USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 740 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 60 ASN : amide:sc= -0.124 K(o=-0.12,f=-2.1!) USER MOD Set 1.2: A 102 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 78 MET CE :methyl -131:sc= -0.0646 (180deg=-0.733) USER MOD Set 2.2: A 93 TYR OH : rot 120:sc= 0 USER MOD Set 3.1: A 54 SER OG : rot -16:sc= 1.21 USER MOD Set 3.2: A 67 LYS NZ :NH3+ 156:sc= -0.212 (180deg=-0.726) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0246 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.263 USER MOD Single : A 30 ASN : amide:sc= -0.0157 K(o=-0.016,f=-0.84) USER MOD Single : A 33 MET CE :methyl 171:sc= -4.39! (180deg=-5.09!) USER MOD Single : A 34 THR OG1 : rot -67:sc= 1.28 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -155:sc= -0.163 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -64:sc= 0.578 USER MOD Single : A 62 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.2!) USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 69 CYS SG : rot 40:sc= -1.36 USER MOD Single : A 71 THR OG1 : rot 5:sc= -2.09! USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -1.21! C(o=-1.2!,f=-2!) USER MOD Single : A 75 GLN : amide:sc= -0.0189 K(o=-0.019,f=-0.98) USER MOD Single : A 77 MET CE :methyl 152:sc= -0.039 (180deg=-0.428) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -4.65! C(o=-4.6!,f=-21!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.801) USER MOD Single : A 97 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.042) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.025 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 170:sc= -0.563 (180deg=-1.14) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -1.034 -3.460 -13.308 1.00 0.00 N ATOM 186 CA LYS A 16 -1.666 -2.213 -12.897 1.00 0.00 C ATOM 187 C LYS A 16 -0.625 -1.118 -12.688 1.00 0.00 C ATOM 188 O LYS A 16 0.543 -1.402 -12.422 1.00 0.00 O ATOM 189 CB LYS A 16 -2.466 -2.422 -11.609 1.00 0.00 C ATOM 190 CG LYS A 16 -3.512 -3.518 -11.714 1.00 0.00 C ATOM 191 CD LYS A 16 -4.708 -3.070 -12.536 1.00 0.00 C ATOM 192 CE LYS A 16 -5.586 -4.248 -12.932 1.00 0.00 C ATOM 193 NZ LYS A 16 -6.496 -4.658 -11.827 1.00 0.00 N ATOM 0 HA LYS A 16 -2.343 -1.900 -13.692 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.778 -2.664 -10.799 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.957 -1.487 -11.341 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.068 -4.404 -12.169 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.842 -3.804 -10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.296 -2.353 -11.963 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.362 -2.555 -13.432 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.176 -3.982 -13.809 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.956 -5.091 -13.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.077 -5.463 -12.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.932 -4.936 -10.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.115 -3.862 -11.573 1.00 0.00 H new ATOM 207 N ILE A 17 -1.055 0.133 -12.810 1.00 0.00 N ATOM 208 CA ILE A 17 -0.160 1.270 -12.633 1.00 0.00 C ATOM 209 C ILE A 17 0.016 1.605 -11.155 1.00 0.00 C ATOM 210 O ILE A 17 1.112 1.951 -10.714 1.00 0.00 O ATOM 211 CB ILE A 17 -0.680 2.517 -13.372 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.308 3.675 -13.220 1.00 0.00 C ATOM 213 CG2 ILE A 17 -2.052 2.911 -12.846 1.00 0.00 C ATOM 214 CD1 ILE A 17 0.092 4.788 -14.221 1.00 0.00 C ATOM 0 H ILE A 17 -2.018 0.385 -13.031 1.00 0.00 H new ATOM 0 HA ILE A 17 0.803 0.983 -13.056 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.774 2.281 -14.432 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.226 4.082 -12.212 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.323 3.293 -13.327 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.406 3.794 -13.378 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.751 2.089 -13.001 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.983 3.133 -11.781 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.828 5.575 -14.054 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.203 4.395 -15.232 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.911 5.197 -14.099 1.00 0.00 H new ATOM 226 N TRP A 18 -1.069 1.499 -10.397 1.00 0.00 N ATOM 227 CA TRP A 18 -1.034 1.789 -8.968 1.00 0.00 C ATOM 228 C TRP A 18 -0.339 0.669 -8.202 1.00 0.00 C ATOM 229 O TRP A 18 0.068 0.848 -7.054 1.00 0.00 O ATOM 230 CB TRP A 18 -2.453 1.987 -8.432 1.00 0.00 C ATOM 231 CG TRP A 18 -3.423 0.956 -8.925 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.322 1.097 -9.943 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.592 -0.372 -8.419 1.00 0.00 C ATOM 234 NE1 TRP A 18 -5.040 -0.064 -10.100 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.611 -0.981 -9.178 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.981 -1.108 -7.400 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -5.030 -2.288 -8.948 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -3.399 -2.406 -7.172 1.00 0.00 C ATOM 239 CH2 TRP A 18 -4.415 -2.985 -7.944 1.00 0.00 C ATOM 0 H TRP A 18 -1.984 1.215 -10.748 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.467 2.709 -8.823 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.429 1.962 -7.343 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.808 2.977 -8.720 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.450 1.990 -10.537 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.774 -0.218 -10.792 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.196 -0.670 -6.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.813 -2.736 -9.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.935 -2.983 -6.386 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.719 -4.002 -7.743 1.00 0.00 H new ATOM 250 N PHE A 19 -0.207 -0.487 -8.844 1.00 0.00 N ATOM 251 CA PHE A 19 0.439 -1.638 -8.221 1.00 0.00 C ATOM 252 C PHE A 19 1.957 -1.539 -8.339 1.00 0.00 C ATOM 253 O PHE A 19 2.485 -1.098 -9.360 1.00 0.00 O ATOM 254 CB PHE A 19 -0.051 -2.935 -8.868 1.00 0.00 C ATOM 255 CG PHE A 19 0.536 -4.172 -8.249 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.603 -4.308 -6.872 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.021 -5.197 -9.045 1.00 0.00 C ATOM 258 CE1 PHE A 19 1.144 -5.445 -6.301 1.00 0.00 C ATOM 259 CE2 PHE A 19 1.562 -6.336 -8.479 1.00 0.00 C ATOM 260 CZ PHE A 19 1.623 -6.460 -7.105 1.00 0.00 C ATOM 0 H PHE A 19 -0.538 -0.652 -9.794 1.00 0.00 H new ATOM 0 HA PHE A 19 0.174 -1.645 -7.164 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.137 -2.981 -8.793 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.195 -2.918 -9.930 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.229 -3.518 -6.238 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.976 -5.105 -10.120 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.192 -5.539 -5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.937 -7.128 -9.111 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.045 -7.349 -6.660 1.00 0.00 H new ATOM 270 N HIS A 20 2.654 -1.953 -7.285 1.00 0.00 N ATOM 271 CA HIS A 20 4.112 -1.911 -7.269 1.00 0.00 C ATOM 272 C HIS A 20 4.683 -3.159 -6.602 1.00 0.00 C ATOM 273 O HIS A 20 4.586 -3.325 -5.387 1.00 0.00 O ATOM 274 CB HIS A 20 4.600 -0.660 -6.539 1.00 0.00 C ATOM 275 CG HIS A 20 4.679 0.552 -7.416 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.847 0.971 -8.017 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.726 1.436 -7.793 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.609 2.061 -8.724 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.329 2.364 -8.606 1.00 0.00 N ATOM 0 H HIS A 20 2.233 -2.321 -6.432 1.00 0.00 H new ATOM 0 HA HIS A 20 4.461 -1.879 -8.301 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.930 -0.452 -5.705 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.585 -0.857 -6.116 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.685 1.415 -7.507 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.338 2.611 -9.301 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.864 3.158 -9.047 1.00 0.00 H new ATOM 287 N GLY A 21 5.280 -4.034 -7.407 1.00 0.00 N ATOM 288 CA GLY A 21 5.857 -5.255 -6.876 1.00 0.00 C ATOM 289 C GLY A 21 7.315 -5.420 -7.255 1.00 0.00 C ATOM 290 O GLY A 21 8.046 -6.187 -6.628 1.00 0.00 O ATOM 0 H GLY A 21 5.374 -3.919 -8.416 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.765 -5.254 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.290 -6.111 -7.243 1.00 0.00 H new ATOM 294 N LYS A 22 7.741 -4.699 -8.287 1.00 0.00 N ATOM 295 CA LYS A 22 9.122 -4.768 -8.751 1.00 0.00 C ATOM 296 C LYS A 22 10.042 -3.961 -7.841 1.00 0.00 C ATOM 297 O LYS A 22 11.113 -4.430 -7.452 1.00 0.00 O ATOM 298 CB LYS A 22 9.226 -4.250 -10.187 1.00 0.00 C ATOM 299 CG LYS A 22 8.874 -5.291 -11.236 1.00 0.00 C ATOM 300 CD LYS A 22 9.176 -4.793 -12.639 1.00 0.00 C ATOM 301 CE LYS A 22 10.612 -5.091 -13.040 1.00 0.00 C ATOM 302 NZ LYS A 22 10.952 -4.504 -14.366 1.00 0.00 N ATOM 0 H LYS A 22 7.149 -4.060 -8.818 1.00 0.00 H new ATOM 0 HA LYS A 22 9.436 -5.811 -8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.565 -3.391 -10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.242 -3.897 -10.364 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.435 -6.206 -11.045 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.817 -5.544 -11.158 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.494 -5.263 -13.348 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.998 -3.719 -12.691 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.290 -4.695 -12.283 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.764 -6.170 -13.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.939 -4.730 -14.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.322 -4.900 -15.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.832 -3.472 -14.330 1.00 0.00 H new ATOM 316 N ILE A 23 9.619 -2.747 -7.504 1.00 0.00 N ATOM 317 CA ILE A 23 10.404 -1.878 -6.637 1.00 0.00 C ATOM 318 C ILE A 23 10.500 -2.448 -5.227 1.00 0.00 C ATOM 319 O ILE A 23 10.015 -3.547 -4.956 1.00 0.00 O ATOM 320 CB ILE A 23 9.803 -0.461 -6.567 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.429 -0.500 -5.894 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.699 0.140 -7.960 1.00 0.00 C ATOM 323 CD1 ILE A 23 8.035 0.810 -5.250 1.00 0.00 C ATOM 0 H ILE A 23 8.737 -2.343 -7.819 1.00 0.00 H new ATOM 0 HA ILE A 23 11.402 -1.819 -7.070 1.00 0.00 H new ATOM 0 HB ILE A 23 10.463 0.169 -5.970 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.678 -0.772 -6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.427 -1.283 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.273 1.141 -7.894 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.692 0.197 -8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.058 -0.487 -8.580 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.051 0.709 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.765 1.073 -4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.005 1.593 -6.007 1.00 0.00 H new ATOM 335 N SER A 24 11.126 -1.693 -4.330 1.00 0.00 N ATOM 336 CA SER A 24 11.287 -2.124 -2.946 1.00 0.00 C ATOM 337 C SER A 24 10.526 -1.203 -1.998 1.00 0.00 C ATOM 338 O SER A 24 9.890 -0.240 -2.426 1.00 0.00 O ATOM 339 CB SER A 24 12.770 -2.152 -2.568 1.00 0.00 C ATOM 340 OG SER A 24 12.995 -2.993 -1.450 1.00 0.00 O ATOM 0 H SER A 24 11.530 -0.780 -4.537 1.00 0.00 H new ATOM 0 HA SER A 24 10.877 -3.130 -2.854 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.358 -2.504 -3.416 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.110 -1.141 -2.341 1.00 0.00 H new ATOM 0 HG SER A 24 13.950 -2.995 -1.229 1.00 0.00 H new ATOM 346 N LYS A 25 10.594 -1.507 -0.706 1.00 0.00 