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= 0.0901 X(o=0.18,f=0.059) USER MOD Set 1.2: A 102 TYR OH : rot 30:sc= 0.0894 USER MOD Set 2.1: A 78 MET CE :methyl 142:sc= -0.79 (180deg=-3.26!) USER MOD Set 2.2: A 93 TYR OH : rot 150:sc= -0.165 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -143:sc= -0.528 (180deg=-2.16!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= -0.0107 (180deg=-0.0107) USER MOD Single : A 26 GLN : amide:sc= -0.47 K(o=-0.47,f=-1.6) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.504 K(o=-0.5,f=-3.9!) USER MOD Single : A 33 MET CE :methyl 173:sc= -2.53! (180deg=-3.26!) USER MOD Single : A 34 THR OG1 : rot -85:sc= 0.914 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 CYS SG : rot 180:sc= -0.762 USER MOD Single : A 40 SER OG : rot -95:sc= -0.362 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 54 SER OG : rot -150:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= -1.42 USER MOD Single : A 59 THR OG1 : rot -47:sc= 1.06 USER MOD Single : A 62 ASN : amide:sc= -0.236 K(o=-0.24,f=-3.2!) USER MOD Single : A 64 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.29) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.33 USER MOD Single : A 71 THR OG1 : rot -21:sc= 1.04 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.48) USER MOD Single : A 75 GLN : amide:sc= -2.53 K(o=-2.5,f=-14!) USER MOD Single : A 77 MET CE :methyl -122:sc= -0.0337 (180deg=-0.62) 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= -0.262 K(o=-0.26,f=-1.4) USER MOD Single : A 85 SER OG : rot 10:sc= 1.24 USER MOD Single : A 92 HIS : no HE2:sc= 0.00128 X(o=0.0013,f=-0.083) USER MOD Single : A 95 LYS NZ :NH3+ -160:sc= -0.0324 (180deg=-0.27) USER MOD Single : A 97 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.1) USER MOD Single : A 103 TYR OH : rot 180:sc=-0.00619 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -167:sc= -0.426 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -0.848 -2.924 -13.630 1.00 0.00 N ATOM 186 CA LYS A 16 -1.426 -1.664 -13.177 1.00 0.00 C ATOM 187 C LYS A 16 -0.351 -0.591 -13.037 1.00 0.00 C ATOM 188 O LYS A 16 0.844 -0.886 -13.087 1.00 0.00 O ATOM 189 CB LYS A 16 -2.142 -1.860 -11.838 1.00 0.00 C ATOM 190 CG LYS A 16 -3.156 -2.991 -11.851 1.00 0.00 C ATOM 191 CD LYS A 16 -4.416 -2.602 -12.606 1.00 0.00 C ATOM 192 CE LYS A 16 -5.375 -3.775 -12.733 1.00 0.00 C ATOM 193 NZ LYS A 16 -6.792 -3.327 -12.829 1.00 0.00 N ATOM 0 HA LYS A 16 -2.148 -1.335 -13.924 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.400 -2.057 -11.064 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.647 -0.933 -11.566 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.712 -3.873 -12.312 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.413 -3.262 -10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.912 -1.780 -12.089 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.149 -2.240 -13.599 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.119 -4.359 -13.617 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.260 -4.433 -11.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.413 -4.157 -12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.045 -2.791 -11.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.908 -2.720 -13.665 1.00 0.00 H new ATOM 207 N ILE A 17 -0.783 0.653 -12.862 1.00 0.00 N ATOM 208 CA ILE A 17 0.144 1.768 -12.713 1.00 0.00 C ATOM 209 C ILE A 17 0.429 2.054 -11.242 1.00 0.00 C ATOM 210 O ILE A 17 1.502 2.545 -10.892 1.00 0.00 O ATOM 211 CB ILE A 17 -0.403 3.047 -13.375 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.588 4.199 -13.206 1.00 0.00 C ATOM 213 CG2 ILE A 17 -1.756 3.413 -12.783 1.00 0.00 C ATOM 214 CD1 ILE A 17 0.403 5.309 -14.217 1.00 0.00 C ATOM 0 H ILE A 17 -1.768 0.914 -12.820 1.00 0.00 H new ATOM 0 HA ILE A 17 1.069 1.477 -13.210 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.534 2.859 -14.441 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.485 4.612 -12.202 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.603 3.810 -13.288 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.129 4.319 -13.261 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.459 2.598 -12.951 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.650 3.585 -11.712 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.140 6.092 -14.037 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.535 4.911 -15.223 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.600 5.725 -14.121 1.00 0.00 H new ATOM 226 N TRP A 18 -0.537 1.741 -10.387 1.00 0.00 N ATOM 227 CA TRP A 18 -0.390 1.961 -8.953 1.00 0.00 C ATOM 228 C TRP A 18 0.349 0.800 -8.296 1.00 0.00 C ATOM 229 O TRP A 18 1.149 0.998 -7.382 1.00 0.00 O ATOM 230 CB TRP A 18 -1.761 2.144 -8.300 1.00 0.00 C ATOM 231 CG TRP A 18 -2.810 1.230 -8.856 1.00 0.00 C ATOM 232 CD1 TRP A 18 -3.728 1.529 -9.822 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.050 -0.130 -8.479 1.00 0.00 C ATOM 234 NE1 TRP A 18 -4.524 0.436 -10.067 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.128 -0.595 -9.257 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.457 -1.001 -7.560 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.624 -1.890 -9.142 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -2.951 -2.287 -7.448 1.00 0.00 C ATOM 239 CH2 TRP A 18 -4.025 -2.722 -8.235 1.00 0.00 C ATOM 0 H TRP A 18 -1.431 1.334 -10.662 1.00 0.00 H new ATOM 0 HA TRP A 18 0.197 2.868 -8.809 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.671 1.972 -7.227 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.083 3.177 -8.431 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -3.815 2.483 -10.320 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.287 0.399 -10.743 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.628 -0.675 -6.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.453 -2.227 -9.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.501 -2.968 -6.741 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.387 -3.733 -8.124 1.00 0.00 H new ATOM 250 N PHE A 19 0.076 -0.412 -8.768 1.00 0.00 N ATOM 251 CA PHE A 19 0.715 -1.605 -8.226 1.00 0.00 C ATOM 252 C PHE A 19 2.226 -1.553 -8.429 1.00 0.00 C ATOM 253 O PHE A 19 2.710 -1.473 -9.559 1.00 0.00 O ATOM 254 CB PHE A 19 0.143 -2.861 -8.887 1.00 0.00 C ATOM 255 CG PHE A 19 0.670 -4.140 -8.303 1.00 0.00 C ATOM 256 CD1 PHE A 19 0.395 -4.482 -6.989 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.442 -5.000 -9.067 1.00 0.00 C ATOM 258 CE1 PHE A 19 0.880 -5.657 -6.448 1.00 0.00 C ATOM 259 CE2 PHE A 19 1.929 -6.178 -8.532 1.00 0.00 C ATOM 260 CZ PHE A 19 1.647 -6.507 -7.221 1.00 0.00 C ATOM 0 H PHE A 19 -0.583 -0.594 -9.525 1.00 0.00 H new ATOM 0 HA PHE A 19 0.511 -1.641 -7.156 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.943 -2.849 -8.793 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.371 -2.837 -9.953 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.206 -3.822 -6.380 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.666 -4.747 -10.093 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.660 -5.911 -5.422 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.529 -6.840 -9.139 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.025 -7.427 -6.801 1.00 0.00 H new ATOM 270 N HIS A 20 2.968 -1.599 -7.327 1.00 0.00 N ATOM 271 CA HIS A 20 4.424 -1.557 -7.383 1.00 0.00 C ATOM 272 C HIS A 20 5.028 -2.820 -6.776 1.00 0.00 C ATOM 273 O HIS A 20 5.260 -2.891 -5.570 1.00 0.00 O ATOM 274 CB HIS A 20 4.949 -0.323 -6.648 1.00 0.00 C ATOM 275 CG HIS A 20 5.022 0.901 -7.509 1.00 0.00 C ATOM 276 ND1 HIS A 20 6.006 1.098 -8.455 1.00 0.00 N ATOM 277 CD2 HIS A 20 4.225 1.993 -7.564 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.812 2.260 -9.053 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.737 2.823 -8.531 1.00 0.00 N ATOM 0 H HIS A 20 2.584 -1.665 -6.384 1.00 0.00 H new ATOM 0 HA HIS A 20 4.721 -1.500 -8.430 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.305 -0.118 -5.793 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.942 -0.540 -6.254 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.349 2.178 -6.960 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.428 2.678 -9.836 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.350 3.727 -8.802 1.00 0.00 H new ATOM 287 N GLY A 21 5.280 -3.815 -7.621 1.00 0.00 N ATOM 288 CA GLY A 21 5.853 -5.062 -7.149 1.00 0.00 C ATOM 289 C GLY A 21 7.330 -5.179 -7.469 1.00 0.00 C ATOM 290 O GLY A 21 8.000 -6.106 -7.015 1.00 0.00 O ATOM 0 H GLY A 21 5.098 -3.780 -8.624 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.711 -5.139 -6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.319 -5.898 -7.601 1.00 0.00 H new ATOM 294 N LYS A 22 7.840 -4.236 -8.255 1.00 0.00 N ATOM 295 CA LYS A 22 9.247 -4.236 -8.636 1.00 0.00 C ATOM 296 C LYS A 22 10.094 -3.519 -7.590 1.00 0.00 C ATOM 297 O LYS A 22 11.203 -3.952 -7.273 1.00 0.00 O ATOM 298 CB LYS A 22 9.427 -3.566 -10.000 1.00 0.00 C ATOM 299 CG LYS A 22 9.141 -4.488 -11.173 1.00 0.00 C ATOM 300 CD LYS A 22 7.649 -4.707 -11.360 1.00 0.00 C ATOM 301 CE LYS A 22 7.018 -3.586 -12.172 1.00 0.00 C ATOM 302 NZ LYS A 22 6.647 -2.424 -11.318 1.00 0.00 N ATOM 0 H LYS A 22 7.299 -3.462 -8.640 1.00 0.00 H new ATOM 0 HA LYS A 22 9.580 -5.272 -8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.768 -2.700 -10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.449 -3.195 -10.081 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.564 -4.062 -12.083 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.633 -5.447 -11.011 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.480 -5.660 -11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.164 -4.769 -10.386 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.714 -3.261 -12.945 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.130 -3.961 -12.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.755 -2.012 -11.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.527 -2.740 -10.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.399 -1.707 -11.362 1.00 0.00 H new ATOM 316 N ILE A 23 9.566 -2.423 -7.057 1.00 0.00 N ATOM 317 CA ILE A 23 10.273 -1.649 -6.045 1.00 0.00 C ATOM 318 C ILE A 23 10.038 -2.221 -4.651 1.00 0.00 C ATOM 319 O ILE A 23 9.271 -3.168 -4.479 1.00 0.00 O ATOM 320 CB ILE A 23 9.838 -0.171 -6.061 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.521 0.004 -5.303 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.702 0.325 -7.493 1.00 0.00 C ATOM 323 CD1 ILE A 23 8.705 0.371 -3.847 1.00 0.00 C ATOM 0 H ILE A 23 8.650 -2.051 -7.309 1.00 0.00 H new ATOM 0 HA ILE A 23 11.334 -1.710 -6.286 1.00 0.00 H new ATOM 0 HB ILE A 23 10.603 0.424 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.930 0.778 -5.792 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.949 -0.922 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.394 1.371 -7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.661 0.231 -8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.954 -0.271 -8.015 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.729 0.479 -3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.269 -0.414 -3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.249 1.313 -3.775 1.00 0.00 H new ATOM 335 N SER A 24 10.703 -1.638 -3.659 1.00 0.00 N ATOM 336 CA SER A 24 10.568 -2.091 -2.279 1.00 0.00 C ATOM 337 C SER A 24 10.053 -0.967 -1.386 1.00 0.00 C ATOM 338 O SER A 24 10.295 0.211 -1.648 1.00 0.00 O ATOM 339 CB SER A 24 11.912 -2.600 -1.754 1.00 0.00 C ATOM 340 OG SER A 24 12.314 -3.776 -2.435 1.00 0.00 O ATOM 0 H SER A 24 11.340 -0.852 -3.785 1.00 0.00 H new ATOM 0 HA SER A 24 9.845 -2.907 -2.259 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.671 -1.827 -1.878 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.835 -2.803 -0.686 1.00 0.00 H new ATOM 0 HG SER A 24 13.176 -4.080 -2.082 1.00 0.00 H new ATOM 346 N LYS A 25 9.339 -1.340 -0.329 1.00 0.00 N ATOM 347 CA LYS A 25 8.789 -0.365 0.606 1.00 0.00 C ATOM 348 C LYS A 25 9.713 0.842 0.740 1.00 0.00 C ATOM 349 O LYS A 25 9.318 1.971 0.452 1.00 0.00 O ATOM 350 CB LYS A 25 8.572 -1.009 1.977 1.00 0.00 C ATOM 351 CG LYS A 25 8.126 -0.027 3.046 1.00 0.00 C ATOM 352 CD LYS A 25 7.661 -0.744 4.303 1.00 0.00 C ATOM 353 CE LYS A 25 7.120 0.234 5.334 1.00 0.00 C ATOM 354 NZ LYS A 25 8.203 0.798 6.187 1.00 0.00 N ATOM 0 H LYS A 25 9.128 -2.311 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 25 7.830 -0.025 0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.825 -1.797 1.885 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.499 -1.485 2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.950 0.643 3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.317 0.591 2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.888 -1.468 4.045 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.492 -1.304 4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.598 1.045 4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.388 -0.271 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.793 1.460 6.