6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.884 -7.604 -8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 164 5.977 -6.110 -8.476 1.00 0.00 H new ATOM 0 HG LEU A 164 7.544 -7.071 -6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 164 9.526 -5.869 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 164 9.107 -7.252 -7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 164 8.701 -5.598 -8.491 1.00 0.00 H new ATOM 0 HD21 LEU A 164 7.765 -4.648 -5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 164 6.872 -4.329 -7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 164 6.061 -5.140 -5.858 1.00 0.00 H new ATOM 2373 N SER A 165 4.228 -9.072 -8.984 1.00 0.00 N ATOM 2374 CA SER A 165 3.246 -9.426 -10.001 1.00 0.00 C ATOM 2375 C SER A 165 1.924 -9.838 -9.360 1.00 0.00 C ATOM 2376 O SER A 165 0.863 -9.320 -9.708 1.00 0.00 O ATOM 2377 CB SER A 165 3.776 -10.562 -10.879 1.00 0.00 C ATOM 2378 OG SER A 165 4.345 -11.593 -10.090 1.00 0.00 O ATOM 0 H SER A 165 4.976 -9.755 -8.865 1.00 0.00 H new ATOM 0 HA SER A 165 3.071 -8.548 -10.622 1.00 0.00 H new ATOM 0 HB2 SER A 165 2.965 -10.968 -11.483 1.00 0.00 H new ATOM 0 HB3 SER A 165 4.524 -10.173 -11.570 1.00 0.00 H new ATOM 0 HG SER A 165 4.675 -12.308 -10.674 1.00 0.00 H new ATOM 2384 N LYS A 166 1.996 -10.774 -8.420 1.00 0.00 N ATOM 2385 CA LYS A 166 0.808 -11.257 -7.727 1.00 0.00 C ATOM 2386 C LYS A 166 -0.070 -10.094 -7.278 1.00 0.00 C ATOM 2387 O LYS A 166 -1.297 -10.176 -7.323 1.00 0.00 O ATOM 2388 CB LYS A 166 1.207 -12.106 -6.518 1.00 0.00 C ATOM 2389 CG LYS A 166 1.499 -13.556 -6.863 1.00 0.00 C ATOM 2390 CD LYS A 166 1.992 -14.329 -5.651 1.00 0.00 C ATOM 2391 CE LYS A 166 2.619 -15.656 -6.053 1.00 0.00 C ATOM 2392 NZ LYS A 166 3.297 -16.319 -4.906 1.00 0.00 N ATOM 0 H LYS A 166 2.866 -11.214 -8.120 1.00 0.00 H new ATOM 0 HA LYS A 166 0.237 -11.873 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 166 2.089 -11.667 -6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 166 0.406 -12.071 -5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 166 0.597 -14.027 -7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 166 2.249 -13.599 -7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 166 2.723 -13.730 -5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 166 1.160 -14.510 -4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 166 1.848 -16.316 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 166 3.339 -15.489 -6.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 3.711 -17.220 -5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 4.050 -15.700 -4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 2.605 -16.501 -4.152 1.00 0.00 H new ATOM 2406 N MET A 167 0.567 -9.011 -6.845 1.00 0.00 N ATOM 2407 CA MET A 167 -0.157 -7.829 -6.389 1.00 0.00 C ATOM 2408 C MET A 167 -1.013 -7.251 -7.511 1.00 0.00 C ATOM 2409 O MET A 167 -2.179 -6.915 -7.303 1.00 0.00 O ATOM 2410 CB MET A 167 0.822 -6.769 -5.881 1.00 0.00 C ATOM 2411 CG MET A 167 1.137 -6.894 -4.399 1.00 0.00 C ATOM 2412 SD MET A 167 -0.031 -5.992 -3.362 1.00 0.00 S ATOM 2413 CE MET A 167 -0.150 -7.091 -1.953 1.00 0.00 C ATOM 0 H MET A 167 1.583 -8.927 -6.800 1.00 0.00 H new ATOM 0 HA MET A 167 -0.813 -8.128 -5.572 1.00 0.00 H new ATOM 0 HB2 MET A 167 1.750 -6.841 -6.449 1.00 0.00 H new