N ATOM 347 CA LYS A 25 9.913 -0.708 0.305 1.00 0.00 C ATOM 348 C LYS A 25 10.533 0.682 0.409 1.00 0.00 C ATOM 349 O LYS A 25 9.824 1.688 0.425 1.00 0.00 O ATOM 350 CB LYS A 25 9.975 -1.408 1.665 1.00 0.00 C ATOM 351 CG LYS A 25 9.728 -0.477 2.840 1.00 0.00 C ATOM 352 CD LYS A 25 9.856 -1.208 4.166 1.00 0.00 C ATOM 353 CE LYS A 25 8.529 -1.810 4.601 1.00 0.00 C ATOM 354 NZ LYS A 25 8.651 -2.552 5.886 1.00 0.00 N ATOM 0 H LYS A 25 11.114 -2.302 -0.335 1.00 0.00 H new ATOM 0 HA LYS A 25 8.871 -0.600 0.005 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.237 -2.209 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.954 -1.873 1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.440 0.348 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.732 -0.042 2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.603 -1.997 4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.211 -0.517 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.789 -1.017 4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.164 -2.484 3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.725 -2.947 6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.339 -3.324 5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.974 -1.903 6.632 1.00 0.00 H new ATOM 368 N GLN A 26 11.859 0.730 0.477 1.00 0.00 N ATOM 369 CA GLN A 26 12.573 1.997 0.578 1.00 0.00 C ATOM 370 C GLN A 26 12.273 2.889 -0.622 1.00 0.00 C ATOM 371 O GLN A 26 11.967 4.071 -0.468 1.00 0.00 O ATOM 372 CB GLN A 26 14.080 1.751 0.681 1.00 0.00 C ATOM 373 CG GLN A 26 14.482 0.940 1.902 1.00 0.00 C ATOM 374 CD GLN A 26 15.982 0.750 2.008 1.00 0.00 C ATOM 375 OE1 GLN A 26 16.691 0.739 1.001 1.00 0.00 O ATOM 376 NE2 GLN A 26 16.475 0.599 3.232 1.00 0.00 N ATOM 0 H GLN A 26 12.461 -0.094 0.464 1.00 0.00 H new ATOM 0 HA GLN A 26 12.232 2.506 1.480 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.417 1.232 -0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.595 2.711 0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.118 1.439 2.800 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.998 -0.036 1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.851 0.615 4.039 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.478 0.467 3.365 1.00 0.00 H new ATOM 385 N GLU A 27 12.362 2.314 -1.818 1.00 0.00 N ATOM 386 CA GLU A 27 12.100 3.058 -3.044 1.00 0.00 C ATOM 387 C GLU A 27 10.706 3.677 -3.017 1.00 0.00 C ATOM 388 O GLU A 27 10.538 4.867 -3.283 1.00 0.00 O ATOM 389 CB GLU A 27 12.241 2.143 -4.262 1.00 0.00 C ATOM 390 CG GLU A 27 13.659 2.058 -4.799 1.00 0.00 C ATOM 391 CD GLU A 27 13.973 3.156 -5.796 1.00 0.00 C ATOM 392 OE1 GLU A 27 14.176 4.310 -5.362 1.00 0.00 O ATOM 393 OE2 GLU A 27 14.015 2.864 -7.009 1.00 0.00 O ATOM 0 H GLU A 27 12.613 1.336 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 27 12.834 3.861 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.902 1.142 -3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.583 2.502 -5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.362 2.115 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.806 1.088 -5.274 1.00 0.00 H new ATOM 400 N ALA A 28 9.708 2.860 -2.696 1.00 0.00 N ATOM 401 CA ALA A 28 8.328 3.327 -2.633 1.00 0.00 C ATOM 402 C ALA A 28 8.239 4.684 -1.944 1.00 0.00 C ATOM 403 O ALA A 28 7.491 5.562 -2.375 1.00 0.00 O ATOM 404 CB ALA A 28 7.459 2.308 -1.912 1.00 0.00 C ATOM 0 H ALA A 28 9.829 1.872 -2.476 1.00 0.00 H new ATOM 0 HA ALA A 28 7.962 3.443 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.431 2.669 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.490 1.359 -2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.832 2.164 -0.898 1.00 0.00 H new ATOM 410 N TYR A 29 9.005 4.849 -0.871 1.00 0.00 N ATOM 411 CA TYR A 29 9.010 6.099 -0.120 1.00 0.00 C ATOM 412 C TYR A 29 9.504 7.253 -0.987 1.00 0.00 C ATOM 413 O TYR A 29 8.782 8.221 -1.221 1.00 0.00 O ATOM 414 CB TYR A 29 9.889 5.967 1.124 1.00 0.00 C ATOM 415 CG TYR A 29 9.244 5.178 2.241 1.00 0.00 C ATOM 416 CD1 TYR A 29 8.025 5.570 2.780 1.00 0.00 C ATOM 417 CD2 TYR A 29 9.854 4.042 2.758 1.00 0.00 C ATOM 418 CE1 TYR A 29 7.432 4.853 3.801 1.00 0.00 C ATOM 419 CE2 TYR A 29 9.268 3.318 3.778 1.00 0.00 C ATOM 420 CZ TYR A 29 8.057 3.728 4.296 1.00 0.00 C ATOM 421 OH TYR A 29 7.471 3.010 5.313 1.00 0.00 O ATOM 0 H TYR A 29 9.630 4.133 -0.502 1.00 0.00 H new ATOM 0 HA TYR A 29 7.987 6.313 0.188 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.827 5.487 0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.137 6.963 1.491 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.533 6.450 2.394 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.803 3.719 2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.484 5.172 4.209 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.755 2.436 4.168 1.00 0.00 H new ATOM 0 HH TYR A 29 8.040 2.246 5.544 1.00 0.00 H new ATOM 431 N ASN A 30 10.741 7.142 -1.460 1.00 0.00 N ATOM 432 CA ASN A 30 11.334 8.176 -2.301 1.00 0.00 C ATOM 433 C ASN A 30 10.438 8.484 -3.497 1.00 0.00 C ATOM 434 O ASN A 30 10.293 9.640 -3.897 1.00 0.00 O ATOM 435 CB ASN A 30 12.717 7.738 -2.785 1.00 0.00 C ATOM 436 CG ASN A 30 13.814 8.096 -1.801 1.00 0.00 C ATOM 437 OD1 ASN A 30 13.549 8.367 -0.630 1.00 0.00 O ATOM 438 ND2 ASN A 30 15.055 8.100 -2.274 1.00 0.00 N ATOM 0 H ASN A 30 11.352 6.347 -1.275 1.00 0.00 H new ATOM 0 HA ASN A 30 11.436 9.082 -1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.717 6.660 -2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.928 8.207 -3.746 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.834 8.334 -1.659 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.229 7.869 -3.252 1.00 0.00 H new ATOM 445 N LEU A 31 9.838 7.442 -4.063 1.00 0.00 N ATOM 446 CA LEU A 31 8.956 7.601 -5.214 1.00 0.00 C ATOM 447 C LEU A 31 7.783 8.517 -4.879 1.00 0.00 C ATOM 448 O LEU A 31 7.602 9.564 -5.501 1.00 0.00 O ATOM 449 CB LEU A 31 8.437 6.237 -5.675 1.00 0.00 C ATOM 450 CG LEU A 31 9.480 5.287 -6.266 1.00 0.00 C ATOM 451 CD1 LEU A 31 9.076 3.840 -6.032 1.00 0.00 C ATOM 452 CD2 LEU A 31 9.667 5.558 -7.751 1.00 0.00 C ATOM 0 H LEU A 31 9.946 6.479 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 31 9.530 8.057 -6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.966 5.744 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.659 6.400 -6.421 1.00 0.00 H new ATOM 0 HG LEU A 31 10.431 5.463 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.830 3.178 -6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.994 3.654 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.114 3.649 -6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.413 4.873 -8.155 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.720 5.410 -8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.003 6.585 -7.894 1.00 0.00 H new ATOM 464 N LEU A 32 6.990 8.116 -3.891 1.00 0.00 N ATOM 465 CA LEU A 32 5.835 8.902 -3.471 1.00 0.00 C ATOM 466 C LEU A 32 6.270 10.254 -2.913 1.00 0.00 C ATOM 467 O LEU A 32 5.440 11.122 -2.646 1.00 0.00 O ATOM 468 CB LEU A 32 5.030 8.139 -2.418 1.00 0.00 C ATOM 469 CG LEU A 32 3.991 7.152 -2.953 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.496 6.242 -1.840 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.828 7.897 -3.592 1.00 0.00 C ATOM 0 H LEU A 32 7.126 7.252 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 32 5.207 9.075 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.727 7.593 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.520 8.864 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 32 4.464 6.534 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.758 5.547 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.335 5.682 -1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.040 6.844 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.098 7.179 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.356 8.540 -2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.196 8.506 -4.418 1.00 0.00 H new ATOM 483 N MET A 33 7.577 10.424 -2.741 1.00 0.00 N ATOM 484 CA MET A 33 8.122 11.672 -2.218 1.00 0.00 C ATOM 485 C MET A 33 8.614 12.567 -3.351 1.00 0.00 C ATOM 486 O MET A 33 8.690 13.787 -3.204 1.00 0.00 O ATOM 487 CB MET A 33 9.267 11.384 -1.245 1.00 0.00 C ATOM 488 CG MET A 33 8.806 11.152 0.185 1.00 0.00 C ATOM 489 SD MET A 33 8.749 12.673 1.151 1.00 0.00 S ATOM 490 CE MET A 33 7.939 13.778 -0.004 1.00 0.00 C ATOM 0 H MET A 33 8.278 9.714 -2.956 1.00 0.00 H new ATOM 0 HA MET A 33 7.326 12.194 -1.687 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.813 10.506 -1.589 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.966 12.220 -1.262 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.816 10.696 0.174 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.478 10.444 0.669 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.687 14.711 0.501 1.00 0.00 H new ATOM 0 HE2 MET A 33 8.608 13.986 -0.839 1.00 0.00 H new ATOM 0 HE3 MET A 33 7.028 13.310 -0.377 1.00 0.00 H new ATOM 500 N THR A 34 8.949 11.953 -4.482 1.00 0.00 N ATOM 501 CA THR A 34 9.435 12.694 -5.639 1.00 0.00 C ATOM 502 C THR A 34 8.431 12.645 -6.785 1.00 0.00 C ATOM 503 O THR A 34 7.751 13.630 -7.071 1.00 0.00 O ATOM 504 CB THR A 34 10.787 12.143 -6.131 1.00 0.00 C ATOM 505 OG1 THR A 34 10.669 10.747 -6.424 1.00 0.00 O ATOM 506 CG2 THR A 34 11.871 12.358 -5.086 1.00 0.00 C ATOM 0 H THR A 34 8.892 10.944 -4.621 1.00 0.00 H new ATOM 0 HA THR A 34 9.567 13.728 -5.320 1.00 0.00 H new ATOM 0 HB THR A 34 11.066 12.681 -7.037 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.516 10.250 -5.593 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.816 11.961 -5.456 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.978 13.424 -4.887 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.596 11.843 -4.165 1.00 0.00 H new ATOM 514 N VAL A 35 8.343 11.491 -7.439 1.00 0.00 N ATOM 515 CA VAL A 35 7.420 11.312 -8.553 1.00 0.00 C ATOM 516 C VAL A 35 5.971 11.414 -8.089 1.00 0.00 C ATOM 517 O VAL A 35 5.078 11.732 -8.873 1.00 0.00 O ATOM 518 CB VAL A 35 7.632 9.952 -9.245 1.00 0.00 C ATOM 519 CG1 VAL A 35 9.069 9.814 -9.723 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.261 8.814 -8.307 1.00 0.00 C ATOM 0 H VAL A 35 8.900 10.666 -7.216 1.00 0.00 H new ATOM 0 HA VAL A 35 7.627 12.110 -9.266 1.00 0.00 H new ATOM 0 HB VAL A 35 6.979 9.901 -10.116 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.199 8.847 -10.209 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.295 10.610 -10.432 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.744 9.886 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.417 7.861 -8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.886 8.859 -7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.213 8.906 -8.020 1.00 0.00 H new ATOM 530 N GLY A 36 5.746 11.141 -6.808 1.00 0.00 N ATOM 531 CA GLY A 36 4.403 11.208 -6.260 1.00 0.00 C ATOM 532 C GLY A 36 4.085 12.567 -5.669 1.00 0.00 C ATOM 533 O GLY A 36 4.897 13.488 -5.744 1.00 0.00 O ATOM 0 H GLY A 36 6.469 10.875 -6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.682 10.979 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.290 10.445 -5.490 1.00 0.00 H new ATOM 537 N GLN A 37 2.899 12.692 -5.081 1.00 0.00 N ATOM 538 CA GLN A 37 2.475 13.949 -4.477 1.00 0.00 C ATOM 539 C GLN A 37 1.400 13.711 -3.422 1.00 0.00 C ATOM 540 O GLN A 37 0.803 12.636 -3.361 1.00 0.00 O ATOM 541 CB GLN A 37 1.951 14.904 -5.552 1.00 0.00 C ATOM 542 CG GLN A 37 2.178 16.371 -5.225 1.00 0.00 C ATOM 543 CD GLN A 37 1.603 17.298 -6.277 1.00 0.00 C ATOM 544 OE1 GLN A 37 0.387 17.467 -6.376 1.00 0.00 O ATOM 545 NE2 GLN A 37 2.477 17.907 -7.071 1.00 0.00 N ATOM 0 H GLN A 37 2.215 11.938 -5.010 1.00 0.00 H new ATOM 0 HA GLN A 37 3.340 14.400 -3.991 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.436 