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.685 0.027 6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.889 1.302 5.589 1.00 0.00 H new ATOM 368 N GLN A 26 10.943 0.594 1.177 1.00 0.00 N ATOM 369 CA GLN A 26 11.922 1.661 1.348 1.00 0.00 C ATOM 370 C GLN A 26 11.855 2.651 0.190 1.00 0.00 C ATOM 371 O GLN A 26 11.789 3.862 0.400 1.00 0.00 O ATOM 372 CB GLN A 26 13.332 1.077 1.454 1.00 0.00 C ATOM 373 CG GLN A 26 13.738 0.723 2.875 1.00 0.00 C ATOM 374 CD GLN A 26 13.685 1.914 3.811 1.00 0.00 C ATOM 375 OE1 GLN A 26 13.657 3.064 3.370 1.00 0.00 O ATOM 376 NE2 GLN A 26 13.670 1.646 5.111 1.00 0.00 N ATOM 0 H GLN A 26 11.285 -0.336 1.419 1.00 0.00 H new ATOM 0 HA GLN A 26 11.686 2.192 2.271 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.393 0.183 0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.045 1.795 1.049 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.080 -0.060 3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.749 0.315 2.869 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.694 0.678 5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.634 2.408 5.788 1.00 0.00 H new ATOM 385 N GLU A 27 11.873 2.128 -1.032 1.00 0.00 N ATOM 386 CA GLU A 27 11.816 2.968 -2.223 1.00 0.00 C ATOM 387 C GLU A 27 10.475 3.690 -2.315 1.00 0.00 C ATOM 388 O GLU A 27 10.423 4.918 -2.381 1.00 0.00 O ATOM 389 CB GLU A 27 12.041 2.124 -3.480 1.00 0.00 C ATOM 390 CG GLU A 27 13.505 1.972 -3.856 1.00 0.00 C ATOM 391 CD GLU A 27 14.368 1.547 -2.684 1.00 0.00 C ATOM 392 OE1 GLU A 27 13.841 0.872 -1.774 1.00 0.00 O ATOM 393 OE2 GLU A 27 15.568 1.889 -2.675 1.00 0.00 O ATOM 0 H GLU A 27 11.927 1.128 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 27 12.607 3.715 -2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.610 1.135 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.506 2.579 -4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.596 1.236 -4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.875 2.918 -4.250 1.00 0.00 H new ATOM 400 N ALA A 28 9.393 2.918 -2.320 1.00 0.00 N ATOM 401 CA ALA A 28 8.052 3.484 -2.403 1.00 0.00 C ATOM 402 C ALA A 28 7.969 4.811 -1.657 1.00 0.00 C ATOM 403 O ALA A 28 7.263 5.728 -2.078 1.00 0.00 O ATOM 404 CB ALA A 28 7.030 2.501 -1.851 1.00 0.00 C ATOM 0 H ALA A 28 9.419 1.900 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 28 7.828 3.673 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.033 2.936 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.063 1.578 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.261 2.284 -0.808 1.00 0.00 H new ATOM 410 N TYR A 29 8.693 4.908 -0.548 1.00 0.00 N ATOM 411 CA TYR A 29 8.699 6.123 0.258 1.00 0.00 C ATOM 412 C TYR A 29 9.336 7.280 -0.505 1.00 0.00 C ATOM 413 O TYR A 29 8.769 8.368 -0.591 1.00 0.00 O ATOM 414 CB TYR A 29 9.450 5.886 1.569 1.00 0.00 C ATOM 415 CG TYR A 29 8.566 5.399 2.695 1.00 0.00 C ATOM 416 CD1 TYR A 29 7.682 6.261 3.333 1.00 0.00 C ATOM 417 CD2 TYR A 29 8.614 4.077 3.120 1.00 0.00 C ATOM 418 CE1 TYR A 29 6.873 5.820 4.362 1.00 0.00 C ATOM 419 CE2 TYR A 29 7.808 3.628 4.148 1.00 0.00 C ATOM 420 CZ TYR A 29 6.939 4.503 4.765 1.00 0.00 C ATOM 421 OH TYR A 29 6.135 4.059 5.790 1.00 0.00 O ATOM 0 H TYR A 29 9.284 4.159 -0.186 1.00 0.00 H new ATOM 0 HA TYR A 29 7.665 6.386 0.482 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.241 5.156 1.398 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.934 6.814 1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.627 7.293 3.019 1.00 0.00 H new ATOM 0 HD2 TYR A 29 9.293 3.389 2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.192 6.503 4.848 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.858 2.597 4.467 1.00 0.00 H new ATOM 0 HH TYR A 29 6.304 3.107 5.949 1.00 0.00 H new ATOM 431 N ASN A 30 10.519 7.035 -1.059 1.00 0.00 N ATOM 432 CA ASN A 30 11.235 8.055 -1.815 1.00 0.00 C ATOM 433 C ASN A 30 10.520 8.361 -3.128 1.00 0.00 C ATOM 434 O ASN A 30 10.718 9.421 -3.723 1.00 0.00 O ATOM 435 CB ASN A 30 12.669 7.600 -2.096 1.00 0.00 C ATOM 436 CG ASN A 30 13.444 7.313 -0.825 1.00 0.00 C ATOM 437 OD1 ASN A 30 12.859 7.058 0.228 1.00 0.00 O ATOM 438 ND2 ASN A 30 14.768 7.355 -0.917 1.00 0.00 N ATOM 0 H ASN A 30 11.002 6.139 -0.998 1.00 0.00 H new ATOM 0 HA ASN A 30 11.261 8.965 -1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.648 6.704 -2.716 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.186 8.371 -2.668 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.342 7.172 -0.094 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.211 7.570 -1.810 1.00 0.00 H new ATOM 445 N LEU A 31 9.688 7.426 -3.573 1.00 0.00 N ATOM 446 CA LEU A 31 8.942 7.595 -4.816 1.00 0.00 C ATOM 447 C LEU A 31 7.843 8.640 -4.653 1.00 0.00 C ATOM 448 O LEU A 31 7.818 9.646 -5.364 1.00 0.00 O ATOM 449 CB LEU A 31 8.334 6.262 -5.253 1.00 0.00 C ATOM 450 CG LEU A 31 9.278 5.295 -5.969 1.00 0.00 C ATOM 451 CD1 LEU A 31 8.589 3.963 -6.219 1.00 0.00 C ATOM 452 CD2 LEU A 31 9.767 5.899 -7.278 1.00 0.00 C ATOM 0 H LEU A 31 9.513 6.544 -3.092 1.00 0.00 H new ATOM 0 HA LEU A 31 9.635 7.940 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.934 5.762 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.491 6.469 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 31 10.142 5.119 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.276 3.288 -6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.289 3.524 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.707 4.120 -6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.438 5.198 -7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.914 6.105 -7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.300 6.828 -7.074 1.00 0.00 H new ATOM 464 N LEU A 32 6.937 8.397 -3.713 1.00 0.00 N ATOM 465 CA LEU A 32 5.836 9.318 -3.454 1.00 0.00 C ATOM 466 C LEU A 32 6.359 10.701 -3.082 1.00 0.00 C ATOM 467 O LEU A 32 5.604 11.672 -3.044 1.00 0.00 O ATOM 468 CB LEU A 32 4.946 8.778 -2.334 1.00 0.00 C ATOM 469 CG LEU A 32 3.947 7.691 -2.734 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.448 6.946 -1.506 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.782 8.296 -3.504 1.00 0.00 C ATOM 0 H LEU A 32 6.943 7.569 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 32 5.247 9.407 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.587 8.382 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.392 9.612 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 32 4.455 6.978 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.738 6.177 -1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.291 6.480 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.956 7.646 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.081 7.509 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.275 9.030 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.155 8.783 -4.405 1.00 0.00 H new ATOM 483 N MET A 33 7.658 10.784 -2.810 1.00 0.00 N ATOM 484 CA MET A 33 8.282 12.050 -2.444 1.00 0.00 C ATOM 485 C MET A 33 9.006 12.664 -3.638 1.00 0.00 C ATOM 486 O MET A 33 9.148 13.884 -3.731 1.00 0.00 O ATOM 487 CB MET A 33 9.264 11.843 -1.289 1.00 0.00 C ATOM 488 CG MET A 33 8.621 11.958 0.083 1.00 0.00 C ATOM 489 SD MET A 33 8.658 13.641 0.730 1.00 0.00 S ATOM 490 CE MET A 33 7.756 14.514 -0.548 1.00 0.00 C ATOM 0 H MET A 33 8.298 9.990 -2.836 1.00 0.00 H new ATOM 0 HA MET A 33 7.497 12.736 -2.126 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.723 10.859 -1.385 1.00 0.00 H new ATOM 0 HB3 MET A 33 10.066 12.577 -1.368 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.587 11.618 0.025 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.136 11.295 0.778 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.585 15.544 -0.234 1.00 0.00 H new ATOM 0 HE2 MET A 33 8.335 14.507 -1.471 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.798 14.023 -0.717 1.00 0.00 H new ATOM 500 N THR A 34 9.463 11.811 -4.550 1.00 0.00 N ATOM 501 CA THR A 34 10.173 12.270 -5.737 1.00 0.00 C ATOM 502 C THR A 34 9.248 12.317 -6.948 1.00 0.00 C ATOM 503 O THR A 34 8.859 13.393 -7.403 1.00 0.00 O ATOM 504 CB THR A 34 11.375 11.362 -6.059 1.00 0.00 C ATOM 505 OG1 THR A 34 10.922 10.037 -6.356 1.00 0.00 O ATOM 506 CG2 THR A 34 12.350 11.321 -4.892 1.00 0.00 C ATOM 0 H THR A 34 9.354 10.799 -4.489 1.00 0.00 H new ATOM 0 HA THR A 34 10.534 13.275 -5.520 1.00 0.00 H new ATOM 0 HB THR A 34 11.890 11.772 -6.928 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.821 9.531 -5.523 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.190 10.674 -5.143 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.715 12.327 -4.688 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.844 10.932 -4.008 1.00 0.00 H new ATOM 514 N VAL A 35 8.898 11.144 -7.465 1.00 0.00 N ATOM 515 CA VAL A 35 8.016 11.051 -8.622 1.00 0.00 C ATOM 516 C VAL A 35 6.580 11.403 -8.249 1.00 0.00 C ATOM 517 O VAL A 35 5.922 12.183 -8.935 1.00 0.00 O ATOM 518 CB VAL A 35 8.044 9.640 -9.238 1.00 0.00 C ATOM 519 CG1 VAL A 35 9.418 9.335 -9.814 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.649 8.599 -8.201 1.00 0.00 C ATOM 0 H VAL A 35 9.212 10.244 -7.101 1.00 0.00 H new ATOM 0 HA VAL A 35 8.383 11.767 -9.357 1.00 0.00 H new ATOM 0 HB VAL A 35 7.320 9.603 -10.052 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.418 8.334 -10.245 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.658 10.063 -10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.165 9.389 -9.022 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.674 7.607 -8.653 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.348 8.635 -7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.642 8.808 -7.841 1.00 0.00 H new ATOM 530 N GLY A 36 6.100 10.821 -7.154 1.00 0.00 N ATOM 531 CA GLY A 36 4.745 11.085 -6.707 1.00 0.00 C ATOM 532 C GLY A 36 4.629 12.392 -5.947 1.00 0.00 C ATOM 533 O GLY A 36 5.637 13.010 -5.607 1.00 0.00 O ATOM 0 H GLY A 36 6.625 10.172 -6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.079 11.110 -7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.410 10.267 -6.070 1.00 0.00 H new ATOM 537 N GLN A 37 3.396 12.813 -5.683 1.00 0.00 N ATOM 538 CA GLN A 37 3.154 14.056 -4.961 1.00 0.00 C ATOM 539 C GLN A 37 1.783 14.039 -4.291 1.00 0.00 C ATOM 540 O GLN A 37 1.005 13.103 -4.473 1.00 0.00 O ATOM 541 CB GLN A 37 3.255 15.251 -5.911 1.00 0.00 C ATOM 542 CG GLN A 37 3.555 16.564 -5.207 1.00 0.00 C ATOM 543 CD GLN A 37 4.313 17.538 -6.087 1.00 0.00 C ATOM 544 OE1 GLN A 37 3.929 17.789 -7.230 1.00 0.00 O ATOM 545 NE2 GLN A 37 5.397 18.094 -5.559 