ATOM 0 HB3 MET A 167 0.406 -5.780 -6.074 1.00 0.00 H new ATOM 0 HG2 MET A 167 1.129 -7.947 -4.117 1.00 0.00 H new ATOM 0 HG3 MET A 167 2.145 -6.522 -4.213 1.00 0.00 H new ATOM 0 HE1 MET A 167 -0.464 -6.525 -1.076 1.00 0.00 H new ATOM 0 HE2 MET A 167 -0.881 -7.872 -2.161 1.00 0.00 H new ATOM 0 HE3 MET A 167 0.822 -7.546 -1.763 1.00 0.00 H new ATOM 2423 N GLN A 168 -0.428 -7.138 -8.699 1.00 0.00 N ATOM 2424 CA GLN A 168 -1.138 -6.599 -9.853 1.00 0.00 C ATOM 2425 C GLN A 168 -2.089 -7.637 -10.440 1.00 0.00 C ATOM 2426 O GLN A 168 -3.094 -7.290 -11.060 1.00 0.00 O ATOM 2427 CB GLN A 168 -0.144 -6.137 -10.920 1.00 0.00 C ATOM 2428 CG GLN A 168 1.024 -5.342 -10.361 1.00 0.00 C ATOM 2429 CD GLN A 168 2.219 -5.326 -11.294 1.00 0.00 C ATOM 2430 OE1 GLN A 168 3.097 -6.185 -11.213 1.00 0.00 O ATOM 2431 NE2 GLN A 168 2.258 -4.344 -12.188 1.00 0.00 N ATOM 0 H GLN A 168 0.536 -7.413 -8.888 1.00 0.00 H new ATOM 0 HA GLN A 168 -1.725 -5.743 -9.520 1.00 0.00 H new ATOM 0 HB2 GLN A 168 0.241 -7.010 -11.448 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -0.670 -5.527 -11.654 1.00 0.00 H new ATOM 0 HG2 GLN A 168 0.703 -4.318 -10.170 1.00 0.00 H new ATOM 0 HG3 GLN A 168 1.322 -5.767 -9.402 1.00 0.00 H new ATOM 0 HE21 GLN A 168 1.508 -3.653 -12.220 1.00 0.00 H new ATOM 0 HE22 GLN A 168 3.038 -4.281 -12.843 1.00 0.00 H new ATOM 2440 N GLN A 169 -1.763 -8.910 -10.241 1.00 0.00 N ATOM 2441 CA GLN A 169 -2.589 -9.997 -10.753 1.00 0.00 C ATOM 2442 C GLN A 169 -3.954 -10.011 -10.073 1.00 0.00 C ATOM 2443 O GLN A 169 -4.959 -9.631 -10.671 1.00 0.00 O ATOM 2444 CB GLN A 169 -1.887 -11.340 -10.542 1.00 0.00 C ATOM 2445 CG GLN A 169 -0.722 -11.573 -11.489 1.00 0.00 C ATOM 2446 CD GLN A 169 -1.164 -11.735 -12.930 1.00 0.00 C ATOM 2447 OE1 GLN A 169 -1.910 -12.656 -13.263 1.00 0.00 O ATOM 2448 NE2 GLN A 169 -0.706 -10.837 -13.795 1.00 0.00 N ATOM 0 H GLN A 169 -0.934 -9.214 -9.730 1.00 0.00 H new ATOM 0 HA GLN A 169 -2.738 -9.835 -11.821 1.00 0.00 H new ATOM 0 HB2 GLN A 169 -1.526 -11.394 -9.515 1.00 0.00 H new ATOM 0 HB3 GLN A 169 -2.613 -12.143 -10.668 1.00 0.00 H new ATOM 0 HG2 GLN A 169 -0.028 -10.735 -11.418 1.00 0.00 H new ATOM 0 HG3 GLN A 169 -0.178 -12.465 -11.177 1.00 0.00 H new ATOM 0 HE21 GLN A 169 -0.090 -10.090 -13.476 1.00 0.00 H new ATOM 0 HE22 GLN A 169 -0.971 -10.895 -14.778 1.00 0.00 H new ATOM 2457 N ASN A 170 -3.981 -10.452 -8.819 1.00 0.00 N ATOM 2458 CA ASN A 170 -5.223 -10.517 -8.058 1.00 0.00 C ATOM 2459 C ASN A 170 -5.219 -9.497 -6.923 1.00 0.00 C ATOM 2460 O ASN A 170 -6.236 -8.864 -6.640 1.00 0.00 O ATOM 2461 CB ASN A 170 -5.428 -11.924 -7.494 1.00 0.00 C ATOM 2462 CG ASN A 170 -5.197 -13.003 -8.534 1.00 0.00 C ATOM 2463 OD1 ASN A 170 -6.143 -13.518 -9.130 1.00 0.00 O ATOM 2464 ND2 ASN A 170 -3.935 -13.351 -8.755 1.00 0.00 N ATOM 0 H ASN A 170 -3.157 -10.769 -8.309 1.00 0.00 H new ATOM 0 HA ASN A 170 -6.046 -10.281 -8.733 1.00 0.00 H new ATOM 0 HB2 ASN A 170 -4.748 -12.079 -6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 170 -6.442 -12.011 -7.103 1.00 0.00 H new ATOM 0 HD21 ASN A 170 -3.718 -14.072 -9.443 1.00 0.00 H new ATOM 0 HD22 ASN A 170 -3.183 -12.897 -8.237 1.00 0.00 H new ATOM 2471 N GLY A 171 -4.067 -9.342 -6.278 1.00 0.00 N ATOM 2472 CA GLY A 171 -3.952 -8.398 -5.182 1.00 0.00 C ATOM 2473 C GLY A 171 -4.157 -9.052 -3.829 1.00 0.00 C ATOM 2474 O GLY A 171 -3.827 -10.223 -3.641 1.00 0.00 O ATOM 0 H GLY A 171 -3.211 -9.853 -6.495 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -2.968 -7.931 -5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -4.686 -7.603 -5.313 1.00 0.00 H new ATOM 2478 N TYR A 172 -4.703 -8.293 -2.885 1.00 0.00 N ATOM 2479 CA TYR A 172 -4.948 -8.805 -1.541 1.00 0.00 C ATOM 2480 C TYR A 172 -6.250 -8.246 -0.975 1.00 0.00 C ATOM 2481 O TYR A 172 -6.397 -7.036 -0.807 1.00 0.00 O ATOM 2482 CB TYR A 172 -3.782 -8.449 -0.617 1.00 0.00 C ATOM 2483 CG TYR A 172 -3.981 -8.905 0.811 1.00 0.00 C ATOM 2484 CD1 TYR A 172 -4.675 -8.120 1.722 1.00 0.00 C ATOM 2485 CD2 TYR A 172 -3.473 -10.123 1.248 1.00 0.00 C ATOM 2486 CE1 TYR A 172 -4.858 -8.533 3.028 1.00 0.00 C ATOM 2487 CE2 TYR A 172 -3.652 -10.545 2.551 1.00 0.00 C ATOM 2488 CZ TYR A 172 -4.345 -9.746 3.437 1.00 0.00 C ATOM 2489 OH TYR A 172 -4.526 -10.161 4.737 1.00 0.00 O ATOM 0 H TYR A 172 -4.984 -7.323 -3.025 1.00 0.00 H new ATOM 0 HA TYR A 172 -5.036 -9.890 -1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -2.869 -8.897 -1.009 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -3.637 -7.369 -0.628 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -5.079 -7.170 1.404 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -2.929 -10.750 0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -5.399 -7.910 3.724 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -3.252 -11.495 2.874 1.00 0.00 H new ATOM 0 HH TYR A 172 -4.105 -11.037 4.862 1.00 0.00 H new ATOM 2499 N GLU A 173 -7.191 -9.138 -0.681 1.00 0.00 N ATOM 2500 CA GLU A 173 -8.481 -8.734 -0.134 1.00 0.00 C ATOM 2501 C GLU A 173 -8.521 -8.947 1.377 1.00 0.00 C ATOM 2502 O GLU A 173 -8.530 -10.081 1.854 1.00 0.00 O ATOM 2503 CB GLU A 173 -9.611 -9.520 -0.801 1.00 0.00 C ATOM 2504 CG GLU A 173 -9.547 -9.508 -2.319 1.00 0.00 C ATOM 2505 CD GLU A 173 -8.412 -10.355 -2.861 1.00 0.00 C ATOM 2506 OE1 GLU A 173 -8.110 -11.403 -2.254 1.00 0.00 O ATOM 2507 OE2 GLU A 173 -7.826 -9.969 -3.895 1.00 0.00 O ATOM 0 H GLU A 173 -7.084 -10.144 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 173 -8.618 -7.672 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -9.579 -10.552 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -10.568 -9.106 -0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -10.492 -9.873 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -9.427 -8.482 -2.666 1.00 0.00 H new ATOM 2514 N ASN A 174 -8.545 -7.847 2.123 1.00 0.00 N ATOM 2515 CA ASN A 174 -8.583 -7.913 3.580 1.00 0.00 C ATOM 2516 C ASN A 174 -9.692 -8.847 4.053 1.00 0.00 C ATOM 2517 O ASN A 174 -10.874 -8.637 3.778 1.00 0.00 O ATOM 2518 CB ASN A 174 -8.791 -6.516 4.168 1.00 0.00 C ATOM 2519 CG ASN A 174 -8.434 -6.450 5.641 1.00 0.00 C ATOM 2520 OD1 ASN A 174 -8.453 -7.463 6.341 1.00 0.00 O ATOM 2521 ND2 ASN A 174 -8.108 -5.255 6.118 1.00 0.00 N ATOM 0 H ASN A 174 -8.539 -6.900 1.743 1.00 0.00 H new ATOM 0 HA ASN A 174 -7.628 -8.308 3.927 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -8.183 -5.799 3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -9.832 -6.220 4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -7.860 -5.149 7.102 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -8.106 -4.443 5.501 1.00 0.00 H new