14.672 -6.500 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.884 14.732 -5.690 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.726 16.598 -4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.248 16.557 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.476 17.738 -6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.149 18.543 -7.797 1.00 0.00 H new ATOM 554 N VAL A 38 1.158 14.722 -2.593 1.00 0.00 N ATOM 555 CA VAL A 38 0.153 14.623 -1.541 1.00 0.00 C ATOM 556 C VAL A 38 -1.118 13.957 -2.055 1.00 0.00 C ATOM 557 O VAL A 38 -1.900 13.406 -1.279 1.00 0.00 O ATOM 558 CB VAL A 38 -0.200 16.009 -0.971 1.00 0.00 C ATOM 559 CG1 VAL A 38 -1.199 15.879 0.170 1.00 0.00 C ATOM 560 CG2 VAL A 38 1.056 16.732 -0.510 1.00 0.00 C ATOM 0 H VAL A 38 1.644 15.618 -2.630 1.00 0.00 H new ATOM 0 HA VAL A 38 0.584 14.011 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.662 16.600 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.436 16.869 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.110 15.405 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.767 15.270 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.787 17.710 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.549 16.146 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.733 16.859 -1.355 1.00 0.00 H new ATOM 570 N CYS A 39 -1.318 14.011 -3.367 1.00 0.00 N ATOM 571 CA CYS A 39 -2.496 13.413 -3.986 1.00 0.00 C ATOM 572 C CYS A 39 -2.109 12.216 -4.848 1.00 0.00 C ATOM 573 O CYS A 39 -2.577 12.073 -5.977 1.00 0.00 O ATOM 574 CB CYS A 39 -3.233 14.450 -4.835 1.00 0.00 C ATOM 575 SG CYS A 39 -3.417 16.062 -4.036 1.00 0.00 S ATOM 0 H CYS A 39 -0.680 14.462 -4.023 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.157 13.067 -3.192 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.697 14.581 -5.775 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.222 14.064 -5.083 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.050 16.871 -4.832 1.00 0.00 H new ATOM 581 N SER A 40 -1.248 11.358 -4.308 1.00 0.00 N ATOM 582 CA SER A 40 -0.793 10.176 -5.029 1.00 0.00 C ATOM 583 C SER A 40 -0.738 8.963 -4.105 1.00 0.00 C ATOM 584 O SER A 40 -0.256 9.051 -2.975 1.00 0.00 O ATOM 585 CB SER A 40 0.586 10.426 -5.643 1.00 0.00 C ATOM 586 OG SER A 40 0.693 11.752 -6.131 1.00 0.00 O ATOM 0 H SER A 40 -0.852 11.460 -3.374 1.00 0.00 H new ATOM 0 HA SER A 40 -1.507 9.971 -5.827 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.359 10.247 -4.895 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.759 9.721 -6.456 1.00 0.00 H new ATOM 0 HG SER A 40 1.369 11.786 -6.839 1.00 0.00 H new ATOM 592 N PHE A 41 -1.236 7.832 -4.593 1.00 0.00 N ATOM 593 CA PHE A 41 -1.245 6.601 -3.811 1.00 0.00 C ATOM 594 C PHE A 41 -0.638 5.448 -4.606 1.00 0.00 C ATOM 595 O PHE A 41 -0.471 5.537 -5.823 1.00 0.00 O ATOM 596 CB PHE A 41 -2.674 6.249 -3.392 1.00 0.00 C ATOM 597 CG PHE A 41 -3.458 5.547 -4.463 1.00 0.00 C ATOM 598 CD1 PHE A 41 -3.248 4.203 -4.726 1.00 0.00 C ATOM 599 CD2 PHE A 41 -4.404 6.231 -5.209 1.00 0.00 C ATOM 600 CE1 PHE A 41 -3.968 3.553 -5.711 1.00 0.00 C ATOM 601 CE2 PHE A 41 -5.127 5.588 -6.195 1.00 0.00 C ATOM 602 CZ PHE A 41 -4.908 4.247 -6.447 1.00 0.00 C ATOM 0 H PHE A 41 -1.639 7.742 -5.526 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.641 6.762 -2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.638 5.616 -2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.197 7.163 -3.110 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.513 3.656 -4.154 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.578 7.279 -5.017 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.796 2.505 -5.905 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.863 6.133 -6.768 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.471 3.743 -7.218 1.00 0.00 H new ATOM 612 N LEU A 42 -0.307 4.367 -3.908 1.00 0.00 N ATOM 613 CA LEU A 42 0.282 3.195 -4.547 1.00 0.00 C ATOM 614 C LEU A 42 0.208 1.979 -3.629 1.00 0.00 C ATOM 615 O LEU A 42 0.453 2.080 -2.426 1.00 0.00 O ATOM 616 CB LEU A 42 1.738 3.474 -4.925 1.00 0.00 C ATOM 617 CG LEU A 42 2.767 3.301 -3.807 1.00 0.00 C ATOM 618 CD1 LEU A 42 3.077 1.827 -3.591 1.00 0.00 C ATOM 619 CD2 LEU A 42 4.038 4.073 -4.127 1.00 0.00 C ATOM 0 H LEU A 42 -0.436 4.278 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.288 2.980 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.011 2.814 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.806 4.496 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 42 2.345 3.702 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.811 1.723 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.164 1.300 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.479 1.401 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.759 3.938 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.464 3.702 -5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.804 5.132 -4.231 1.00 0.00 H new ATOM 631 N VAL A 43 -0.130 0.829 -4.204 1.00 0.00 N ATOM 632 CA VAL A 43 -0.233 -0.407 -3.439 1.00 0.00 C ATOM 633 C VAL A 43 1.077 -1.185 -3.472 1.00 0.00 C ATOM 634 O VAL A 43 1.837 -1.100 -4.437 1.00 0.00 O ATOM 635 CB VAL A 43 -1.365 -1.305 -3.973 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.576 -2.501 -3.057 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.651 -0.507 -4.126 1.00 0.00 C ATOM 0 H VAL A 43 -0.337 0.728 -5.198 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.458 -0.125 -2.411 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.076 -1.677 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.379 -3.124 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.657 -3.085 -3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.843 -2.153 -2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.440 -1.157 -4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.946 -0.104 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.489 0.313 -4.826 1.00 0.00 H new ATOM 647 N ARG A 44 1.335 -1.946 -2.413 1.00 0.00 N ATOM 648 CA ARG A 44 2.554 -2.739 -2.320 1.00 0.00 C ATOM 649 C ARG A 44 2.365 -3.918 -1.370 1.00 0.00 C ATOM 650 O ARG A 44 1.743 -3.802 -0.314 1.00 0.00 O ATOM 651 CB ARG A 44 3.719 -1.869 -1.845 1.00 0.00 C ATOM 652 CG ARG A 44 4.755 -2.629 -1.032 1.00 0.00 C ATOM 653 CD ARG A 44 6.144 -2.035 -1.204 1.00 0.00 C ATOM 654 NE ARG A 44 6.832 -2.580 -2.371 1.00 0.00 N ATOM 655 CZ ARG A 44 7.186 -3.855 -2.486 1.00 0.00 C ATOM 656 NH1 ARG A 44 6.917 -4.712 -1.511 1.00 0.00 N ATOM 657 NH2 ARG A 44 7.809 -4.276 -3.580 1.00 0.00 N ATOM 0 H ARG A 44 0.715 -2.030 -1.607 1.00 0.00 H new ATOM 0 HA ARG A 44 2.781 -3.128 -3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.206 -1.423 -2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.327 -1.049 -1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.478 -2.609 0.022 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.765 -3.675 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.065 -0.952 -1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.736 -2.232 -0.310 1.00 0.00 H new ATOM 0 HE ARG A 44 7.053 -1.947 -3.140 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.437 -4.393 -0.670 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.190 -5.691 -1.602 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.016 -3.620 -4.333 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.080 -5.255 -3.667 1.00 0.00 H new ATOM 671 N PRO A 45 2.913 -5.081 -1.752 1.00 0.00 N ATOM 672 CA PRO A 45 2.818 -6.303 -0.949 1.00 0.00 C ATOM 673 C PRO A 45 3.644 -6.222 0.330 1.00 0.00 C ATOM 674 O PRO A 45 4.832 -5.898 0.294 1.00 0.00 O ATOM 675 CB PRO A 45 3.377 -7.383 -1.878 1.00 0.00 C ATOM 676 CG PRO A 45 4.282 -6.651 -2.808 1.00 0.00 C ATOM 677 CD PRO A 45 3.668 -5.292 -2.999 1.00 0.00 C ATOM 0 HA PRO A 45 1.797 -6.493 -0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.918 -8.146 -1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.579 -7.891 -2.420 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.286 -6.570 -2.392 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.372 -7.176 -3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.428 -4.524 -3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.017 -5.264 -3.873 1.00 0.00 H new ATOM 685 N SER A 46 3.009 -6.517 1.460 1.00 0.00 N ATOM 686 CA SER A 46 3.685 -6.474 2.751 1.00 0.00 C ATOM 687 C SER A 46 4.953 -7.323 2.729 1.00 0.00 C ATOM 688 O SER A 46 4.900 -8.531 2.499 1.00 0.00 O ATOM 689 CB SER A 46 2.749 -6.963 3.857 1.00 0.00 C ATOM 690 OG SER A 46 3.275 -6.667 5.139 1.00 0.00 O ATOM 0 H SER A 46 2.027 -6.788 1.507 1.00 0.00 H new ATOM 0 HA SER A 46 3.965 -5.440 2.953 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.772 -6.494 3.744 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.599 -8.038 3.762 1.00 0.00 H new ATOM 0 HG SER A 46 2.657 -6.988 5.828 1.00 0.00 H new ATOM 757 N ASP A 52 -0.119 -10.253 2.216 1.00 0.00 N ATOM 758 CA ASP A 52 -0.795 -9.046 2.676 1.00 0.00 C ATOM 759 C ASP A 52 -0.454 -7.858 1.783 1.00 0.00 C ATOM 760 O ASP A 52 0.411 -7.952 0.912 1.00 0.00 O ATOM 761 CB ASP A 52 -0.409 -8.740 4.124 1.00 0.00 C ATOM 762 CG ASP A 52 -1.461 -7.919 4.843 1.00 0.00 C ATOM 763 OD1 ASP A 52 -2.662 -8.118 4.563 1.00 0.00 O ATOM 764 OD2 ASP A 52 -1.085 -7.077 5.685 1.00 0.00 O ATOM 0 HA ASP A 52 -1.870 -9.219 2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.253 -9.676 4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.539 -8.203 4.138 1.00 0.00 H new ATOM 769 N TYR A 53 -1.140 -6.742 2.004 1.00 0.00 N ATOM 770 CA TYR A 53 -0.912 -5.536 1.217 1.00 0.00 C ATOM 771 C TYR A 53 -1.055 -4.287 2.081 1.00 0.00 C ATOM 772 O TYR A 53 -1.556 -4.348 3.203 1.00 0.00 O ATOM 773 CB TYR A 53 -1.892 -5.474 0.044 1.00 0.00 C ATOM 774 CG TYR A 53 -1.658 -6.546 -0.997 1.00 0.00 C ATOM 775 CD1 TYR A 53 -0.530 -6.520 -1.807 1.00 0.00 C ATOM 776 CD2 TYR A 53 -2.566 -7.582 -1.171 1.00 0.00 C ATOM 777 CE1 TYR A 53 -0.312 -7.496 -2.760 1.00 0.00 C ATOM 778 CE2 TYR A 53 -2.357 -8.564 -2.121 1.00 0.00 C ATOM 779 CZ TYR A 53 -1.228 -8.516 -2.913 1.00 0.00 C ATOM 780 OH TYR A 53 -1.017 -9.491 -3.861 1.00 0.00 O ATOM 0 H TYR A 53 -1.859 -6.648 2.722 1.00 0.00 H new ATOM 0 HA TYR A 53 0.106 -5.573 0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.909 -5.566 0.426 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.816 -4.496 -0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.189 -5.723 -1.690 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.451 -7.621 -0.553 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.570 -7.461 -3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.073 -9.364 -2.243 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.755 -10.135 -3.838 1.00 0.00 H new ATOM 790 N SER A 54 -0.612 -3.152 1.547 1.00 0.00 N ATOM 791 CA SER A 54 -0.687 -1.888 2.269 1.00 0.00 C ATOM 792 C SER A 54 -0.615 -0.707 1.305 1.00 0.00 C ATOM 793 O SER A 54 0.231 -0.672 0.410 1.00 0.00 O ATOM 794 CB SER A 54 0.444 -1.793 3.295 1.00 0.00 C ATOM 795 OG SER A 54 0.073 -0.973 4.389 1.00 0.00 O ATOM 0 H SER A 54 -0.198 -3.083 0.617 1.00 0.00 H new ATOM 0 HA SER A 54 -1.644 -1.852 2.790 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.698 -2.790 3.654 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.337 -1.388 2.820 1.00 0.00 H new ATOM 0 HG SER A 54 -0.715 -0.443 4.148 1.00 0.00 H new ATOM 801 N LEU A 55 -1.507 0.258 1.495 1.00 0.00 N ATOM 802 CA LEU A 55 -1.546 1.442 0.643 1.00 0.00 C ATOM 803 C LEU A 55 -0.596 2.517 1.161 1.00 0.00 C ATOM 804 O LEU A 55 -0.314 2.587 2.357 1.00 0.00 O ATOM 805 CB LEU A 55 -2.970 1.996 0.571 1.00 0.00 C ATOM 806 CG LEU A 55 -3.229 3.042 -0.514 1.00 0.00 C ATOM 807 CD1 LEU A 55 -3.503 2.370 -1.850 1.00 0.00 C ATOM 808 CD2 LEU A 55 -4.391 3.942 -0.120 1.00 0.00 C ATOM 0 H LEU A 55 -2.213 0.245 2.231 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.225 1.150 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.655 1.163 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.217 2.435 1.538 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.336 3.658 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.685 3.131 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.641 1.768 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.380 1.729 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.561 4.680 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.290 3.339 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.156 4.452 0.814 1.00 0.00 H new ATOM 820 N TYR A 56 -0.108 3.355 0.253 1.00 0.00 N ATOM 821 CA TYR A 56 0.811 4.427 0.618 1.00 0.00 C ATOM 822 C TYR A 56 0.370 5.753 0.006 1.00 0.00 C ATOM 823 O TYR A 56 0.568 5.998 -1.184 1.00 0.00 O ATOM 824 CB TYR A 56 2.231 4.088 0.160 1.00 0.00 C ATOM 825 CG TYR A 56 2.942 3.110 1.068 1.00 0.00 C ATOM 826 CD1 TYR A 56 2.480 1.808 1.217 1.00 0.00 C ATOM 827 CD2 TYR A 56 4.075 3.488 1.777 1.00 0.00 C ATOM 828 CE1 TYR A 56 3.127 0.911 2.046 1.00 0.00 C ATOM 829 CE2 TYR A 56 4.729 2.598 2.607 1.00 0.00 C ATOM 830 CZ TYR A 56 4.251 1.311 2.738 1.00 0.00 C ATOM 831 OH TYR A 56 4.898 0.422 3.565 1.00 0.00 O ATOM 0 H TYR A 56 -0.333 3.313 -0.741 1.00 0.00 H new ATOM 0 HA TYR A 56 0.801 4.527 1.703 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.190 3.672 -0.847 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.814 5.007 0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.601 1.492 0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.451 4.495 1.678 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.755 -0.097 2.151 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.609 2.908 3.150 1.00 0.00 H new ATOM 0 HH TYR A 56 5.671 0.861 3.977 1.00 0.00 H new ATOM 841 N PHE A 57 -0.227 6.607 0.830 1.00 0.00 N ATOM 842 CA PHE A 57 -0.697 7.910 0.372 1.00 0.00 C ATOM 843 C PHE A 57 0.083 9.036 1.044 1.00 0.00 C ATOM 844 O PHE A 57 0.488 8.921 2.201 1.00 0.00 O ATOM 845 CB PHE A 57 -2.192 8.067 0.661 1.00 0.00 C ATOM 846 CG PHE A 57 -2.793 9.302 0.053 1.00 0.00 C ATOM 847 CD1 PHE A 57 -2.708 9.531 -1.311 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.441 10.235 0.846 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.261 10.666 -1.873 1.00 0.00 C ATOM 850 CE2 PHE A 57 -3.996 11.372 0.290 1.00 0.00 C ATOM 851 CZ PHE A 57 -3.904 11.589 -1.072 1.00 0.00 C ATOM 0 H PHE A 57 -0.397 6.421 1.818 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.534 7.970 -0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.721 7.192 0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.345 8.091 1.740 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.204 8.814 -1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.513 10.072 1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.190 10.831 -2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.501 12.090 0.919 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.334 12.478 -1.509 1.00 0.00 H new ATOM 861 N ARG A 58 0.291 10.124 0.309 1.00 0.00 N ATOM 862 CA ARG A 58 1.024 11.271 0.832 1.00 0.00 C ATOM 863 C ARG A 58 0.067 12.312 1.406 1.00 0.00 C ATOM 864 O ARG A 58 -0.978 12.600 0.822 1.00 0.00 O ATOM 865 CB ARG A 58 1.880 11.901 -0.269 1.00 0.00 C ATOM 866 CG ARG A 58 2.608 13.160 0.172 1.00 0.00 C ATOM 867 CD ARG A 58 3.821 12.831 1.027 1.00 0.00 C ATOM 868 NE ARG A 58 4.341 14.009 1.717 1.00 0.00 N ATOM 869 CZ ARG A 58 4.962 15.007 1.100 1.00 0.00 C ATOM 870 NH1 ARG A 58 5.140 14.971 -0.214 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.406 16.046 1.796 1.00 0.00 N ATOM 0 H ARG A 58 -0.038 10.235 -0.650 1.00 0.00 H new ATOM 0 HA ARG A 58 1.675 10.920 1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.612 11.170 -0.612 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.243 12.139 -1.121 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.922 13.726 -0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.926 13.797 0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.552 12.071 1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.603 12.405 0.398 1.00 0.00 H new ATOM 0 HE ARG A 58 4.220 14.068 2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.799 14.175 -0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.618 15.739 -0.685 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.270 16.079 2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.883 16.812 1.321 1.00 0.00 H new ATOM 885 N THR A 59 0.432 12.873 2.554 1.00 0.00 N ATOM 886 CA THR A 59 -0.394 13.880 3.209 1.00 0.00 C ATOM 887 C THR A 59 0.452 15.047 3.705 1.00 0.00 C ATOM 888 O THR A 59 1.648 14.897 3.953 1.00 0.00 O ATOM 889 CB THR A 59 -1.172 13.284 4.396 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.260 12.843 5.408 1.00 0.00 O ATOM 891 CG2 THR A 59 -2.038 12.118 3.945 1.00 0.00 C ATOM 0 H THR A 59 1.294 12.647 3.050 1.00 0.00 H new ATOM 0 HA THR A 59 -1.103 14.240 2.464 1.00 0.00 H new ATOM 0 HB THR A 59 -1.819 14.061 4.804 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.286 12.108 5.059 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.578 11.713 4.801 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.751 12.463 3.196 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.406 11.341 3.514 1.00 0.00 H new ATOM 899 N ASN A 60 -0.176 16.209 3.848 1.00 0.00 N ATOM 900 CA ASN A 60 0.520 17.402 4.316 1.00 0.00 C ATOM 901 C ASN A 60 1.443 17.071 5.484 1.00 0.00 C ATOM 902 O ASN A 60 2.529 17.636 5.609 1.00 0.00 O ATOM 903 CB ASN A 60 -0.488 18.474 4.736 1.00 0.00 C ATOM 904 CG ASN A 60 -0.942 19.330 3.569 1.00 0.00 C ATOM 905 OD1 ASN A 60 -0.253 19.431 2.554 1.00 0.00 O ATOM 906 ND2 ASN A 60 -2.108 19.950 3.709 1.00 0.00 N ATOM 0 H ASN A 60 -1.166 16.350 3.647 1.00 0.00 H new ATOM 0 HA ASN A 60 1.126 17.784 3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.355 17.995 5.191 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.040 19.112 5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.466 20.539 2.957 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.646 19.837 4.568 1.00 0.00 H new ATOM 913 N GLU A 61 1.003 16.151 6.336 1.00 0.00 N ATOM 914 CA GLU A 61 1.791 15.744 7.494 1.00 0.00 C ATOM 915 C GLU A 61 2.923 14.809 7.081 1.00 0.00 C ATOM 916 O GLU A 61 4.091 15.197 7.074 1.00 0.00 O ATOM 917 CB GLU A 61 0.898 15.056 8.530 1.00 0.00 C ATOM 918 CG GLU A 61 0.108 16.026 9.392 1.00 0.00 C ATOM 919 CD GLU A 61 0.984 17.088 10.028 1.00 0.00 C ATOM 920 OE1 GLU A 61 1.919 16.721 10.770 1.00 0.00 O ATOM 921 OE2 GLU A 61 0.733 18.287 9.784 1.00 0.00 O ATOM 0 H GLU A 61 0.106 15.674 6.247 1.00 0.00 H new ATOM 0 HA GLU A 61 2.227 16.639 7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.204 14.392 8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.517 14.432 9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.656 16.508 8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.411 15.472 10.174 1.00 0.00 H new ATOM 928 N ASN A 62 2.569 13.575 6.739 1.00 0.00 N ATOM 929 CA ASN A 62 3.555 12.583 6.325 1.00 0.00 C ATOM 930 C ASN A 62 2.878 11.387 5.662 1.00 0.00 C ATOM 931 O ASN A 62 1.725 11.072 5.957 1.00 0.00 O ATOM 932 CB ASN A 62 4.375 12.116 7.529 1.00 0.00 C ATOM 933 CG ASN A 62 3.508 11.530 8.627 1.00 0.00 C ATOM 934 OD1 ASN A 62 2.370 11.129 8.387 1.00 0.00 O ATOM 935 ND2 ASN A 62 4.046 11.479 9.841 1.00 0.00 N ATOM 0 H ASN A 62 1.606 13.238 6.740 1.00 0.00 H new ATOM 0 HA ASN A 62 4.221 13.050 5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.099 11.369 7.204 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.942 12.957 7.927 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.511 11.095 10.620 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.994 11.823 9.994 1.00 0.00 H new ATOM 942 N ILE A 63 3.604 10.725 4.767 1.00 0.00 N ATOM 943 CA ILE A 63 3.075 9.563 4.064 1.00 0.00 C ATOM 944 C ILE A 63 2.394 8.599 5.030 1.00 0.00 C ATOM 945 O ILE A 63 3.011 8.122 5.983 1.00 0.00 O ATOM 946 CB ILE A 63 4.183 8.812 3.303 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.820 9.725 2.254 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.622 7.557 2.651 1.00 0.00 C ATOM 949 CD1 ILE A 63 5.892 9.045 1.431 1.00 0.00 C ATOM 0 H ILE A 63 4.560 10.974 4.512 1.00 0.00 H new ATOM 0 HA ILE A 63 2.342 9.935 3.348 1.00 0.00 H new ATOM 0 HB ILE A 63 4.954 8.514 4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.042 10.096 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.252 10.592 2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.418 7.038 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.211 6.901 3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.834 7.832 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.299 9.752 0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.690 8.698 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.461 8.194 0.903 1.00 0.00 H new ATOM 961 N GLN A 64 1.120 8.316 4.777 1.00 0.00 N ATOM 962 CA GLN A 64 0.357 7.408 5.624 1.00 0.00 C ATOM 963 C GLN A 64 0.456 5.974 5.113 1.00 0.00 C ATOM 964 O GLN A 64 1.104 5.709 4.100 1.00 0.00 O ATOM 965 CB GLN A 64 -1.109 7.841 5.681 1.00 0.00 C ATOM 966 CG GLN A 64 -1.364 9.001 6.630 1.00 0.00 C ATOM 967 CD GLN A 64 -2.762 8.978 7.217 1.00 0.00 C ATOM 968 OE1 GLN A 64 -3.730 9.483 6.462 1.00 0.00 O flip ATOM 969 NE2 GLN A 64 -2.969 8.512 8.338 1.00 0.00 N flip ATOM 0 H GLN A 64 0.595 8.703 3.992 1.00 0.00 H new ATOM 0 HA GLN A 64 0.780 7.447 6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.435 8.123 4.680 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.719 6.991 5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.634 8.971 7.439 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.213 9.940 6.098 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.195 8.134 8.884 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.915 8.504 8.720 1.00 0.00 H new ATOM 978 N ARG A 65 -0.190 5.053 5.820 1.00 0.00 N ATOM 979 CA ARG A 65 -0.173 3.646 5.439 1.00 0.00 C ATOM 980 C ARG A 65 -1.477 2.960 5.834 1.00 0.00 C ATOM 981 O ARG A 65 -1.917 3.052 6.980 1.00 0.00 O ATOM 982 CB ARG A 65 1.011 2.932 6.095 1.00 0.00 C ATOM 983 CG ARG A 65 2.293 3.007 5.282 1.00 0.00 C ATOM 984 CD ARG A 65 3.514 2.720 6.142 1.00 0.00 C ATOM 985 NE ARG A 65 4.000 3.919 6.821 1.00 0.00 N ATOM 986 CZ ARG A 65 5.133 3.964 7.512 1.00 0.00 C ATOM 987 NH1 ARG A 65 5.895 2.883 7.614 1.00 0.00 N ATOM 988 NH2 ARG A 65 5.508 5.092 8.101 1.00 0.00 N ATOM 0 H ARG A 65 -0.732 5.256 6.660 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.067 3.590 4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.188 3.368 7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.751 1.885 6.253 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.248 2.291 4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.385 3.997 4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.265 1.960 6.883 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.308 2.310 5.518 1.00 0.00 H new ATOM 0 HE ARG A 65 3.438 4.768 6.761 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.611 2.014 7.161 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.765 2.920 8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.926 5.926 8.023 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.379 5.125 8.632 1.00 0.00 H new ATOM 1002 N PHE A 66 -2.092 2.272 4.877 1.00 0.00 N ATOM 1003 CA PHE A 66 -3.347 1.572 5.124 1.00 0.00 C ATOM 1004 C PHE A 66 -3.136 0.061 5.121 1.00 0.00 C ATOM 1005 O PHE A 66 -2.344 -0.466 4.338 1.00 0.00 O ATOM 1006 CB PHE A 66 -4.386 1.955 4.069 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.591 3.438 3.940 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -3.619 4.236 3.358 