1.00 0.00 N ATOM 0 H GLN A 37 2.551 12.312 -5.958 1.00 0.00 H new ATOM 0 HA GLN A 37 3.916 14.151 -4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.036 15.055 -6.646 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.318 15.348 -6.460 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.619 17.022 -4.887 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.137 16.365 -4.307 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.680 17.858 -4.608 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.947 18.757 -6.105 1.00 0.00 H new ATOM 554 N VAL A 38 1.495 15.080 -3.517 1.00 0.00 N ATOM 555 CA VAL A 38 0.218 15.184 -2.821 1.00 0.00 C ATOM 556 C VAL A 38 -0.911 14.585 -3.651 1.00 0.00 C ATOM 557 O VAL A 38 -0.934 14.719 -4.875 1.00 0.00 O ATOM 558 CB VAL A 38 -0.123 16.649 -2.491 1.00 0.00 C ATOM 559 CG1 VAL A 38 -1.242 16.719 -1.463 1.00 0.00 C ATOM 560 CG2 VAL A 38 1.112 17.386 -1.998 1.00 0.00 C ATOM 0 H VAL A 38 2.128 15.863 -3.356 1.00 0.00 H new ATOM 0 HA VAL A 38 0.318 14.624 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.469 17.137 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.469 17.762 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.132 16.230 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.928 16.215 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.852 18.420 -1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.491 16.900 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.880 17.367 -2.771 1.00 0.00 H new ATOM 570 N CYS A 39 -1.847 13.924 -2.978 1.00 0.00 N ATOM 571 CA CYS A 39 -2.980 13.303 -3.654 1.00 0.00 C ATOM 572 C CYS A 39 -2.527 12.115 -4.496 1.00 0.00 C ATOM 573 O CYS A 39 -3.072 11.858 -5.569 1.00 0.00 O ATOM 574 CB CYS A 39 -3.697 14.326 -4.537 1.00 0.00 C ATOM 575 SG CYS A 39 -4.078 15.883 -3.702 1.00 0.00 S ATOM 0 H CYS A 39 -1.843 13.805 -1.965 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.672 12.942 -2.893 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.077 14.536 -5.409 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.624 13.887 -4.904 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.681 16.683 -4.530 1.00 0.00 H new ATOM 581 N SER A 40 -1.524 11.395 -4.003 1.00 0.00 N ATOM 582 CA SER A 40 -0.993 10.237 -4.713 1.00 0.00 C ATOM 583 C SER A 40 -1.034 8.993 -3.830 1.00 0.00 C ATOM 584 O SER A 40 -0.807 9.068 -2.622 1.00 0.00 O ATOM 585 CB SER A 40 0.442 10.506 -5.169 1.00 0.00 C ATOM 586 OG SER A 40 1.301 10.705 -4.060 1.00 0.00 O ATOM 0 H SER A 40 -1.063 11.593 -3.115 1.00 0.00 H new ATOM 0 HA SER A 40 -1.618 10.060 -5.589 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.801 9.667 -5.765 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.464 11.386 -5.812 1.00 0.00 H new ATOM 0 HG SER A 40 1.388 11.665 -3.882 1.00 0.00 H new ATOM 592 N PHE A 41 -1.325 7.850 -4.442 1.00 0.00 N ATOM 593 CA PHE A 41 -1.396 6.589 -3.713 1.00 0.00 C ATOM 594 C PHE A 41 -0.758 5.460 -4.517 1.00 0.00 C ATOM 595 O PHE A 41 -0.587 5.567 -5.732 1.00 0.00 O ATOM 596 CB PHE A 41 -2.852 6.244 -3.392 1.00 0.00 C ATOM 597 CG PHE A 41 -3.537 5.467 -4.480 1.00 0.00 C ATOM 598 CD1 PHE A 41 -3.285 4.115 -4.648 1.00 0.00 C ATOM 599 CD2 PHE A 41 -4.433 6.088 -5.334 1.00 0.00 C ATOM 600 CE1 PHE A 41 -3.914 3.397 -5.647 1.00 0.00 C ATOM 601 CE2 PHE A 41 -5.066 5.375 -6.335 1.00 0.00 C ATOM 602 CZ PHE A 41 -4.805 4.028 -6.492 1.00 0.00 C ATOM 0 H PHE A 41 -1.515 7.771 -5.441 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.843 6.704 -2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.885 5.667 -2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.404 7.166 -3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.589 3.616 -3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.640 7.142 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.709 2.343 -5.767 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.764 5.871 -6.993 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.297 3.469 -7.274 1.00 0.00 H new ATOM 612 N LEU A 42 -0.409 4.378 -3.830 1.00 0.00 N ATOM 613 CA LEU A 42 0.211 3.227 -4.478 1.00 0.00 C ATOM 614 C LEU A 42 0.173 2.004 -3.568 1.00 0.00 C ATOM 615 O LEU A 42 0.180 2.128 -2.343 1.00 0.00 O ATOM 616 CB LEU A 42 1.657 3.549 -4.859 1.00 0.00 C ATOM 617 CG LEU A 42 2.695 3.387 -3.749 1.00 0.00 C ATOM 618 CD1 LEU A 42 2.938 1.915 -3.456 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.996 4.079 -4.131 1.00 0.00 C ATOM 0 H LEU A 42 -0.545 4.273 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.355 3.002 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.943 2.908 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.697 4.577 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 42 2.308 3.857 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.680 1.819 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.005 1.448 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.303 1.420 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.724 3.954 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.387 3.638 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.810 5.141 -4.289 1.00 0.00 H new ATOM 631 N VAL A 43 0.135 0.822 -4.175 1.00 0.00 N ATOM 632 CA VAL A 43 0.100 -0.425 -3.420 1.00 0.00 C ATOM 633 C VAL A 43 1.315 -1.291 -3.731 1.00 0.00 C ATOM 634 O VAL A 43 1.847 -1.255 -4.841 1.00 0.00 O ATOM 635 CB VAL A 43 -1.180 -1.228 -3.721 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.345 -2.364 -2.723 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.397 -0.315 -3.708 1.00 0.00 C ATOM 0 H VAL A 43 0.128 0.702 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 43 0.111 -0.155 -2.364 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.090 -1.662 -4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.254 -2.920 -2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.486 -3.032 -2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.413 -1.956 -1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.292 -0.899 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.493 0.149 -2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.279 0.460 -4.466 1.00 0.00 H new ATOM 647 N ARG A 44 1.750 -2.068 -2.745 1.00 0.00 N ATOM 648 CA ARG A 44 2.904 -2.943 -2.913 1.00 0.00 C ATOM 649 C ARG A 44 2.789 -4.172 -2.016 1.00 0.00 C ATOM 650 O ARG A 44 2.313 -4.101 -0.883 1.00 0.00 O ATOM 651 CB ARG A 44 4.195 -2.186 -2.598 1.00 0.00 C ATOM 652 CG ARG A 44 4.235 -1.610 -1.192 1.00 0.00 C ATOM 653 CD ARG A 44 5.645 -1.197 -0.799 1.00 0.00 C ATOM 654 NE ARG A 44 6.475 -2.347 -0.449 1.00 0.00 N ATOM 655 CZ ARG A 44 6.270 -3.101 0.625 1.00 0.00 C ATOM 656 NH1 ARG A 44 5.269 -2.828 1.450 1.00 0.00 N ATOM 657 NH2 ARG A 44 7.069 -4.131 0.876 1.00 0.00 N ATOM 0 H ARG A 44 1.321 -2.110 -1.821 1.00 0.00 H new ATOM 0 HA ARG A 44 2.930 -3.274 -3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.042 -2.859 -2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.316 -1.376 -3.317 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.572 -0.747 -1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.861 -2.349 -0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.107 -0.654 -1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.599 -0.512 0.048 1.00 0.00 H new ATOM 0 HE ARG A 44 7.254 -2.584 -1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.653 -2.037 1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.114 -3.409 2.274 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.841 -4.344 0.244 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.911 -4.710 1.701 1.00 0.00 H new ATOM 671 N PRO A 45 3.236 -5.326 -2.533 1.00 0.00 N ATOM 672 CA PRO A 45 3.195 -6.592 -1.795 1.00 0.00 C ATOM 673 C PRO A 45 4.181 -6.618 -0.632 1.00 0.00 C ATOM 674 O PRO A 45 5.369 -6.350 -0.808 1.00 0.00 O ATOM 675 CB PRO A 45 3.585 -7.630 -2.851 1.00 0.00 C ATOM 676 CG PRO A 45 4.393 -6.872 -3.847 1.00 0.00 C ATOM 677 CD PRO A 45 3.816 -5.484 -3.877 1.00 0.00 C ATOM 0 HA PRO A 45 2.219 -6.769 -1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.161 -8.445 -2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.704 -8.075 -3.313 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.445 -6.851 -3.562 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.338 -7.339 -4.830 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.582 -4.735 -4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.060 -5.380 -4.656 1.00 0.00 H new ATOM 685 N SER A 46 3.680 -6.943 0.555 1.00 0.00 N ATOM 686 CA SER A 46 4.516 -7.001 1.748 1.00 0.00 C ATOM 687 C SER A 46 5.675 -7.974 1.552 1.00 0.00 C ATOM 688 O SER A 46 5.499 -9.190 1.629 1.00 0.00 O ATOM 689 CB SER A 46 3.683 -7.420 2.961 1.00 0.00 C ATOM 690 OG SER A 46 4.494 -7.549 4.116 1.00 0.00 O ATOM 0 H SER A 46 2.699 -7.170 0.716 1.00 0.00 H new ATOM 0 HA SER A 46 4.925 -6.006 1.924 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.902 -6.682 3.142 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.185 -8.367 2.755 1.00 0.00 H new ATOM 0 HG SER A 46 3.938 -7.816 4.878 1.00 0.00 H new ATOM 757 N ASP A 52 0.150 -10.466 1.506 1.00 0.00 N ATOM 758 CA ASP A 52 -0.599 -9.312 1.989 1.00 0.00 C ATOM 759 C ASP A 52 -0.311 -8.080 1.136 1.00 0.00 C ATOM 760 O ASP A 52 0.495 -8.131 0.207 1.00 0.00 O ATOM 761 CB ASP A 52 -0.251 -9.028 3.451 1.00 0.00 C ATOM 762 CG ASP A 52 -1.156 -9.768 4.416 1.00 0.00 C ATOM 763 OD1 ASP A 52 -1.770 -10.773 4.001 1.00 0.00 O ATOM 764 OD2 ASP A 52 -1.251 -9.342 5.587 1.00 0.00 O ATOM 0 HA ASP A 52 -1.662 -9.542 1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.784 -9.313 3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.325 -7.957 3.637 1.00 0.00 H new ATOM 769 N TYR A 53 -0.975 -6.976 1.458 1.00 0.00 N ATOM 770 CA TYR A 53 -0.793 -5.732 0.720 1.00 0.00 C ATOM 771 C TYR A 53 -0.997 -4.523 1.628 1.00 0.00 C ATOM 772 O TYR A 53 -1.775 -4.573 2.581 1.00 0.00 O ATOM 773 CB TYR A 53 -1.765 -5.667 -0.459 1.00 0.00 C ATOM 774 CG TYR A 53 -1.577 -6.784 -1.461 1.00 0.00 C ATOM 775 CD1 TYR A 53 -0.609 -6.696 -2.455 1.00 0.00 C ATOM 776 CD2 TYR A 53 -2.366 -7.926 -1.415 1.00 0.00 C ATOM 777 CE1 TYR A 53 -0.434 -7.713 -3.373 1.00 0.00 C ATOM 778 CE2 TYR A 53 -2.197 -8.949 -2.328 1.00 0.00 C ATOM 779 CZ TYR A 53 -1.230 -8.838 -3.305 1.00 0.00 C ATOM 780 OH TYR A 53 -1.059 -9.854 -4.217 1.00 0.00 O ATOM 0 H TYR A 53 -1.644 -6.917 2.225 1.00 0.00 H new ATOM 0 HA TYR A 53 0.229 -5.711 0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.786 -5.699 -0.079 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.643 -4.710 -0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.017 -5.817 -2.510 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.125 -8.016 -0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.322 -7.628 -4.140 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.819 -9.831 -2.277 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.698 -10.573 -4.029 1.00 0.00 H new ATOM 790 N SER A 54 -0.292 -3.438 1.326 1.00 0.00 N ATOM 791 CA SER A 54 -0.392 -2.216 2.116 1.00 0.00 C ATOM 792 C SER A 54 -0.371 -0.984 1.217 1.00 0.00 C ATOM 793 O SER A 54 0.567 -0.781 0.444 1.00 0.00 O ATOM 794 CB SER A 54 0.753 -2.143 3.128 1.00 0.00 C ATOM 795 OG SER A 54 0.679 -3.209 4.060 1.00 0.00 O ATOM 0 H SER A 54 0.355 -3.380 0.540 1.00 0.00 H new ATOM 0 HA SER A 54 -1.341 -2.236 2.652 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.708 -2.179 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.715 -1.190 3.656 1.00 0.00 H new ATOM 0 HG SER A 54 1.060 -2.922 4.916 1.00 0.00 H new ATOM 801 N LEU A 55 -1.410 -0.164 1.323 1.00 0.00 N ATOM 802 CA LEU A 55 -1.513 1.049 0.520 1.00 0.00 C ATOM 803 C LEU A 55 -0.597 2.141 1.064 1.00 0.00 C ATOM 804 O LEU A 55 -0.279 2.164 2.253 1.00 0.00 O ATOM 805 CB LEU A 55 -2.959 1.547 0.494 1.00 0.00 C ATOM 806 CG LEU A 55 -3.246 2.728 -0.434 1.00 0.00 C ATOM 807 CD1 LEU A 55 -3.440 2.248 -1.864 1.00 0.00 C ATOM 808 CD2 LEU A 55 -4.470 3.496 0.043 1.00 0.00 C ATOM 0 H LEU A 55 -2.194 -0.317 1.958 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.200 0.810 -0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.603 0.717 0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.243 1.830 1.508 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.388 3.400 -0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.643 3.102 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.536 1.743 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.280 1.555 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.659 4.333 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.335 2.833 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.293 3.873 1.050 1.00 0.00 H new ATOM 820 N TYR A 56 -0.178 3.046 0.186 1.00 0.00 N ATOM 821 CA TYR A 56 0.701 4.141 0.578 1.00 0.00 C ATOM 822 C TYR A 56 0.212 5.466 0.002 1.00 0.00 C ATOM 823 O TYR A 56 0.509 5.806 -1.144 1.00 0.00 O ATOM 824 CB TYR A 56 2.132 3.866 0.112 1.00 0.00 C ATOM 825 CG TYR A 56 2.888 2.911 1.006 1.00 0.00 C ATOM 826 CD1 TYR A 56 3.601 3.373 2.105 1.00 0.00 C ATOM 827 CD2 TYR A 56 2.888 1.544 0.753 1.00 0.00 C ATOM 828 CE1 TYR A 56 4.294 2.503 2.925 1.00 0.00 C ATOM 829 CE2 TYR A 56 3.577 0.667 1.568 1.00 0.00 C ATOM 830 CZ TYR A 56 4.279 1.151 2.652 1.00 0.00 C ATOM 831 OH TYR A 56 4.966 0.281 3.467 1.00 0.00 O ATOM 0 H TYR A 56 -0.433 3.043 -0.802 1.00 0.00 H new ATOM 0 HA TYR A 56 0.687 4.212 1.666 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.104 3.459 -0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.676 4.809 0.060 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.614 4.431 2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.340 1.161 -0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.844 2.879 3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.566 -0.392 1.357 1.00 0.00 H new ATOM 0 HH TYR A 56 4.853 -0.635 3.137 1.00 0.00 H new ATOM 841 N PHE A 57 -0.540 6.211 0.805 1.00 0.00 N ATOM 842 CA PHE A 57 -1.072 7.500 0.377 1.00 0.00 C ATOM 843 C PHE A 57 -0.182 8.642 0.855 1.00 0.00 C ATOM 844 O PHE A 57 0.376 8.591 1.952 1.00 0.00 O ATOM 845 CB PHE A 57 -2.495 7.690 0.907 1.00 0.00 C ATOM 846 CG PHE A 57 -3.235 8.818 0.247 1.00 0.00 C ATOM 847 CD1 PHE A 57 -3.213 8.967 -1.130 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.951 9.731 1.005 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.893 10.004 -1.740 1.00 0.00 C ATOM 850 CE2 PHE A 57 -4.634 10.769 0.400 1.00 0.00 C ATOM 851 CZ PHE A 57 -4.604 10.907 -0.974 1.00 0.00 C ATOM 0 H PHE A 57 -0.795 5.944 1.756 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.093 7.512 -0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.054 6.766 0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.453 7.873 1.981 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.658 8.265 -1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.975 9.630 2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.868 10.108 -2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.191 11.472 1.001 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.135 11.719 -1.448 1.00 0.00 H new ATOM 861 N ARG A 58 -0.053 9.672 0.025 1.00 0.00 N ATOM 862 CA ARG A 58 0.770 10.827 0.362 1.00 0.00 C ATOM 863 C ARG A 58 -0.096 12.056 0.624 1.00 0.00 C ATOM 864 O ARG A 58 -0.993 12.375 -0.157 1.00 0.00 O ATOM 865 CB ARG A 58 1.761 11.120 -0.766 1.00 0.00 C ATOM 866 CG ARG A 58 2.451 12.468 -0.636 1.00 0.00 C ATOM 867 CD ARG A 58 3.584 12.419 0.378 1.00 0.00 C ATOM 868 NE ARG A 58 3.931 13.748 0.875 1.00 0.00 N ATOM 869 CZ ARG A 58 5.042 14.012 1.553 1.00 0.00 C ATOM 870 NH1 ARG A 58 5.910 13.043 1.812 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.288 15.246 1.972 1.00 0.00 N ATOM 0 H ARG A 58 -0.508 9.730 -0.886 1.00 0.00 H new ATOM 0 HA ARG A 58 1.323 10.593 1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.517 10.335 -0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.235 11.081 -1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.843 12.772 -1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.724 13.222 -0.335 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.295 11.783 1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.461 11.963 -0.080 1.00 0.00 H new ATOM 0 HE ARG A 58 3.285 14.515 0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.725 12.093 1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.763 13.248 2.333 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.623 15.994 1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.142 15.447 2.493 1.00 0.00 H new ATOM 885 N THR A 59 0.177 12.742 1.730 1.00 0.00 N ATOM 886 CA THR A 59 -0.578 13.933 2.096 1.00 0.00 C ATOM 887 C THR A 59 0.351 15.063 2.523 1.00 0.00 C ATOM 888 O THR A 59 1.531 14.841 2.791 1.00 0.00 O ATOM 889 CB THR A 59 -1.571 13.641 3.236 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.858 13.324 4.437 1.00 0.00 O ATOM 891 CG2 THR A 59 -2.493 12.488 2.869 1.00 0.00 C ATOM 0 H THR A 59 0.916 12.492 2.388 1.00 0.00 H new ATOM 0 HA THR A 59 -1.134 14.239 1.210 1.00 0.00 H new ATOM 0 HB THR A 59 -2.177 14.533 3.398 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.154 12.672 4.237 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.185 12.300 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.055 12.744 1.971 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.900 11.593 2.683 1.00 0.00 H new ATOM 899 N ASN A 60 -0.189 16.276 2.586 1.00 0.00 N ATOM 900 CA ASN A 60 0.593 17.442 2.982 1.00 0.00 C ATOM 901 C ASN A 60 1.379 17.161 4.259 1.00 0.00 C ATOM 902 O ASN A 60 2.535 17.562 4.388 1.00 0.00 O ATOM 903 CB ASN A 60 -0.323 18.650 3.189 1.00 0.00 C ATOM 904 CG ASN A 60 -0.599 19.394 1.897 1.00 0.00 C ATOM 905 OD1 ASN A 60 0.315 19.920 1.263 1.00 0.00 O ATOM 906 ND2 ASN A 60 -1.866 19.441 1.501 1.00 0.00 N ATOM 0 H ASN A 60 -1.165 16.477 2.368 1.00 0.00 H new ATOM 0 HA ASN A 60 1.300 17.663 2.182 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.266 18.317 3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.135 19.331 3.907 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.113 19.928 0.639 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.592 18.990 2.059 1.00 0.00 H new ATOM 913 N GLU A 61 0.744 16.469 5.199 1.00 0.00 N ATOM 914 CA GLU A 61 1.384 16.135 6.466 1.00 0.00 C ATOM 915 C GLU A 61 2.513 15.129 6.256 1.00 0.00 C ATOM 916 O GLU A 61 3.677 15.422 6.525 1.00 0.00 O ATOM 917 CB GLU A 61 0.358 15.568 7.448 1.00 0.00 C ATOM 918 CG GLU A 61 -0.519 16.629 8.092 1.00 0.00 C ATOM 919 CD GLU A 61 -1.491 16.050 9.102 1.00 0.00 C ATOM 920 OE1 GLU A 61 -2.499 15.448 8.678 1.00 0.00 O ATOM 921 OE2 GLU A 61 -1.241 16.198 10.316 1.00 0.00 O ATOM 0 H GLU A 61 -0.213 16.129 5.107 1.00 0.00 H new ATOM 0 HA GLU A 61 1.807 17.049 6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.277 14.853 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.881 15.018 8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.113 17.368 8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.077 17.154 7.316 1.00 0.00 H new ATOM 928 N ASN A 62 2.158 13.942 5.774 1.00 0.00 N ATOM 929 CA ASN A 62 3.140 12.892 5.529 1.00 0.00 C ATOM 930 C ASN A 62 2.490 11.686 4.858 1.00 0.00 C ATOM 931 O ASN A 62 1.268 11.625 4.717 1.00 0.00 O ATOM 932 CB ASN A 62 3.799 12.465 6.842 1.00 0.00 C ATOM 933 CG ASN A 62 2.802 11.890 7.830 1.00 0.00 C ATOM 934 OD1 ASN A 62 1.779 12.508 8.127 1.00 0.00 O ATOM 935 ND2 ASN A 62 3.098 10.702 8.344 1.00 0.00 N ATOM 0 H ASN A 62 1.198 13.684 5.546 1.00 0.00 H new ATOM 0 HA ASN A 62 3.903 13.291 4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.569 11.723 6.634 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.297 13.324 7.291 1.00 0.00 H new ATOM 0 HD21 ASN A 62 2.466 10.265 9.014 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.957 10.227 8.068 1.00 0.00 H new ATOM 942 N ILE A 63 3.315 10.729 4.447 1.00 0.00 N ATOM 943 CA ILE A 63 2.821 9.524 3.792 1.00 0.00 C ATOM 944 C ILE A 63 2.252 8.540 4.809 1.00 0.00 C ATOM 945 O ILE A 63 2.941 8.132 5.743 1.00 0.00 O ATOM 946 CB ILE A 63 3.931 8.826 2.984 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.418 9.735 1.854 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.429 7.503 2.428 1.00 0.00 C ATOM 949 CD1 ILE A 63 5.686 9.246 1.189 1.00 0.00 C ATOM 0 H ILE A 63 4.329 10.765 4.556 1.00 0.00 H new ATOM 0 HA ILE A 63 2.030 9.837 3.111 1.00 0.00 H new ATOM 0 HB ILE A 63 4.771 8.623 3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.633 9.820 1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.588 10.736 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.225 7.022 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.127 6.854 3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.575 7.683 1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.973 9.939 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.485 9.188 1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.515 8.258 0.761 1.00 0.00 H new ATOM 961 N GLN A 64 0.992 8.163 4.618 1.00 0.00 N ATOM 962 CA GLN A 64 0.332 7.225 5.518 1.00 0.00 C ATOM 963 C GLN A 64 0.493 5.791 5.025 1.00 0.00 C ATOM 964 O GLN A 64 1.123 5.545 3.996 1.00 0.00 O ATOM 965 CB GLN A 64 -1.153 7.569 5.647 1.00 0.00 C ATOM 966 CG GLN A 64 -1.427 8.749 6.566 1.00 0.00 C ATOM 967 CD GLN A 64 -2.897 8.894 6.908 1.00 0.00 C ATOM 968 OE1 GLN A 64 -3.560 7.922 7.271 1.00 0.00 O ATOM 969 NE2 GLN A 64 -3.414 10.111 6.793 1.00 0.00 N ATOM 0 H GLN A 64 0.408 8.492 3.849 1.00 0.00 H new ATOM 0 HA GLN A 64 0.804 7.307 6.497 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.554 7.789 4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.688 6.696 6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.854 8.629 7.486 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.077 9.665 6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.827 10.888 6.489 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.398 10.270 7.009 1.00 0.00 H new ATOM 978 N ARG A 65 -0.081 4.848 5.765 1.00 0.00 N ATOM 979 CA ARG A 65 0.001 3.438 5.403 1.00 0.00 C ATOM 980 C ARG A 65 -1.232 2.680 5.889 1.00 0.00 C ATOM 981 O ARG A 65 -1.584 2.737 7.067 1.00 0.00 O ATOM 982 CB ARG A 65 1.264 2.810 5.994 1.00 0.00 C ATOM 983 CG ARG A 65 1.504 1.380 5.537 1.00 0.00 C ATOM 984 CD ARG A 65 2.439 0.643 6.484 1.00 0.00 C ATOM 985 NE ARG A 65 2.584 -0.765 6.123 1.00 0.00 N ATOM 986 CZ ARG A 65 3.412 -1.600 6.741 1.00 0.00 C ATOM 987 NH1 ARG A 65 4.165 -1.171 7.744 1.00 0.00 N ATOM 988 NH2 ARG A 65 3.488 -2.867 6.355 1.00 0.00 N ATOM 0 H ARG A 65 -0.608 5.035 6.618 1.00 0.00 H new ATOM 0 HA ARG A 65 0.044 3.370 4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.125 3.419 5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.194 2.828 7.082 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.553 0.851 5.478 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.929 1.384 4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.418 1.123 6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.058 0.719 7.502 1.00 0.00 H new ATOM 0 HE ARG A 65 2.019 -1.127 5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.110 -0.197 8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.800 -1.814 8.217 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.910 -3.201 5.583 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.124 -3.508 6.830 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.883 1.971 4.973 1.00 0.00 N ATOM 1003 CA PHE A 66 -3.076 1.202 5.307 1.00 0.00 C ATOM 1004 C PHE A 66 -2.758 -0.287 5.392 1.00 0.00 C ATOM 1005 O PHE A 66 -1.632 -0.710 5.129 1.00 0.00 O ATOM 1006 CB PHE A 66 -4.171 1.443 4.265 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.453 2.897 4.016 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -3.537 3.688 3.341 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -5.634 3.472 4.456 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -3.794 5.026 3.112 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -5.896 4.810 4.229 1.00 0.00 C ATOM 1012 CZ PHE A 66 -4.976 5.588 3.555 1.00 0.00 C ATOM 0 H PHE A 66 -1.604 1.913 3.993 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.431 1.535 6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.878 0.972 3.327 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.088 0.955 4.594 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.612 3.254 2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.358 2.868 4.982 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.071 5.633 2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.820 5.247 4.579 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.180 6.633 3.374 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.758 -1.080 5.763 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.588 -2.523 5.883 1.00 0.00 C ATOM 1024 C LYS A 67 -4.651 -3.265 5.081 1.00 0.00 C ATOM 1025 O LYS A 67 -5.839 -2.953 5.169 1.00 0.00 O ATOM 1026 CB LYS A 67 -3.656 -2.944 7.353 1.00 0.00 C ATOM 1027 CG LYS A 67 -5.031 -2.764 7.974 1.00 0.00 C ATOM 1028 CD LYS A 67 -5.049 -3.210 9.427 1.00 0.00 C ATOM 1029 CE LYS A 67 -5.035 -4.726 9.545 1.00 0.00 C ATOM 1030 NZ LYS A 67 -4.564 -5.173 10.885 1.00 0.00 N ATOM 0 H LYS A 67 -4.696 -0.747 5.986 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.609 -2.783 5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.363 -3.991 7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.930 -2.363 7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.326 -1.717 7.910 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.765 -3.337 7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.185 -2.796 9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.937 -2.814 9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.038 -5.114 9.364 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.388 -5.144 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.569 -6.212 10.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.598 -4.825 11.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.196 -4.795 11.619 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.217 -4.249 4.300 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.133 -5.036 3.484 1.00 0.00 C ATOM 1046 C ILE A 68 -4.899 -6.530 3.681 1.00 0.00 C ATOM 1047 O ILE A 68 -3.836 -7.052 3.341 1.00 0.00 O ATOM 1048 CB ILE A 68 -4.988 -4.698 1.989 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.153 -3.194 1.765 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -6.007 -5.476 1.169 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -4.837 -2.754 0.353 1.00 0.00 C ATOM 0 H ILE A 68 -3.237 -4.520 4.215 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.142 -4.782 3.809 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.989 -4.987 1.662 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.178 -2.910 2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.503 -2.659 2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.892 -5.226 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.846 -6.545 1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.013 -5.214 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.976 -1.676 0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.804 -3.007 0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.504 -3.262 -0.344 1.00 0.00 H new ATOM 1063 N CYS A 69 -5.897 -7.213 4.231 1.00 0.00 N ATOM 1064 CA CYS A 69 -5.800 -8.648 4.472 1.00 0.00 C ATOM 1065 C CYS A 69 -6.749 -9.418 3.559 1.00 0.00 C ATOM 1066 O CYS A 69 -7.919 -9.068 3.402 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.114 -8.962 5.936 1.00 0.00 C ATOM 1068 SG CYS A 69 -5.536 -10.585 6.483 1.00 0.00 S ATOM 0 H CYS A 69 -6.782 -6.796 4.518 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.779 -8.961 4.251 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.662 -8.196 6.566 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.192 -8.903 6.086 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.846 -10.757 7.734 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.235 -10.491 2.941 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.019 -11.333 2.032 1.00 0.00 C ATOM 1076 C PRO A 70 -8.083 -12.143 2.765 1.00 0.00 C ATOM 1077 O PRO A 70 -7.865 -12.604 3.886 1.00 0.00 O ATOM 1078 CB PRO A 70 -5.970 -12.262 1.416 1.00 0.00 C ATOM 1079 CG PRO A 70 -4.875 -12.318 2.423 1.00 0.00 C ATOM 1080 CD PRO A 70 -4.848 -10.967 3.082 1.00 0.00 C ATOM 0 HA PRO A 70 -7.567 -10.741 1.299 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.382 -13.253 1.224 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.611 -11.876 0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.058 -13.105 3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.919 -12.540 1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.551 -11.036 4.129 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.141 -10.296 2.594 1.00 0.00 H new ATOM 1088 N THR A 71 -9.236 -12.313 2.125 1.00 0.00 N ATOM 1089 CA THR A 71 -10.334 -13.067 2.716 1.00 0.00 C ATOM 1090 C THR A 71 -10.761 -14.218 1.812 1.00 0.00 C ATOM 1091 O THR A 71 -10.757 -14.110 0.586 1.00 0.00 O ATOM 1092 CB THR A 71 -11.552 -12.165 2.989 1.00 0.00 C ATOM 1093 OG1 THR A 71 -12.117 -11.718 1.752 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.157 -10.964 3.835 1.00 0.00 C ATOM 0 H THR A 71 -9.433 -11.938 1.197 1.00 0.00 H new ATOM 0 HA THR A 71 -9.969 -13.468 3.661 1.00 0.00 H new ATOM 0 HB THR A 71 -12.293 -12.748 3.537 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.447 -11.791 1.041 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.034 -10.342 4.015 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.754 -11.307 4.788 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.400 -10.382 3.309 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.138 -15.348 2.429 1.00 0.00 N ATOM 1103 CA PRO A 72 -11.576 -16.541 1.698 1.00 0.00 C ATOM 1104 C PRO A 72 -12.928 -16.342 1.022 1.00 0.00 C ATOM 1105 O PRO A 72 -13.376 -17.189 0.250 1.00 0.00 O ATOM 1106 CB PRO A 72 -11.675 -17.609 2.790 1.00 0.00 C ATOM 1107 CG PRO A 72 -11.909 -16.845 4.047 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.166 -15.548 3.888 1.00 0.00 C ATOM 0 HA PRO A 72 -10.891 -16.800 0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.491 -18.304 2.591 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.761 -18.200 2.850 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.973 -16.668 4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.547 -17.399 4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -11.674 -14.729 4.396 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.161 -15.607 4.305 1.00 0.00 H new ATOM 1116 N ASN A 73 -13.573 -15.218 1.317 1.00 0.00 N ATOM 1117 CA ASN A 73 -14.875 -14.909 0.738 1.00 0.00 C ATOM 1118 C ASN A 73 -14.720 -14.303 -0.654 1.00 0.00 C ATOM 1119 O ASN A 73 -15.653 -13.704 -1.188 1.00 0.00 O ATOM 1120 CB ASN A 73 -15.644 -13.946 1.644 1.00 0.00 C ATOM 1121 CG ASN A 73 -16.226 -14.638 2.861 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -17.280 -15.270 2.785 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -15.541 -14.521 3.992 1.00 0.00 N ATOM 0 H ASN A 73 -13.215 -14.506 1.954 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.436 -15.839 0.650 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.978 -13.146 1.968 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.448 -13.480 1.075 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.884 -14.965 4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.672 -13.987 4.009 1.00 0.00 H new ATOM 1130 N ASN A 74 -13.536 -14.463 -1.235 1.00 0.00 N ATOM 1131 CA ASN A 74 -13.259 -13.931 -2.565 1.00 0.00 C ATOM 1132 C ASN A 74 -13.247 -12.406 -2.549 1.00 0.00 C ATOM 1133 O ASN A 74 -13.641 -11.763 -3.521 1.00 0.00 O ATOM 1134 CB ASN A 74 -14.302 -14.434 -3.565 1.00 0.00 C ATOM 1135 CG ASN A 74 -14.713 -15.869 -3.300 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -13.869 -16.760 -3.202 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -16.015 -16.100 -3.182 1.00 0.00 N ATOM 0 H ASN A 74 -12.753 -14.956 -0.806 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.273 -14.281 -2.871 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.182 -13.793 -3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.900 -14.355 -4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.351 -17.046 -3.003 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.679 -15.331 -3.270 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.792 -11.834 -1.438 1.00 0.00 N ATOM 1145 CA GLN A 75 -12.729 -10.385 -1.296 1.00 0.00 C ATOM 1146 C GLN A 75 -11.454 -9.963 -0.573 1.00 0.00 C ATOM 1147 O GLN A 75 -10.696 -10.804 -0.089 1.00 0.00 O ATOM 1148 CB GLN A 75 -13.954 -9.872 -0.536 1.00 0.00 C ATOM 1149 CG GLN A 75 -15.263 -10.084 -1.278 1.00 0.00 C ATOM 1150 CD GLN A 75 -15.600 -8.934 -2.207 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -14.781 -8.526 -3.031 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -16.811 -8.405 -2.079 1.00 0.00 N ATOM 0 H GLN A 75 -12.462 -12.352 -0.624 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.720 -9.948 -2.294 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.008 -10.374 0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.828 -8.808 -0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.204 -11.007 -1.855 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -16.069 -10.211 -0.556 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -17.458 -8.775 -1.382 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.094 -7.629 -2.677 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.223 -8.657 -0.504 1.00 0.00 N ATOM 1162 CA PHE A 76 -10.039 -8.123 0.158 1.00 0.00 C ATOM 1163 C PHE A 76 -10.424 -7.086 1.209 1.00 0.00 C ATOM 1164 O PHE A 76 -11.055 -6.077 0.898 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.092 -7.499 -0.868 1.00 0.00 C ATOM 1166 CG PHE A 76 -8.342 -8.511 -1.686 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -9.015 -9.360 -2.549 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -6.963 -8.613 -1.592 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -8.327 -10.293 -3.301 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -6.270 -9.543 -2.342 1.00 0.00 C ATOM 1171 CZ PHE A 76 -6.953 -10.384 -3.199 1.00 0.00 C ATOM 0 H PHE A 76 -11.841 -7.948 -0.899 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.530 -8.948 0.657 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.666 -6.857 -1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.377 -6.861 -0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.089 -9.292 -2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.424 -7.957 -0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.864 -10.951 -3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.195 -9.613 -2.259 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.414 -11.111 -3.788 1.00 0.00 H new ATOM 1181 N MET A 77 -10.040 -7.344 2.455 1.00 0.00 N ATOM 1182 CA MET A 77 -10.344 -6.433 3.552 1.00 0.00 C ATOM 1183 C MET A 77 -9.386 -5.246 3.555 1.00 0.00 C ATOM 1184 O MET A 77 -8.197 -5.396 3.276 1.00 0.00 O ATOM 1185 CB MET A 77 -10.267 -7.169 4.891 1.00 0.00 C ATOM 1186 CG MET A 77 -11.554 -7.886 5.266 1.00 0.00 C ATOM 1187 SD MET A 77 -11.320 -9.085 6.592 1.00 0.00 S ATOM 1188 CE MET A 77 -11.044 -7.996 7.988 1.00 0.00 C ATOM 0 H MET A 77 -9.518 -8.176 2.730 1.00 0.00 H new ATOM 0 HA MET A 77 -11.358 -6.058 3.409 