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -5.754 4.032 4.400 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -3.805 5.601 3.239 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -5.945 5.396 4.283 1.00 0.00 C ATOM 1012 CZ PHE A 66 -4.970 6.181 3.701 1.00 0.00 C ATOM 0 H PHE A 66 -1.741 2.185 3.923 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.712 1.869 6.107 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.077 1.554 3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.337 1.485 4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.707 3.787 2.994 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.521 3.423 4.855 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.040 6.213 2.785 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.856 5.847 4.647 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.118 7.247 3.607 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.849 -0.632 6.002 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.742 -2.083 6.103 1.00 0.00 C ATOM 1024 C LYS A 67 -4.833 -2.767 5.285 1.00 0.00 C ATOM 1025 O LYS A 67 -6.010 -2.421 5.393 1.00 0.00 O ATOM 1026 CB LYS A 67 -3.835 -2.522 7.566 1.00 0.00 C ATOM 1027 CG LYS A 67 -2.488 -2.601 8.264 1.00 0.00 C ATOM 1028 CD LYS A 67 -1.895 -3.997 8.175 1.00 0.00 C ATOM 1029 CE LYS A 67 -1.015 -4.150 6.944 1.00 0.00 C ATOM 1030 NZ LYS A 67 0.153 -3.227 6.978 1.00 0.00 N ATOM 0 H LYS A 67 -4.508 -0.212 6.657 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.772 -2.379 5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.474 -1.824 8.106 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.317 -3.498 7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.801 -1.884 7.814 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.603 -2.319 9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.309 -4.202 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.698 -4.733 8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.662 -5.179 6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.606 -3.955 6.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.916 -3.611 6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.131 -2.294 6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.491 -3.131 7.957 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.435 -3.737 4.470 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.380 -4.470 3.637 1.00 0.00 C ATOM 1046 C ILE A 68 -5.157 -5.975 3.746 1.00 0.00 C ATOM 1047 O ILE A 68 -4.233 -6.521 3.143 1.00 0.00 O ATOM 1048 CB ILE A 68 -5.271 -4.052 2.159 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.581 -2.562 2.004 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.210 -4.887 1.301 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -5.183 -1.999 0.657 1.00 0.00 C ATOM 0 H ILE A 68 -3.464 -4.034 4.368 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.377 -4.225 4.002 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.250 -4.228 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.649 -2.404 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.064 -2.008 2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.121 -4.579 0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.946 -5.941 1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.237 -4.740 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.432 -0.939 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.110 -2.125 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.720 -2.527 -0.131 1.00 0.00 H new ATOM 1063 N CYS A 69 -6.011 -6.639 4.518 1.00 0.00 N ATOM 1064 CA CYS A 69 -5.908 -8.082 4.705 1.00 0.00 C ATOM 1065 C CYS A 69 -6.817 -8.823 3.730 1.00 0.00 C ATOM 1066 O CYS A 69 -7.979 -8.466 3.533 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.268 -8.457 6.143 1.00 0.00 C ATOM 1068 SG CYS A 69 -5.412 -9.926 6.759 1.00 0.00 S ATOM 0 H CYS A 69 -6.781 -6.202 5.024 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.877 -8.377 4.507 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.037 -7.615 6.795 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.343 -8.623 6.205 1.00 0.00 H new ATOM 0 HG CYS A 69 -4.179 -9.915 6.346 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.278 -9.880 3.104 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.023 -10.693 2.138 1.00 0.00 C ATOM 1076 C PRO A 70 -8.119 -11.521 2.801 1.00 0.00 C ATOM 1077 O PRO A 70 -7.952 -12.012 3.918 1.00 0.00 O ATOM 1078 CB PRO A 70 -5.950 -11.606 1.541 1.00 0.00 C ATOM 1079 CG PRO A 70 -4.899 -11.694 2.593 1.00 0.00 C ATOM 1080 CD PRO A 70 -4.899 -10.363 3.291 1.00 0.00 C ATOM 0 HA PRO A 70 -7.538 -10.079 1.399 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.355 -12.590 1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.550 -11.193 0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.114 -12.502 3.293 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.924 -11.904 2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.648 -10.463 4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.171 -9.680 2.854 1.00 0.00 H new ATOM 1088 N THR A 71 -9.242 -11.673 2.105 1.00 0.00 N ATOM 1089 CA THR A 71 -10.365 -12.442 2.626 1.00 0.00 C ATOM 1090 C THR A 71 -10.530 -13.755 1.871 1.00 0.00 C ATOM 1091 O THR A 71 -10.234 -13.856 0.680 1.00 0.00 O ATOM 1092 CB THR A 71 -11.680 -11.644 2.539 1.00 0.00 C ATOM 1093 OG1 THR A 71 -11.906 -11.217 1.191 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.640 -10.433 3.459 1.00 0.00 C ATOM 0 H THR A 71 -9.397 -11.274 1.179 1.00 0.00 H new ATOM 0 HA THR A 71 -10.145 -12.653 3.672 1.00 0.00 H new ATOM 0 HB THR A 71 -12.495 -12.295 2.855 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.211 -11.589 0.609 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.579 -9.885 3.380 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.497 -10.762 4.488 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.815 -9.782 3.168 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.015 -14.788 2.577 1.00 0.00 N ATOM 1103 CA PRO A 72 -11.232 -16.114 1.992 1.00 0.00 C ATOM 1104 C PRO A 72 -12.386 -16.127 0.995 1.00 0.00 C ATOM 1105 O PRO A 72 -12.621 -17.125 0.317 1.00 0.00 O ATOM 1106 CB PRO A 72 -11.564 -16.987 3.205 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.115 -16.039 4.214 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.390 -14.739 4.000 1.00 0.00 C ATOM 0 HA PRO A 72 -10.365 -16.456 1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.289 -17.760 2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.676 -17.495 3.582 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.190 -15.912 4.084 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.958 -16.412 5.226 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.028 -13.882 4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.514 -14.657 4.644 1.00 0.00 H new ATOM 1116 N ASN A 73 -13.103 -15.010 0.913 1.00 0.00 N ATOM 1117 CA ASN A 73 -14.233 -14.894 -0.002 1.00 0.00 C ATOM 1118 C ASN A 73 -13.811 -14.220 -1.304 1.00 0.00 C ATOM 1119 O ASN A 73 -14.555 -13.420 -1.870 1.00 0.00 O ATOM 1120 CB ASN A 73 -15.365 -14.100 0.653 1.00 0.00 C ATOM 1121 CG ASN A 73 -16.309 -14.984 1.445 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -16.210 -15.077 2.668 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -17.229 -15.640 0.748 1.00 0.00 N ATOM 0 H ASN A 73 -12.922 -14.174 1.468 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.588 -15.899 -0.232 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.940 -13.344 1.313 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.927 -13.571 -0.117 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.891 -16.252 1.226 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -17.274 -15.532 -0.265 1.00 0.00 H new ATOM 1130 N ASN A 74 -12.613 -14.551 -1.774 1.00 0.00 N ATOM 1131 CA ASN A 74 -12.092 -13.978 -3.010 1.00 0.00 C ATOM 1132 C ASN A 74 -12.250 -12.461 -3.016 1.00 0.00 C ATOM 1133 O ASN A 74 -12.589 -11.867 -4.038 1.00 0.00 O ATOM 1134 CB ASN A 74 -12.811 -14.581 -4.219 1.00 0.00 C ATOM 1135 CG ASN A 74 -12.353 -13.969 -5.529 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -11.223 -13.492 -5.642 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -13.230 -13.980 -6.526 1.00 0.00 N ATOM 0 H ASN A 74 -11.985 -15.213 -1.318 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.030 -14.215 -3.071 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -12.636 -15.657 -4.243 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.886 -14.435 -4.109 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.978 -13.582 -7.431 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.155 -14.386 -6.387 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.000 -11.842 -1.866 1.00 0.00 N ATOM 1145 CA GLN A 75 -12.115 -10.394 -1.739 1.00 0.00 C ATOM 1146 C GLN A 75 -11.021 -9.839 -0.833 1.00 0.00 C ATOM 1147 O GLN A 75 -10.138 -10.572 -0.388 1.00 0.00 O ATOM 1148 CB GLN A 75 -13.491 -10.016 -1.187 1.00 0.00 C ATOM 1149 CG GLN A 75 -14.609 -10.131 -2.210 1.00 0.00 C ATOM 1150 CD GLN A 75 -15.973 -10.292 -1.568 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -16.129 -10.107 -0.361 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -16.970 -10.639 -2.374 1.00 0.00 N ATOM 0 H GLN A 75 -11.717 -12.320 -1.011 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.997 -9.957 -2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.721 -10.658 -0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.455 -8.992 -0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.611 -9.242 -2.841 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.415 -10.984 -2.861 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.795 -10.782 -3.369 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.910 -10.762 -1.998 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.085 -8.539 -0.564 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.099 -7.885 0.288 1.00 0.00 C ATOM 1163 C PHE A 76 -10.781 -7.015 1.340 1.00 0.00 C ATOM 1164 O PHE A 76 -11.900 -6.544 1.141 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.149 -7.033 -0.556 1.00 0.00 C ATOM 1166 CG PHE A 76 -8.265 -7.842 -1.463 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -8.750 -8.336 -2.663 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -6.950 -8.106 -1.116 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -7.939 -9.081 -3.499 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -6.135 -8.850 -1.948 1.00 0.00 C ATOM 1171 CZ PHE A 76 -6.630 -9.337 -3.142 1.00 0.00 C ATOM 0 H PHE A 76 -11.810 -7.918 -0.924 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.526 -8.659 0.798 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.734 -6.338 -1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.525 -6.434 0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.772 -8.137 -2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.557 -7.726 -0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.329 -9.463 -4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.112 -9.050 -1.665 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.995 -9.917 -3.795 1.00 0.00 H new ATOM 1181 N MET A 77 -10.097 -6.806 2.461 1.00 0.00 N ATOM 1182 CA MET A 77 -10.635 -5.992 3.544 1.00 0.00 C ATOM 1183 C MET A 77 -9.784 -4.746 3.763 1.00 0.00 C ATOM 1184 O MET A 77 -8.580 -4.839 4.002 1.00 0.00 O ATOM 1185 CB MET A 77 -10.707 -6.808 4.836 1.00 0.00 C ATOM 1186 CG MET A 77 -11.994 -7.604 4.981 1.00 0.00 C ATOM 1187 SD MET A 77 -11.901 -8.844 6.288 1.00 0.00 S ATOM 1188 CE MET A 77 -11.363 -7.839 7.670 1.00 0.00 C ATOM 0 H MET A 77 -9.169 -7.189 2.642 1.00 0.00 H new ATOM 0 HA MET A 77 -11.641 -5.678 3.264 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.860 -7.493 4.871 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.608 -6.135 5.687 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.817 -6.921 5.191 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.221 -8.095 4.035 1.00 0.00 H new ATOM 0 HE1 MET A 77 -11.719 -8.280 8.601 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.274 -7.792 7.683 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.769 -6.832 7.568 1.00 0.00 H new ATOM 1198 N MET A 78 -10.417 -3.580 3.679 1.00 0.00 N ATOM 1199 CA MET A 78 -9.716 -2.315 3.869 1.00 0.00 C ATOM 1200 C MET A 78 -10.509 -1.387 4.784 1.00 0.00 C ATOM 1201 O MET A 78 -11.342 -0.608 4.323 1.00 0.00 O ATOM 1202 CB MET A 78 -9.472 -1.635 2.521 1.00 0.00 C ATOM 1203 CG MET A 78 -9.056 -0.178 2.642 1.00 0.00 C ATOM 1204 SD MET A 78 -8.049 0.374 1.252 1.00 0.00 S ATOM 1205 CE MET A 78 -7.445 1.941 1.872 1.00 0.00 C ATOM 0 H MET A 78 -11.413 -3.485 3.481 1.00 0.00 H new ATOM 0 HA MET A 78 -8.756 -2.527 4.339 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.698 -2.182 1.982 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.381 -1.696 1.923 1.00 0.00 H new ATOM 0 HG2 MET A 78 -9.947 0.446 2.710 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.498 -0.039 3.568 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.599 2.714 1.119 1.00 0.00 H new ATOM 0 HE2 MET A 78 -7.986 2.206 2.780 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.381 1.859 2.094 1.00 0.00 H new ATOM 1215 N GLY A 79 -10.243 -1.476 6.084 1.00 0.00 N ATOM 1216 CA GLY A 79 -10.940 -0.638 7.043 1.00 0.00 C ATOM 1217 C GLY A 79 -12.278 -1.219 7.455 1.00 0.00 C ATOM 1218 O GLY A 79 -13.295 -0.528 7.438 1.00 0.00 O ATOM 0 H GLY A 79 -9.558 -2.113 6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.316 -0.507 7.927 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.094 0.351 6.612 1.00 0.00 H new ATOM 1222 N GLY A 80 -12.278 -2.496 7.826 1.00 0.00 N ATOM 1223 CA GLY A 80 -13.507 -3.149 8.237 1.00 0.00 C ATOM 1224 C GLY A 80 -14.558 -3.147 7.145 1.00 0.00 C ATOM 1225 O GLY A 80 -15.757 -3.158 7.428 1.00 0.00 O ATOM 0 H GLY A 80 -11.449 -3.090 7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.289 -4.177 8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.904 -2.647 9.120 1.00 0.00 H new ATOM 1229 N ARG A 81 -14.110 -3.130 5.894 1.00 0.00 N ATOM 1230 CA ARG A 81 -15.021 -3.123 4.756 1.00 0.00 C ATOM 1231 C ARG A 81 -14.704 -4.268 3.799 1.00 0.00 C ATOM 1232 O ARG A 81 -13.591 -4.795 3.792 1.00 0.00 O ATOM 1233 CB ARG A 81 -14.936 -1.787 4.016 1.00 0.00 C ATOM 1234 CG ARG A 81 -15.335 -0.592 4.867 1.00 0.00 C ATOM 1235 CD ARG A 81 -15.142 0.716 4.115 1.00 0.00 C ATOM 1236 NE ARG A 81 -15.738 1.846 4.823 1.00 0.00 N ATOM 1237 CZ ARG A 81 -15.436 3.114 4.569 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -14.549 3.412 3.630 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -16.021 4.087 5.256 1.00 0.00 N ATOM 0 H ARG A 81 -13.121 -3.121 5.643 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.035 -3.258 5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.916 -1.644 3.659 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.579 -1.827 3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.378 -0.690 5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.740 -0.579 5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.077 0.898 3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.587 0.634 3.123 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.424 1.651 5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.097 2.667 3.101 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.319 4.387 3.437 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.703 3.861 5.980 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -15.788 5.061 5.060 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.690 -4.649 2.993 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.517 -5.733 2.034 1.00 0.00 C ATOM 1255 C TYR A 82 -15.745 -5.241 0.608 1.00 0.00 C ATOM 1256 O TYR A 82 -16.811 -4.719 0.283 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.480 -6.879 2.350 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.550 -7.223 3.821 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.430 -7.690 4.499 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.735 -7.083 4.532 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.490 -8.006 5.843 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.804 -7.396 5.876 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.678 -7.857 6.526 1.00 0.00 C ATOM 1264 OH TYR A 82 -16.742 -8.171 7.865 1.00 0.00 O ATOM 0 H TYR A 82 -16.617 -4.223 2.985 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.492 -6.095 2.114 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.477 -6.611 2.000 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -16.173 -7.764 1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.498 -7.808 3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.618 -6.723 4.025 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.611 -8.368 6.355 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.733 -7.281 6.414 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.650 -8.009 8.196 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.735 -5.412 -0.238 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.823 -4.985 -1.629 1.00 0.00 C ATOM 1276 C TYR A 83 -14.566 -6.153 -2.575 1.00 0.00 C ATOM 1277 O TYR A 83 -14.018 -7.180 -2.177 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.821 -3.862 -1.903 1.00 0.00 C ATOM 1279 CG TYR A 83 -14.182 -2.553 -1.238 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -13.933 -2.346 0.113 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.772 -1.523 -1.960 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -14.261 -1.152 0.726 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -15.103 -0.325 -1.357 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.846 -0.144 -0.014 1.00 0.00 C ATOM 1285 OH TYR A 83 -15.175 1.047 0.591 1.00 0.00 O ATOM 0 H TYR A 83 -13.846 -5.843 0.015 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.833 -4.614 -1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.835 -4.175 -1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.749 -3.705 -2.979 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.475 -3.132 0.694 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -14.976 -1.661 -3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.061 -1.008 1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -15.560 0.465 -1.934 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.577 1.649 -0.069 1.00 0.00 H new ATOM 1295 N ASN A 84 -14.966 -5.987 -3.832 1.00 0.00 N ATOM 1296 CA ASN A 84 -14.779 -7.027 -4.837 1.00 0.00 C ATOM 1297 C ASN A 84 -13.297 -7.246 -5.125 1.00 0.00 C ATOM 1298 O ASN A 84 -12.797 -8.368 -5.043 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.511 -6.655 -6.128 1.00 0.00 C ATOM 1300 CG ASN A 84 -15.256 -5.220 -6.544 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -15.002 -4.354 -5.706 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -15.323 -4.960 -7.845 1.00 0.00 N ATOM 0 H ASN A 84 -15.421 -5.143 -4.178 1.00 0.00 H new ATOM 0 HA ASN A 84 -15.195 -7.955 -4.445 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.194 -7.324 -6.928 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -16.582 -6.806 -5.992 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -15.161 -4.012 -8.185 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -15.536 -5.708 -8.504 1.00 0.00 H new ATOM 1309 N SER A 85 -12.599 -6.166 -5.461 1.00 0.00 N ATOM 1310 CA SER A 85 -11.175 -6.240 -5.764 1.00 0.00 C ATOM 1311 C SER A 85 -10.499 -4.892 -5.531 1.00 0.00 C ATOM 1312 O SER A 85 -11.127 -3.840 -5.661 1.00 0.00 O ATOM 1313 CB SER A 85 -10.962 -6.687 -7.212 1.00 0.00 C ATOM 1314 OG SER A 85 -11.613 -5.811 -8.116 1.00 0.00 O ATOM 0 H SER A 85 -12.997 -5.229 -5.530 1.00 0.00 H new ATOM 0 HA SER A 85 -10.724 -6.973 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.895 -6.717 -7.434 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.343 -7.700 -7.343 1.00 0.00 H new ATOM 0 HG SER A 85 -11.461 -6.117 -9.035 1.00 0.00 H new ATOM 1320 N ILE A 86 -9.216 -4.932 -5.187 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.455 -3.714 -4.937 1.00 0.00 C ATOM 1322 C ILE A 86 -8.833 -2.617 -5.926 1.00 0.00 C ATOM 1323 O ILE A 86 -9.325 -1.558 -5.537 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.939 -3.970 -5.027 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.494 -4.924 -3.916 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -6.174 -2.657 -4.943 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -4.994 -5.095 -3.832 1.00 0.00 C ATOM 0 H ILE A 86 -8.682 -5.794 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.702 -3.389 -3.926 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.720 -4.435 -5.988 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.863 -4.553 -2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.954 -5.899 -4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.104 -2.855 -5.008 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.474 -2.008 -5.766 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.396 -2.167 -3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.751 -5.784 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.620 -5.495 -4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.528 -4.129 -3.638 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.601 -2.878 -7.209 1.00 0.00 N ATOM 1340 CA GLY A 87 -8.925 -1.903 -8.235 1.00 0.00 C ATOM 1341 C GLY A 87 -10.209 -1.155 -7.938 1.00 0.00 C ATOM 1342 O GLY A 87 -10.282 0.061 -8.116 1.00 0.00 O ATOM 0 H GLY A 87 -8.195 -3.747 -7.556 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.106 -1.190 -8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.016 -2.408 -9.196 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.225 -1.882 -7.487 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.514 -1.279 -7.166 1.00 0.00 C ATOM 1348 C ASP A 88 -12.383 -0.309 -5.995 1.00 0.00 C ATOM 1349 O ASP A 88 -12.829 0.836 -6.073 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.540 -2.363 -6.834 1.00 0.00 C ATOM 1351 CG ASP A 88 -14.935 -1.802 -6.646 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -15.513 -1.306 -7.636 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -15.450 -1.859 -5.510 1.00 0.00 O ATOM 0 H ASP A 88 -11.181 -2.890 -7.335 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.855 -0.723 -8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.554 -3.103 -7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.235 -2.882 -5.925 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.771 -0.776 -4.912 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.582 0.050 -3.726 1.00 0.00 C ATOM 1360 C ILE A 89 -11.143 1.461 -4.103 1.00 0.00 C ATOM 1361 O ILE A 89 -11.427 2.422 -3.388 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.540 -0.563 -2.773 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.990 -1.952 -2.315 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -10.316 0.349 -1.576 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.925 -2.713 -1.557 1.00 0.00 C ATOM 0 H ILE A 89 -11.398 -1.722 -4.831 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.545 0.096 -3.217 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.596 -0.666 -3.308 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.871 -1.849 -1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.290 -2.534 -3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.577 -0.098 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.956 1.319 -1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.255 0.481 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.314 -3.688 -1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.051 -2.848 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.642 -2.152 -0.666 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.449 1.577 -5.231 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.973 2.871 -5.704 1.00 0.00 C ATOM 1379 C ILE A 90 -11.104 3.675 -6.337 1.00 0.00 C ATOM 1380 O ILE A 90 -11.265 4.863 -6.059 1.00 0.00 O ATOM 1381 CB ILE A 90 -8.836 2.711 -6.730 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.635 2.014 -6.088 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.431 4.067 -7.289 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -7.715 0.504 -6.137 1.00 0.00 C ATOM 0 H ILE A 90 -10.204 0.791 -5.833 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.594 3.406 -4.833 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.194 2.093 -7.553 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.725 2.338 -6.593 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.554 2.332 -5.049 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.626 3.937 -8.013 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.288 4.529 -7.779 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.088 4.708 -6.477 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.831 0.077 -5.664 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.607 0.170 -5.607 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.765 0.176 -7.175 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.885 3.019 -7.188 1.00 0.00 N ATOM 1397 CA ASP A 91 -13.003 3.672 -7.858 1.00 0.00 C ATOM 1398 C ASP A 91 -13.988 4.241 -6.843 1.00 0.00 C ATOM 1399 O ASP A 91 -14.615 5.274 -7.081 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.718 2.684 -8.783 1.00 0.00 C ATOM 1401 CG ASP A 91 -14.440 3.377 -9.922 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -13.815 4.226 -10.591 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -15.630 3.070 -10.144 1.00 0.00 O ATOM 0 H ASP A 91 -11.764 2.036 -7.430 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.607 4.495 -8.453 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.991 1.982 -9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.434 2.101 -8.204 1.00 0.00 H new ATOM 1408 N HIS A 92 -14.122 3.560 -5.709 1.00 0.00 N ATOM 1409 CA HIS A 92 -15.032 3.998 -4.656 1.00 0.00 C ATOM 1410 C HIS A 92 -14.453 5.190 -3.900 1.00 0.00 C ATOM 1411 O HIS A 92 -15.184 6.093 -3.493 1.00 0.00 O ATOM 1412 CB HIS A 92 -15.312 2.850 -3.686 1.00 0.00 C ATOM 1413 CG HIS A 92 -16.584 3.017 -2.913 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -16.632 3.584 -1.657 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -17.860 2.690 -3.225 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -17.882 3.597 -1.229 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -18.647 3.060 -2.162 1.00 0.00 N ATOM 0 H HIS A 92 -13.612 2.703 -5.496 1.00 0.00 H new ATOM 0 HA HIS A 92 -15.968 4.306 -5.122 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.356 1.915 -4.245 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -14.480 2.765 -2.987 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -18.197 2.225 -4.140 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -18.220 3.981 -0.278 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -19.658 2.940 -2.103 1.00 0.00 H new ATOM 1425 N TYR A 93 -13.138 5.184 -3.713 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.463 6.264 -3.003 1.00 0.00 C ATOM 1427 C TYR A 93 -12.386 7.520 -3.865 1.00 0.00 C ATOM 1428 O TYR A 93 -12.340 8.637 -3.351 1.00 0.00 O ATOM 1429 CB TYR A 93 -11.056 5.828 -2.590 1.00 0.00 C ATOM 1430 CG TYR A 93 -11.008 5.119 -1.255 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.696 5.618 -0.156 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -10.277 3.949 -1.094 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.655 4.974 1.065 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -10.231 3.297 0.123 1.00 0.00 C ATOM 1435 CZ TYR A 93 -10.921 3.814 1.200 1.00 0.00 C ATOM 1436 OH TYR A 93 -10.879 3.168 2.414 1.00 0.00 O ATOM 0 H TYR A 93 -12.519 4.444 -4.043 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.043 6.495 -2.109 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.650 5.168 -3.357 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.410 6.705 -2.549 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.273 6.525 -0.258 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.735 3.542 -1.935 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.195 5.376 1.910 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.658 2.388 0.231 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.237 2.261 2.314 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.373 7.327 -5.180 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.301 8.443 -6.115 1.00 0.00 C ATOM 1448 C ARG A 94 -13.455 9.415 -5.890 1.00 0.00 C ATOM 1449 O ARG A 94 -13.444 10.537 -6.397 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.325 7.931 -7.556 1.00 0.00 C ATOM 1451 CG ARG A 94 -11.009 7.319 -8.007 1.00 0.00 C ATOM 1452 CD ARG A 94 -10.832 7.426 -9.514 1.00 0.00 C ATOM 1453 NE ARG A 94 -10.700 8.813 -9.952 1.00 0.00 N ATOM 1454 CZ ARG A 94 -10.848 9.202 -11.214 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -11.132 8.313 -12.156 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -10.712 10.482 -11.535 1.00 0.00 N ATOM 0 H ARG A 94 -12.411 6.408 -5.622 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.364 8.971 -5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.115 7.186 -7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.579 8.756 -8.222 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.182 7.822 -7.506 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.973 6.271 -7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.948 6.865 -9.816 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.686 6.968 -10.013 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.482 9.521 -9.251 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.237 7.328 -11.913 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.245 8.614 -13.124 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.494 11.168 -10.813 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.826 10.780 -12.504 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.451 8.978 -5.128 1.00 0.00 N ATOM 1471 CA LYS A 95 -15.613 9.808 -4.834 1.00 0.00 C ATOM 1472 C LYS A 95 -15.784 9.993 -3.330 1.00 0.00 C ATOM 1473 O LYS A 95 -16.482 10.902 -2.883 1.00 0.00 O ATOM 1474 CB LYS A 95 -16.877 9.181 -5.428 1.00 0.00 C ATOM 1475 CG LYS A 95 -16.783 8.923 -6.922 1.00 0.00 C ATOM 1476 CD LYS A 95 -16.165 7.567 -7.216 1.00 0.00 C ATOM 1477 CE LYS A 95 -16.281 7.209 -8.690 1.00 0.00 C ATOM 1478 NZ LYS A 95 -15.136 7.741 -9.481 1.00 0.00 N ATOM 0 H LYS A 95 -14.477 8.052 -4.702 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.452 10.787 -5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.080 8.240 -4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.724 9.838 -5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -17.778 8.974 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -16.186 9.705 -7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.115 7.574 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -16.658 6.803 -6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.325 6.125 -8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -17.214 7.607 -9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.426 7.863 -10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.841 8.659 -9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.341 7.073 -9.433 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.140 9.126 -2.555 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.221 9.196 -1.100 1.00 0.00 C ATOM 1494 C GLU A 96 -13.873 9.583 -0.498 1.00 0.00 C ATOM 1495 O GLU A 96 -12.821 9.205 -1.014 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.682 7.854 -0.528 1.00 0.00 C ATOM 1497 CG GLU A 96 -15.092 7.540 0.837 1.00 0.00 C ATOM 1498 CD GLU A 96 -15.585 8.482 1.917 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -16.221 9.500 1.571 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -15.336 8.202 3.108 1.00 0.00 O ATOM 0 H GLU A 96 -14.557 8.368 -2.909 1.00 0.00 H new ATOM 0 HA GLU A 96 -15.949 9.963 -0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.769 7.855 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.411 7.060 -1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -15.345 6.516 1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -14.005 7.596 0.780 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.914 10.337 0.595 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.696 10.775 1.267 1.00 0.00 C ATOM 1509 C GLN A 97 -12.003 9.605 1.956 1.00 0.00 C ATOM 1510 O GLN A 97 -12.438 9.150 3.015 1.00 0.00 O ATOM 1511 CB GLN A 97 -13.017 11.867 2.289 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.587 13.133 1.668 1.00 0.00 C ATOM 1513 CD GLN A 97 -13.981 14.165 2.706 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -14.725 13.869 3.642 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -13.482 15.386 2.546 1.00 0.00 N ATOM 0 H GLN A 97 -14.777 10.658 1.034 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.021 11.180 0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.730 11.476 3.015 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.109 12.118 2.837 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.849 13.566 0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.459 12.877 1.066 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.869 15.587 1.756 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.712 16.122 3.214 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.924 9.122 1.349 1.00 0.00 N ATOM 1525 CA ILE A 98 -10.171 8.005 1.906 1.00 0.00 C ATOM 1526 C ILE A 98 -9.504 8.392 3.221 1.00 0.00 C ATOM 1527 O ILE A 98 -9.201 7.536 4.052 1.00 0.00 O ATOM 1528 CB ILE A 98 -9.094 7.507 0.924 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -8.205 6.459 1.596 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -8.258 8.674 0.420 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.392 5.639 0.619 1.00 0.00 C ATOM 0 H ILE A 98 -10.552 9.486 0.472 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.886 7.202 2.087 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.588 7.043 0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.528 6.959 2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.830 5.790 2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.501 8.307 -0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.902 9.389 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.771 9.164 1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.786 4.917 1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.062 5.111 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.741 6.298 0.045 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.281 9.689 3.405 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.653 10.192 4.622 1.00 0.00 C ATOM 1545 C VAL A 99 -9.557 11.191 5.335 1.00 0.00 C ATOM 1546 O VAL A 99 -10.610 11.566 4.820 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.301 10.865 4.318 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.405 10.841 5.547 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.621 10.187 3.139 1.00 0.00 C ATOM 0 H VAL A 99 -9.526 10.411 2.727 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.485 9.332 5.271 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.485 11.906 4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.454 11.321 5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.891 11.377 6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.226 9.808 5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.667 