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.455 -7.895 4.851 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.017 -6.454 5.675 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.298 -7.151 5.573 1.00 0.00 H new ATOM 0 HG3 MET A 77 -11.951 -8.395 4.388 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.076 -8.218 8.437 1.00 0.00 H new ATOM 0 HE2 MET A 77 -11.058 -6.960 7.650 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.830 -8.147 8.728 1.00 0.00 H new ATOM 1198 N MET A 78 -9.912 -4.067 3.872 1.00 0.00 N ATOM 1199 CA MET A 78 -9.102 -2.855 3.911 1.00 0.00 C ATOM 1200 C MET A 78 -9.050 -2.282 5.324 1.00 0.00 C ATOM 1201 O MET A 78 -8.731 -1.110 5.517 1.00 0.00 O ATOM 1202 CB MET A 78 -9.661 -1.810 2.944 1.00 0.00 C ATOM 1203 CG MET A 78 -8.598 -0.899 2.352 1.00 0.00 C ATOM 1204 SD MET A 78 -8.333 0.589 3.335 1.00 0.00 S ATOM 1205 CE MET A 78 -7.817 1.744 2.067 1.00 0.00 C ATOM 0 H MET A 78 -10.895 -3.925 4.105 1.00 0.00 H new ATOM 0 HA MET A 78 -8.089 -3.115 3.606 1.00 0.00 H new ATOM 0 HB2 MET A 78 -10.183 -2.319 2.134 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.399 -1.202 3.467 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.660 -1.447 2.270 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.890 -0.615 1.341 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.239 2.727 2.277 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.729 1.810 2.056 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.169 1.398 1.095 1.00 0.00 H new ATOM 1215 N GLY A 79 -9.366 -3.117 6.309 1.00 0.00 N ATOM 1216 CA GLY A 79 -9.350 -2.674 7.691 1.00 0.00 C ATOM 1217 C GLY A 79 -10.520 -3.217 8.488 1.00 0.00 C ATOM 1218 O GLY A 79 -10.618 -2.990 9.693 1.00 0.00 O ATOM 0 H GLY A 79 -9.633 -4.092 6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.418 -2.989 8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.369 -1.585 7.720 1.00 0.00 H new ATOM 1222 N GLY A 80 -11.412 -3.935 7.812 1.00 0.00 N ATOM 1223 CA GLY A 80 -12.571 -4.498 8.480 1.00 0.00 C ATOM 1224 C GLY A 80 -13.761 -4.643 7.553 1.00 0.00 C ATOM 1225 O GLY A 80 -14.718 -5.351 7.868 1.00 0.00 O ATOM 0 H GLY A 80 -11.353 -4.137 6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.312 -5.475 8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.846 -3.862 9.322 1.00 0.00 H new ATOM 1229 N ARG A 81 -13.703 -3.971 6.408 1.00 0.00 N ATOM 1230 CA ARG A 81 -14.786 -4.027 5.434 1.00 0.00 C ATOM 1231 C ARG A 81 -14.349 -4.774 4.177 1.00 0.00 C ATOM 1232 O ARG A 81 -13.170 -4.782 3.825 1.00 0.00 O ATOM 1233 CB ARG A 81 -15.243 -2.614 5.066 1.00 0.00 C ATOM 1234 CG ARG A 81 -15.555 -1.742 6.272 1.00 0.00 C ATOM 1235 CD ARG A 81 -17.003 -1.897 6.711 1.00 0.00 C ATOM 1236 NE ARG A 81 -17.163 -2.954 7.706 1.00 0.00 N ATOM 1237 CZ ARG A 81 -18.312 -3.220 8.317 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -19.396 -2.510 8.036 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -18.378 -4.198 9.211 1.00 0.00 N ATOM 0 H ARG A 81 -12.918 -3.382 6.132 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.619 -4.566 5.886 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.466 -2.133 4.472 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -16.131 -2.680 4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.893 -2.008 7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.357 -0.698 6.029 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.360 -0.953 7.124 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.623 -2.120 5.843 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.348 -3.519 7.945 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -19.349 -1.757 7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.277 -2.716 8.507 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.546 -4.746 9.430 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.261 -4.402 9.680 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.308 -5.403 3.506 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.022 -6.156 2.291 1.00 0.00 C ATOM 1255 C TYR A 82 -15.258 -5.299 1.051 1.00 0.00 C ATOM 1256 O TYR A 82 -16.213 -4.524 0.989 1.00 0.00 O ATOM 1257 CB TYR A 82 -15.892 -7.413 2.228 1.00 0.00 C ATOM 1258 CG TYR A 82 -15.900 -8.208 3.514 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -14.714 -8.636 4.096 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.094 -8.532 4.146 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -14.716 -9.364 5.271 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.106 -9.258 5.321 1.00 0.00 C ATOM 1263 CZ TYR A 82 -15.914 -9.672 5.880 1.00 0.00 C ATOM 1264 OH TYR A 82 -15.922 -10.396 7.049 1.00 0.00 O ATOM 0 H TYR A 82 -16.290 -5.406 3.783 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.972 -6.449 2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -16.914 -7.125 1.982 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.537 -8.051 1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.774 -8.396 3.622 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.029 -8.211 3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.784 -9.690 5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.043 -9.500 5.800 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.847 -10.526 7.347 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.380 -5.444 0.064 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.489 -4.683 -1.174 1.00 0.00 C ATOM 1276 C TYR A 83 -14.309 -5.589 -2.388 1.00 0.00 C ATOM 1277 O TYR A 83 -13.445 -6.465 -2.400 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.449 -3.562 -1.202 1.00 0.00 C ATOM 1279 CG TYR A 83 -13.831 -2.360 -0.368 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -14.570 -1.318 -0.913 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -13.454 -2.268 0.966 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -14.921 -0.218 -0.155 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -13.801 -1.172 1.732 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.534 -0.149 1.167 1.00 0.00 C ATOM 1285 OH TYR A 83 -14.883 0.944 1.927 1.00 0.00 O ATOM 0 H TYR A 83 -13.585 -6.082 0.098 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.486 -4.245 -1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.496 -3.953 -0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.297 -3.244 -2.234 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -14.876 -1.369 -1.948 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -12.880 -3.067 1.412 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -15.495 0.584 -0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -13.500 -1.116 2.768 1.00 0.00 H new ATOM 0 HH TYR A 83 -14.534 0.835 2.836 1.00 0.00 H new ATOM 1295 N ASN A 84 -15.132 -5.370 -3.409 1.00 0.00 N ATOM 1296 CA ASN A 84 -15.065 -6.167 -4.629 1.00 0.00 C ATOM 1297 C ASN A 84 -13.625 -6.562 -4.942 1.00 0.00 C ATOM 1298 O ASN A 84 -13.304 -7.745 -5.047 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.660 -5.388 -5.804 1.00 0.00 C ATOM 1300 CG ASN A 84 -15.446 -6.091 -7.131 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -15.250 -7.305 -7.178 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -15.483 -5.328 -8.217 1.00 0.00 N ATOM 0 H ASN A 84 -15.852 -4.648 -3.416 1.00 0.00 H new ATOM 0 HA ASN A 84 -15.646 -7.076 -4.473 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.728 -5.246 -5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.209 -4.396 -5.844 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -15.346 -5.745 -9.138 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -15.649 -4.325 -8.130 1.00 0.00 H new ATOM 1309 N SER A 85 -12.762 -5.562 -5.090 1.00 0.00 N ATOM 1310 CA SER A 85 -11.357 -5.804 -5.395 1.00 0.00 C ATOM 1311 C SER A 85 -10.542 -4.522 -5.256 1.00 0.00 C ATOM 1312 O SER A 85 -11.096 -3.423 -5.211 1.00 0.00 O ATOM 1313 CB SER A 85 -11.209 -6.365 -6.810 1.00 0.00 C ATOM 1314 OG SER A 85 -11.532 -7.744 -6.849 1.00 0.00 O ATOM 0 H SER A 85 -13.011 -4.577 -5.004 1.00 0.00 H new ATOM 0 HA SER A 85 -10.977 -6.535 -4.681 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.859 -5.817 -7.492 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.186 -6.218 -7.158 1.00 0.00 H new ATOM 0 HG SER A 85 -11.927 -8.012 -5.993 1.00 0.00 H new ATOM 1320 N ILE A 86 -9.223 -4.671 -5.187 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.331 -3.526 -5.054 1.00 0.00 C ATOM 1322 C ILE A 86 -8.726 -2.408 -6.013 1.00 0.00 C ATOM 1323 O ILE A 86 -8.889 -1.257 -5.609 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.866 -3.920 -5.318 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.435 -5.034 -4.362 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -5.957 -2.708 -5.173 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -5.004 -5.481 -4.563 1.00 0.00 C ATOM 0 H ILE A 86 -8.749 -5.573 -5.221 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.424 -3.171 -4.028 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.783 -4.291 -6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.559 -4.689 -3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.097 -5.890 -4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.925 -3.003 -5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.254 -1.943 -5.890 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.041 -2.309 -4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.767 -6.272 -3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.879 -5.856 -5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.333 -4.637 -4.403 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.880 -2.755 -7.288 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.256 -1.770 -8.284 1.00 0.00 C ATOM 1341 C GLY A 87 -10.491 -0.985 -7.887 1.00 0.00 C ATOM 1342 O GLY A 87 -10.558 0.227 -8.095 1.00 0.00 O ATOM 0 H GLY A 87 -8.751 -3.701 -7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.426 -1.081 -8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.438 -2.271 -9.235 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.471 -1.676 -7.316 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.710 -1.036 -6.889 1.00 0.00 C ATOM 1348 C ASP A 88 -12.455 -0.080 -5.728 1.00 0.00 C ATOM 1349 O ASP A 88 -12.829 1.092 -5.783 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.739 -2.091 -6.481 1.00 0.00 C ATOM 1351 CG ASP A 88 -15.071 -1.480 -6.093 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -15.155 -0.887 -4.998 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -16.031 -1.597 -6.884 1.00 0.00 O ATOM 0 H ASP A 88 -11.432 -2.680 -7.138 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.103 -0.463 -7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.888 -2.787 -7.306 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.350 -2.669 -5.643 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.819 -0.588 -4.678 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.515 0.221 -3.504 1.00 0.00 C ATOM 1360 C ILE A 89 -11.064 1.621 -3.904 1.00 0.00 C ATOM 1361 O ILE A 89 -11.345 2.597 -3.207 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.421 -0.431 -2.639 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.833 -1.850 -2.239 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -10.148 0.415 -1.404 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.889 -2.498 -1.251 1.00 0.00 C ATOM 0 H ILE A 89 -11.504 -1.556 -4.616 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.434 0.290 -2.922 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.504 -0.491 -3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.834 -1.821 -1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.890 -2.469 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.372 -0.059 -0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.815 1.407 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.061 0.504 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.243 -3.501 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.892 -2.559 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.850 -1.901 -0.340 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.366 1.713 -5.030 1.00 0.00 N ATOM 1378 CA ILE A 90 -9.879 2.995 -5.524 1.00 0.00 C ATOM 1379 C ILE A 90 -11.013 3.821 -6.121 1.00 0.00 C ATOM 1380 O ILE A 90 -11.146 5.011 -5.835 1.00 0.00 O ATOM 1381 CB ILE A 90 -8.781 2.808 -6.588 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.555 2.131 -5.972 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.401 4.149 -7.198 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -6.715 1.374 -6.977 1.00 0.00 C ATOM 0 H ILE A 90 -10.125 0.915 -5.618 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.459 3.524 -4.668 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.168 2.167 -7.380 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.936 2.888 -5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.883 1.443 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.624 4.000 -7.948 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.277 4.597 -7.667 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.029 4.812 -6.417 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.863 0.920 -6.471 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.319 0.595 -7.442 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.357 2.061 -7.743 1.00 0.00 H new ATOM 1396 N ASP A 91 -11.831 3.182 -6.950 1.00 0.00 N ATOM 1397 CA ASP A 91 -12.957 3.856 -7.586 1.00 0.00 C ATOM 1398 C ASP A 91 -13.955 4.348 -6.542 1.00 0.00 C ATOM 1399 O ASP A 91 -14.532 5.427 -6.680 1.00 0.00 O ATOM 1400 CB ASP A 91 -13.652 2.916 -8.571 1.00 0.00 C ATOM 1401 CG ASP A 91 -14.786 3.593 -9.316 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -14.539 4.644 -9.944 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -15.920 3.072 -9.270 1.00 0.00 O ATOM 0 H ASP A 91 -11.735 2.197 -7.198 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.572 4.719 -8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.922 2.542 -9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.040 2.052 -8.032 1.00 0.00 H new ATOM 1408 N HIS A 92 -14.155 3.548 -5.499 1.00 0.00 N ATOM 1409 CA HIS A 92 -15.084 3.902 -4.432 1.00 0.00 C ATOM 1410 C HIS A 92 -14.574 5.104 -3.644 1.00 0.00 C ATOM 1411 O HIS A 92 -15.359 5.926 -3.170 1.00 0.00 O ATOM 1412 CB HIS A 92 -15.292 2.713 -3.494 1.00 0.00 C ATOM 1413 CG HIS A 92 -16.643 2.689 -2.847 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -17.079 3.667 -1.978 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -17.658 1.799 -2.948 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -18.302 3.379 -1.571 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -18.677 2.250 -2.146 1.00 0.00 N ATOM 0 H HIS A 92 -13.687 2.651 -5.370 1.00 0.00 H new ATOM 0 HA HIS A 92 -16.038 4.167 -4.887 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.151 1.789 -4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -14.527 2.735 -2.718 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -16.541 4.485 -1.694 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -17.665 0.901 -3.548 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -18.895 3.966 -0.885 1.00 0.00 H new ATOM 1425 N TYR A 93 -13.256 5.200 -3.507 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.642 6.300 -2.773 1.00 0.00 C ATOM 1427 C TYR A 93 -12.698 7.592 -3.582 1.00 0.00 C ATOM 1428 O TYR A 93 -12.736 8.687 -3.020 1.00 0.00 O ATOM 1429 CB TYR A 93 -11.190 5.963 -2.429 1.00 0.00 C ATOM 1430 CG TYR A 93 -11.032 5.249 -1.105 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.687 5.701 0.034 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -10.228 4.121 -0.994 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.544 5.053 1.245 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -10.080 3.466 0.213 1.00 0.00 C ATOM 1435 CZ TYR A 93 -10.740 3.935 1.330 1.00 0.00 C ATOM 1436 OH TYR A 93 -10.597 3.286 2.534 1.00 0.00 O ATOM 0 H TYR A 93 -12.592 4.529 -3.895 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.203 6.446 -1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.773 5.340 -3.220 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.607 6.884 -2.408 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.319 6.574 -0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.710 3.750 -1.866 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.059 5.419 2.121 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.451 2.591 0.282 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.437 2.332 2.375 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.703 7.456 -4.903 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.754 8.612 -5.791 1.00 0.00 C ATOM 1448 C ARG A 94 -13.942 9.507 -5.450 1.00 0.00 C ATOM 1449 O ARG A 94 -13.916 10.712 -5.698 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.844 8.158 -7.249 1.00 0.00 C ATOM 1451 CG ARG A 94 -11.532 7.631 -7.805 1.00 0.00 C ATOM 1452 CD ARG A 94 -11.658 7.262 -9.275 1.00 0.00 C ATOM 1453 NE ARG A 94 -11.908 8.431 -10.114 1.00 0.00 N ATOM 1454 CZ ARG A 94 -10.981 9.335 -10.409 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -9.749 9.205 -9.937 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -11.286 10.372 -11.179 1.00 0.00 N ATOM 0 H ARG A 94 -12.672 6.557 -5.383 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.838 9.186 -5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.603 7.380 -7.332 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.178 8.996 -7.861 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.755 8.386 -7.683 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.219 6.756 -7.235 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.744 6.768 -9.604 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.470 6.546 -9.400 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.846 8.560 -10.494 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.511 8.409 -9.345 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.039 9.901 -10.165 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.233 10.475 -11.544 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.574 11.066 -11.405 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.983 8.908 -4.882 1.00 0.00 N ATOM 1471 CA LYS A 95 -16.181 9.649 -4.506 1.00 0.00 C ATOM 1472 C LYS A 95 -16.255 9.834 -2.994 1.00 0.00 C ATOM 1473 O LYS A 95 -17.021 10.659 -2.498 1.00 0.00 O ATOM 1474 CB LYS A 95 -17.432 8.922 -5.004 1.00 0.00 C ATOM 1475 CG LYS A 95 -17.465 8.728 -6.510 1.00 0.00 C ATOM 1476 CD LYS A 95 -16.725 7.468 -6.926 1.00 0.00 C ATOM 1477 CE LYS A 95 -17.191 6.972 -8.286 1.00 0.00 C ATOM 1478 NZ LYS A 95 -18.577 6.428 -8.233 1.00 0.00 N ATOM 0 H LYS A 95 -15.021 7.911 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 95 -16.130 10.633 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.493 7.948 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -18.314 9.485 -4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -18.500 8.672 -6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.017 9.593 -6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.654 7.667 -6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -16.882 6.689 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -17.149 7.790 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -16.511 6.199 -8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -18.738 5.808 -9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -18.703 5.883 -7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -19.259 7.213 -8.254 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.453 9.062 -2.268 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.428 9.142 -0.812 1.00 0.00 C ATOM 1494 C GLU A 96 -14.010 9.385 -0.305 1.00 0.00 C ATOM 1495 O GLU A 96 -13.106 8.588 -0.555 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.988 7.857 -0.199 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.504 7.775 -0.237 1.00 0.00 C ATOM 1498 CD GLU A 96 -18.155 8.442 0.960 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -17.546 9.375 1.523 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -19.274 8.030 1.332 1.00 0.00 O ATOM 0 H GLU A 96 -14.812 8.374 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 96 -16.052 9.982 -0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.573 7.000 -0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.654 7.783 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.867 8.244 -1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.807 6.729 -0.274 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.824 10.491 0.408 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.516 10.840 0.950 1.00 0.00 C ATOM 1509 C GLN A 97 -11.908 9.663 1.705 1.00 0.00 C ATOM 1510 O GLN A 97 -12.426 9.243 2.741 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.630 12.052 1.876 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.084 13.318 1.168 1.00 0.00 C ATOM 1513 CD GLN A 97 -13.140 14.517 2.095 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -13.779 14.474 3.146 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -12.469 15.595 1.708 1.00 0.00 N ATOM 0 H GLN A 97 -14.562 11.161 0.624 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.861 11.090 0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.332 11.822 2.677 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.662 12.234 2.343 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.404 13.532 0.344 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.070 13.153 0.733 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.953 15.586 0.828 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.470 16.432 2.290 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.807 9.134 1.181 1.00 0.00 N ATOM 1525 CA ILE A 98 -10.129 8.006 1.807 1.00 0.00 C ATOM 1526 C ILE A 98 -9.508 8.409 3.140 1.00 0.00 C ATOM 1527 O ILE A 98 -9.297 7.571 4.018 1.00 0.00 O ATOM 1528 CB ILE A 98 -9.029 7.433 0.894 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -8.231 6.357 1.633 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -8.110 8.544 0.411 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.271 5.599 0.744 1.00 0.00 C ATOM 0 H ILE A 98 -10.366 9.469 0.324 1.00 0.00 H new ATOM 0 HA ILE A 98 -10.885 7.239 1.978 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.501 6.975 0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.671 6.824 2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.925 5.651 2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.338 8.123 -0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.690 9.278 -0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.643 9.028 1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.740 4.853 1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.827 5.103 -0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.554 6.294 0.307 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.219 9.698 3.287 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.625 10.214 4.515 1.00 0.00 C ATOM 1545 C VAL A 99 -9.575 11.171 5.225 1.00 0.00 C ATOM 1546 O VAL A 99 -10.707 11.375 4.788 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.297 10.941 4.233 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.363 10.829 5.428 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.640 10.384 2.979 1.00 0.00 C ATOM 0 H VAL A 99 -9.387 10.405 2.571 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.431 9.356 5.158 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.510 11.997 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.430 11.349 5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.834 11.280 