10.676 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.448 9.137 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.259 10.262 2.259 1.00 0.00 H new ATOM 1559 N GLU A 100 -9.138 11.617 6.522 1.00 0.00 N ATOM 1560 CA GLU A 100 -9.911 12.572 7.307 1.00 0.00 C ATOM 1561 C GLU A 100 -10.588 13.598 6.401 1.00 0.00 C ATOM 1562 O GLU A 100 -11.681 14.079 6.698 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.010 13.284 8.317 1.00 0.00 C ATOM 1564 CG GLU A 100 -7.900 14.100 7.675 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.388 15.203 8.580 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -7.982 16.301 8.573 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -6.392 14.968 9.295 1.00 0.00 O ATOM 0 H GLU A 100 -8.268 11.316 6.961 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.683 12.021 7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.621 13.941 8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.566 12.542 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.074 13.439 7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.267 14.538 6.747 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.929 13.928 5.295 1.00 0.00 N ATOM 1575 CA GLY A 101 -10.481 14.894 4.363 1.00 0.00 C ATOM 1576 C GLY A 101 -9.642 15.034 3.108 1.00 0.00 C ATOM 1577 O GLY A 101 -9.201 16.132 2.767 1.00 0.00 O ATOM 0 H GLY A 101 -9.023 13.544 5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.492 14.593 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.560 15.864 4.854 1.00 0.00 H new ATOM 1581 N TYR A 102 -9.420 13.920 2.420 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.624 13.922 1.198 1.00 0.00 C ATOM 1583 C TYR A 102 -9.240 13.005 0.146 1.00 0.00 C ATOM 1584 O TYR A 102 -10.021 12.109 0.467 1.00 0.00 O ATOM 1585 CB TYR A 102 -7.190 13.484 1.497 1.00 0.00 C ATOM 1586 CG TYR A 102 -6.332 14.580 2.087 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -6.481 14.969 3.412 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -5.371 15.226 1.318 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.700 15.971 3.955 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.584 16.228 1.853 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.753 16.597 3.171 1.00 0.00 C ATOM 1592 OH TYR A 102 -3.972 17.595 3.708 1.00 0.00 O ATOM 0 H TYR A 102 -9.780 13.004 2.687 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.611 14.939 0.805 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.213 12.641 2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.728 13.129 0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.220 14.480 4.029 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.237 14.940 0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.830 16.262 4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.841 16.719 1.242 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.100 17.604 3.262 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.881 13.235 -1.112 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.398 12.431 -2.214 1.00 0.00 C ATOM 1604 C TYR A 103 -8.259 11.857 -3.051 1.00 0.00 C ATOM 1605 O TYR A 103 -7.179 12.442 -3.135 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.322 13.272 -3.097 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.656 13.582 -2.456 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -12.529 12.563 -2.096 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -12.042 14.893 -2.209 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -13.749 12.841 -1.511 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.260 15.181 -1.623 1.00 0.00 C ATOM 1612 CZ TYR A 103 -14.110 14.152 -1.276 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.324 14.434 -0.693 1.00 0.00 O ATOM 0 H TYR A 103 -8.234 13.971 -1.394 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.966 11.603 -1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -9.821 14.208 -3.344 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.493 12.744 -4.035 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -12.249 11.536 -2.277 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -11.379 15.701 -2.480 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.417 12.037 -1.239 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -13.545 16.206 -1.438 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.423 15.404 -0.597 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.509 10.708 -3.669 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.506 10.053 -4.501 1.00 0.00 C ATOM 1625 C LEU A 104 -7.502 10.637 -5.910 1.00 0.00 C ATOM 1626 O LEU A 104 -8.413 10.389 -6.700 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.770 8.547 -4.562 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.668 7.793 -3.236 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -8.058 6.335 -3.419 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.260 7.903 -2.667 1.00 0.00 C ATOM 0 H LEU A 104 -9.398 10.211 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.528 10.227 -4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.768 8.390 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.065 8.103 -5.264 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.362 8.247 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.979 5.815 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.084 6.276 -3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.390 5.868 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.206 7.361 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.548 7.475 -3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.017 8.952 -2.497 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.469 11.413 -6.220 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.342 12.031 -7.534 1.00 0.00 C ATOM 1644 C LYS A 105 -5.856 11.018 -8.567 1.00 0.00 C ATOM 1645 O LYS A 105 -6.613 10.600 -9.442 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.376 13.216 -7.473 1.00 0.00 C ATOM 1647 CG LYS A 105 -5.986 14.467 -6.866 1.00 0.00 C ATOM 1648 CD LYS A 105 -6.937 15.150 -7.835 1.00 0.00 C ATOM 1649 CE LYS A 105 -7.027 16.644 -7.570 1.00 0.00 C ATOM 1650 NZ LYS A 105 -7.728 17.363 -8.670 1.00 0.00 N ATOM 0 H LYS A 105 -5.707 11.629 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.326 12.388 -7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.500 12.930 -6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.029 13.443 -8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.521 14.206 -5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.193 15.160 -6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.599 14.981 -8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.928 14.704 -7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.554 16.815 -6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.023 17.053 -7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.768 18.379 -8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.212 17.222 -9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.694 16.991 -8.767 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.590 10.628 -8.456 1.00 0.00 N ATOM 1665 CA GLU A 106 -4.005 9.664 -9.381 1.00 0.00 C ATOM 1666 C GLU A 106 -2.840 8.924 -8.730 1.00 0.00 C ATOM 1667 O GLU A 106 -2.062 9.492 -7.962 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.530 10.368 -10.653 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.407 11.364 -10.415 1.00 0.00 C ATOM 1670 CD GLU A 106 -2.125 12.227 -11.630 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -1.922 11.661 -12.724 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -2.108 13.467 -11.486 1.00 0.00 O ATOM 0 H GLU A 106 -3.951 10.964 -7.736 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.774 8.937 -9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.193 9.618 -11.369 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.374 10.887 -11.108 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.667 12.004 -9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.501 10.825 -10.139 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.715 7.626 -9.043 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.648 6.780 -8.500 1.00 0.00 C ATOM 1681 C PRO A 107 -0.277 7.147 -9.057 1.00 0.00 C ATOM 1682 O PRO A 107 -0.165 7.966 -9.969 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.048 5.373 -8.949 1.00 0.00 C ATOM 1684 CG PRO A 107 -2.879 5.586 -10.168 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.605 6.884 -9.952 1.00 0.00 C ATOM 0 HA PRO A 107 -1.553 6.887 -7.419 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.172 4.764 -9.169 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.610 4.854 -8.172 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.257 5.631 -11.062 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.582 4.765 -10.310 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.759 7.419 -10.889 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.589 6.725 -9.510 1.00 0.00 H new ATOM 1693 N VAL A 108 0.765 6.535 -8.503 1.00 0.00 N ATOM 1694 CA VAL A 108 2.130 6.797 -8.946 1.00 0.00 C ATOM 1695 C VAL A 108 2.455 6.015 -10.214 1.00 0.00 C ATOM 1696 O VAL A 108 2.271 4.800 -10.288 1.00 0.00 O ATOM 1697 CB VAL A 108 3.153 6.433 -7.855 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.562 6.419 -8.428 1.00 0.00 C ATOM 1699 CG2 VAL A 108 3.054 7.402 -6.687 1.00 0.00 C ATOM 0 H VAL A 108 0.690 5.855 -7.747 1.00 0.00 H new ATOM 0 HA VAL A 108 2.197 7.865 -9.154 1.00 0.00 H new ATOM 0 HB VAL A 108 2.925 5.432 -7.487 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.272 6.160 -7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.622 5.682 -9.229 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.804 7.405 -8.824 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.784 7.129 -5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.255 8.415 -7.036 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.052 7.357 -6.261 1.00 0.00 H new ATOM 1709 N PRO A 109 2.951 6.727 -11.237 1.00 0.00 N ATOM 1710 CA PRO A 109 3.314 6.120 -12.521 1.00 0.00 C ATOM 1711 C PRO A 109 4.548 5.231 -12.414 1.00 0.00 C ATOM 1712 O PRO A 109 5.456 5.505 -11.630 1.00 0.00 O ATOM 1713 CB PRO A 109 3.602 7.329 -13.416 1.00 0.00 C ATOM 1714 CG PRO A 109 3.993 8.414 -12.472 1.00 0.00 C ATOM 1715 CD PRO A 109 3.196 8.179 -11.219 1.00 0.00 C ATOM 0 HA PRO A 109 2.527 5.469 -12.901 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.401 7.115 -14.126 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.724 7.608 -13.999 1.00 0.00 H new ATOM 0 HG2 PRO A 109 5.063 8.385 -12.265 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.777 9.395 -12.894 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.748 8.482 -10.329 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.264 8.744 -11.224 1.00 0.00 H new ATOM 1723 N MET A 110 4.574 4.164 -13.206 1.00 0.00 N ATOM 1724 CA MET A 110 5.698 3.236 -13.201 1.00 0.00 C ATOM 1725 C MET A 110 6.947 3.890 -13.783 1.00 0.00 C ATOM 1726 O MET A 110 6.871 4.954 -14.397 1.00 0.00 O ATOM 1727 CB MET A 110 5.350 1.976 -13.996 1.00 0.00 C ATOM 1728 CG MET A 110 4.389 1.046 -13.273 1.00 0.00 C ATOM 1729 SD MET A 110 3.684 -0.207 -14.360 1.00 0.00 S ATOM 1730 CE MET A 110 4.987 -0.371 -15.578 1.00 0.00 C ATOM 0 H MET A 110 3.829 3.921 -13.859 1.00 0.00 H new ATOM 0 HA MET A 110 5.903 2.959 -12.167 1.00 0.00 H new ATOM 0 HB2 MET A 110 4.911 2.268 -14.950 1.00 0.00 H new ATOM 0 HB3 MET A 110 6.268 1.433 -14.220 1.00 0.00 H new ATOM 0 HG2 MET A 110 4.912 0.556 -12.452 1.00 0.00 H new ATOM 0 HG3 MET A 110 3.584 1.634 -12.832 1.00 0.00 H new ATOM 0 HE1 MET A 110 4.783 -1.231 -16.216 1.00 0.00 H new ATOM 0 HE2 MET A 110 5.030 0.531 -16.188 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.942 -0.513 -15.072 1.00 0.00 H new