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.155 9.778 5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.703 10.909 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.439 9.321 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.306 10.522 2.127 1.00 0.00 H new ATOM 1559 N GLU A 100 -9.106 11.756 6.323 1.00 0.00 N ATOM 1560 CA GLU A 100 -9.915 12.692 7.094 1.00 0.00 C ATOM 1561 C GLU A 100 -10.472 13.796 6.200 1.00 0.00 C ATOM 1562 O GLU A 100 -11.451 14.455 6.545 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.086 13.306 8.225 1.00 0.00 C ATOM 1564 CG GLU A 100 -7.955 14.194 7.736 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.133 14.770 8.873 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -7.734 15.263 9.850 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -5.888 14.727 8.785 1.00 0.00 O ATOM 0 H GLU A 100 -8.171 11.598 6.698 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.751 12.140 7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.743 13.890 8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.670 12.505 8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.305 13.618 7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.369 15.009 7.142 1.00 0.00 H new ATOM 1574 N GLY A 101 -9.838 13.991 5.047 1.00 0.00 N ATOM 1575 CA GLY A 101 -10.283 15.016 4.121 1.00 0.00 C ATOM 1576 C GLY A 101 -9.409 15.098 2.884 1.00 0.00 C ATOM 1577 O GLY A 101 -8.929 16.174 2.526 1.00 0.00 O ATOM 0 H GLY A 101 -9.025 13.458 4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.311 14.811 3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.284 15.982 4.626 1.00 0.00 H new ATOM 1581 N TYR A 102 -9.201 13.960 2.232 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.376 13.907 1.031 1.00 0.00 C ATOM 1583 C TYR A 102 -8.950 12.921 0.019 1.00 0.00 C ATOM 1584 O TYR A 102 -9.465 11.864 0.387 1.00 0.00 O ATOM 1585 CB TYR A 102 -6.943 13.511 1.389 1.00 0.00 C ATOM 1586 CG TYR A 102 -6.119 14.653 1.941 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -6.153 14.969 3.293 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -5.306 15.414 1.110 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.403 16.012 3.802 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.552 16.458 1.610 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.603 16.753 2.956 1.00 0.00 C ATOM 1592 OH TYR A 102 -3.854 17.791 3.459 1.00 0.00 O ATOM 0 H TYR A 102 -9.592 13.062 2.515 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.370 14.900 0.581 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.970 12.706 2.123 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.451 13.116 0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.776 14.390 3.958 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.263 15.185 0.055 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.443 16.246 4.856 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.926 17.040 0.950 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.611 17.599 4.389 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.857 13.273 -1.259 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.368 12.421 -2.326 1.00 0.00 C ATOM 1604 C TYR A 103 -8.225 11.808 -3.128 1.00 0.00 C ATOM 1605 O TYR A 103 -7.069 12.210 -2.991 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.284 13.223 -3.252 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.664 13.462 -2.681 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -12.622 12.456 -2.683 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -12.008 14.694 -2.139 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -13.884 12.671 -2.163 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.267 14.917 -1.616 1.00 0.00 C ATOM 1612 CZ TYR A 103 -14.202 13.903 -1.631 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.457 14.120 -1.110 1.00 0.00 O ATOM 0 H TYR A 103 -8.432 14.143 -1.581 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.941 11.614 -1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -9.818 14.184 -3.467 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.379 12.695 -4.201 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -12.376 11.490 -3.098 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -11.279 15.491 -2.126 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.618 11.878 -2.173 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -13.518 15.880 -1.197 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.518 15.039 -0.775 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.556 10.832 -3.967 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.558 10.162 -4.794 1.00 0.00 C ATOM 1625 C LEU A 104 -7.462 10.817 -6.168 1.00 0.00 C ATOM 1626 O LEU A 104 -8.280 10.556 -7.051 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.905 8.680 -4.945 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.788 7.831 -3.679 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -8.260 6.409 -3.944 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.355 7.832 -3.167 1.00 0.00 C ATOM 0 H LEU A 104 -9.508 10.487 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.591 10.254 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.927 8.603 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.255 8.251 -5.707 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.428 8.267 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.169 5.820 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.302 6.425 -4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.647 5.962 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.290 7.223 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.695 7.421 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.051 8.853 -2.937 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.456 11.667 -6.344 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.249 12.356 -7.611 1.00 0.00 C ATOM 1644 C LYS A 105 -5.723 11.396 -8.674 1.00 0.00 C ATOM 1645 O LYS A 105 -6.404 11.115 -9.659 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.269 13.518 -7.429 1.00 0.00 C ATOM 1647 CG LYS A 105 -5.905 14.761 -6.831 1.00 0.00 C ATOM 1648 CD LYS A 105 -6.771 15.489 -7.846 1.00 0.00 C ATOM 1649 CE LYS A 105 -7.118 16.894 -7.377 1.00 0.00 C ATOM 1650 NZ LYS A 105 -8.176 16.883 -6.329 1.00 0.00 N ATOM 0 H LYS A 105 -5.771 11.895 -5.624 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.210 12.747 -7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.450 13.194 -6.787 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.835 13.771 -8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.511 14.482 -5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.125 15.431 -6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -6.248 15.542 -8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.688 14.924 -8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.223 17.377 -6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.455 17.488 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.384 17.859 -6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.038 16.445 -6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.845 16.338 -5.507 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.509 10.897 -8.465 1.00 0.00 N ATOM 1665 CA GLU A 106 -3.894 9.968 -9.405 1.00 0.00 C ATOM 1666 C GLU A 106 -2.792 9.158 -8.728 1.00 0.00 C ATOM 1667 O GLU A 106 -2.061 9.653 -7.870 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.321 10.726 -10.605 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.144 11.620 -10.253 1.00 0.00 C ATOM 1670 CD GLU A 106 -1.355 12.052 -11.474 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -1.972 12.576 -12.425 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -0.120 11.866 -11.478 1.00 0.00 O ATOM 0 H GLU A 106 -3.932 11.120 -7.654 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.665 9.280 -9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.007 10.007 -11.362 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.109 11.334 -11.050 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.508 12.504 -9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.483 11.091 -9.566 1.00 0.00 H new ATOM 1679 N PRO A 107 -2.669 7.882 -9.122 1.00 0.00 N ATOM 1680 CA PRO A 107 -1.660 6.975 -8.566 1.00 0.00 C ATOM 1681 C PRO A 107 -0.245 7.347 -8.999 1.00 0.00 C ATOM 1682 O PRO A 107 -0.052 8.245 -9.819 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.053 5.612 -9.139 1.00 0.00 C ATOM 1684 CG PRO A 107 -2.790 5.927 -10.395 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.506 7.225 -10.140 1.00 0.00 C ATOM 0 HA PRO A 107 -1.641 7.005 -7.477 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.175 4.998 -9.339 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -2.679 5.055 -8.442 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.104 6.018 -11.237 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.496 5.134 -10.643 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.583 7.826 -11.046 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.521 7.060 -9.780 1.00 0.00 H new ATOM 1693 N VAL A 108 0.741 6.652 -8.443 1.00 0.00 N ATOM 1694 CA VAL A 108 2.138 6.908 -8.773 1.00 0.00 C ATOM 1695 C VAL A 108 2.547 6.171 -10.043 1.00 0.00 C ATOM 1696 O VAL A 108 2.258 4.988 -10.224 1.00 0.00 O ATOM 1697 CB VAL A 108 3.073 6.486 -7.624 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.528 6.570 -8.060 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.826 7.345 -6.393 1.00 0.00 C ATOM 0 H VAL A 108 0.599 5.907 -7.761 1.00 0.00 H new ATOM 0 HA VAL A 108 2.233 7.982 -8.933 1.00 0.00 H new ATOM 0 HB VAL A 108 2.856 5.450 -7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.173 6.268 -7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.692 5.908 -8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.763 7.595 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.495 7.033 -5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.014 8.391 -6.636 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.792 7.228 -6.069 1.00 0.00 H new ATOM 1709 N PRO A 109 3.236 6.885 -10.945 1.00 0.00 N ATOM 1710 CA PRO A 109 3.701 6.319 -12.215 1.00 0.00 C ATOM 1711 C PRO A 109 4.819 5.301 -12.021 1.00 0.00 C ATOM 1712 O PRO A 109 5.470 5.271 -10.977 1.00 0.00 O ATOM 1713 CB PRO A 109 4.216 7.540 -12.981 1.00 0.00 C ATOM 1714 CG PRO A 109 4.585 8.522 -11.923 1.00 0.00 C ATOM 1715 CD PRO A 109 3.615 8.300 -10.795 1.00 0.00 C ATOM 0 HA PRO A 109 2.910 5.777 -12.733 1.00 0.00 H new ATOM 0 HB2 PRO A 109 5.075 7.285 -13.601 1.00 0.00 H new ATOM 0 HB3 PRO A 109 3.451 7.942 -13.645 1.00 0.00 H new ATOM 0 HG2 PRO A 109 5.612 8.370 -11.590 1.00 0.00 H new ATOM 0 HG3 PRO A 109 4.520 9.543 -12.299 1.00 0.00 H new ATOM 0 HD2 PRO A 109 4.075 8.492 -9.826 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.750 8.958 -10.873 1.00 0.00 H new ATOM 1723 N MET A 110 5.038 4.468 -13.033 1.00 0.00 N ATOM 1724 CA MET A 110 6.080 3.450 -12.973 1.00 0.00 C ATOM 1725 C MET A 110 7.446 4.051 -13.288 1.00 0.00 C ATOM 1726 O MET A 110 7.564 5.251 -13.532 1.00 0.00 O ATOM 1727 CB MET A 110 5.771 2.316 -13.953 1.00 0.00 C ATOM 1728 CG MET A 110 4.440 1.631 -13.689 1.00 0.00 C ATOM 1729 SD MET A 110 4.150 0.231 -14.789 1.00 0.00 S ATOM 1730 CE MET A 110 4.978 0.790 -16.275 1.00 0.00 C ATOM 0 H MET A 110 4.508 4.478 -13.904 1.00 0.00 H new ATOM 0 HA MET A 110 6.104 3.049 -11.960 1.00 0.00 H new ATOM 0 HB2 MET A 110 5.771 2.714 -14.968 1.00 0.00 H new ATOM 0 HB3 MET A 110 6.568 1.575 -13.901 1.00 0.00 H new ATOM 0 HG2 MET A 110 4.411 1.288 -12.655 1.00 0.00 H new ATOM 0 HG3 MET A 110 3.633 2.355 -13.807 1.00 0.00 H new ATOM 0 HE1 MET A 110 4.697 0.150 -17.111 1.00 0.00 H new ATOM 0 HE2 MET A 110 4.685 1.818 -16.490 1.00 0.00 H new ATOM 0 HE3 MET A 110 6.057 0.743 -16.130 1.00 0.00 H new