USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=23 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= -2.82! C(o=-4.3!,f=-8.1!) USER MOD Set 1.2: A 102 TYR OH : rot 180:sc= -1.43! USER MOD Set 2.1: A 78 MET CE :methyl 164:sc= -0.421 (180deg=-1.01) USER MOD Set 2.2: A 93 TYR OH : rot -177:sc= 0.179 USER MOD Set 3.1: A 71 THR OG1 : rot -7:sc= -1.86! USER MOD Set 3.2: A 73 ASN : amide:sc= -0.82 K(o=-2.7,f=-4.6!) 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) USER MOD Single : A 22 LYS NZ :NH3+ -134:sc= -0.483 (180deg=-2.02!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 150:sc= -0.0346 USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 33 MET CE :methyl -162:sc= -0.0742 (180deg=-0.561) USER MOD Single : A 34 THR OG1 : rot -72:sc= 0.807 USER MOD Single : A 37 GLN : amide:sc=-0.00899 K(o=-0.009,f=-0.84) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -28:sc= -0.733 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 -80:sc= 0.968 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -21:sc= 1.07 USER MOD Single : A 62 ASN : amide:sc= 0.609 K(o=0.61,f=-4.7!) USER MOD Single : A 64 GLN : amide:sc= -0.96 X(o=-0.96,f=-1.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -53:sc= -1.32 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 77 MET CE :methyl 170:sc= -0.0216 (180deg=-0.222) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.0531 USER MOD Single : A 84 ASN : amide:sc= -0.842 K(o=-0.84,f=-0.069) USER MOD Single : A 85 SER OG : rot 28:sc= 1.23 USER MOD Single : A 92 HIS : no HD1:sc= -0.842 X(o=-0.84,f=-0.87) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -5.1! C(o=-5.1!,f=-3.6!) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.0176 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl -154:sc= -0.148 (180deg=-0.746) USER MOD ----------------------------------------------------------------- ATOM 185 N LYS A 16 -1.047 -3.035 -13.530 1.00 0.00 N ATOM 186 CA LYS A 16 -1.742 -1.826 -13.103 1.00 0.00 C ATOM 187 C LYS A 16 -0.753 -0.698 -12.828 1.00 0.00 C ATOM 188 O LYS A 16 0.345 -0.933 -12.321 1.00 0.00 O ATOM 189 CB LYS A 16 -2.574 -2.107 -11.850 1.00 0.00 C ATOM 190 CG LYS A 16 -3.605 -3.206 -12.038 1.00 0.00 C ATOM 191 CD LYS A 16 -4.780 -2.730 -12.877 1.00 0.00 C ATOM 192 CE LYS A 16 -6.021 -3.573 -12.628 1.00 0.00 C ATOM 193 NZ LYS A 16 -7.271 -2.826 -12.939 1.00 0.00 N ATOM 0 HA LYS A 16 -2.406 -1.514 -13.910 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.905 -2.383 -11.035 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.082 -1.191 -11.549 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.138 -4.066 -12.518 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.963 -3.540 -11.064 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.995 -1.687 -12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.515 -2.774 -13.933 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.976 -4.475 -13.238 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.039 -3.894 -11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.094 -3.435 -12.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.327 -1.979 -12.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.266 -2.542 -13.939 1.00 0.00 H new ATOM 207 N ILE A 17 -1.149 0.525 -13.162 1.00 0.00 N ATOM 208 CA ILE A 17 -0.298 1.689 -12.947 1.00 0.00 C ATOM 209 C ILE A 17 -0.143 1.990 -11.460 1.00 0.00 C ATOM 210 O ILE A 17 0.886 2.507 -11.026 1.00 0.00 O ATOM 211 CB ILE A 17 -0.859 2.936 -13.656 1.00 0.00 C ATOM 212 CG1 ILE A 17 0.096 4.119 -13.487 1.00 0.00 C ATOM 213 CG2 ILE A 17 -2.238 3.279 -13.112 1.00 0.00 C ATOM 214 CD1 ILE A 17 -0.233 5.294 -14.380 1.00 0.00 C ATOM 0 H ILE A 17 -2.054 0.736 -13.583 1.00 0.00 H new ATOM 0 HA ILE A 17 0.677 1.449 -13.370 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.953 2.719 -14.720 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.075 4.446 -12.447 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.113 3.787 -13.697 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.621 4.162 -13.623 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.914 2.441 -13.280 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.168 3.480 -12.043 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.485 6.095 -14.206 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.184 4.983 -15.423 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.238 5.652 -14.155 1.00 0.00 H new ATOM 226 N TRP A 18 -1.170 1.661 -10.686 1.00 0.00 N ATOM 227 CA TRP A 18 -1.147 1.894 -9.246 1.00 0.00 C ATOM 228 C TRP A 18 -0.386 0.786 -8.527 1.00 0.00 C ATOM 229 O TRP A 18 0.193 1.007 -7.463 1.00 0.00 O ATOM 230 CB TRP A 18 -2.573 1.987 -8.701 1.00 0.00 C ATOM 231 CG TRP A 18 -3.457 0.866 -9.158 1.00 0.00 C ATOM 232 CD1 TRP A 18 -4.358 0.899 -10.185 1.00 0.00 C ATOM 233 CD2 TRP A 18 -3.527 -0.452 -8.602 1.00 0.00 C ATOM 234 NE1 TRP A 18 -4.983 -0.320 -10.300 1.00 0.00 N ATOM 235 CE2 TRP A 18 -4.490 -1.165 -9.342 1.00 0.00 C ATOM 236 CE3 TRP A 18 -2.869 -1.098 -7.553 1.00 0.00 C ATOM 237 CZ2 TRP A 18 -4.810 -2.492 -9.063 1.00 0.00 C ATOM 238 CZ3 TRP A 18 -3.187 -2.415 -7.278 1.00 0.00 C ATOM 239 CH2 TRP A 18 -4.149 -3.100 -8.031 1.00 0.00 C ATOM 0 H TRP A 18 -2.029 1.232 -11.030 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.634 2.838 -9.064 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.538 1.992 -7.612 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.012 2.936 -9.011 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.551 1.756 -10.813 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.698 -0.557 -10.988 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.125 -0.578 -6.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.553 -3.022 -9.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.685 -2.924 -6.469 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.374 -4.129 -7.792 1.00 0.00 H new ATOM 250 N PHE A 19 -0.390 -0.406 -9.114 1.00 0.00 N ATOM 251 CA PHE A 19 0.301 -1.549 -8.528 1.00 0.00 C ATOM 252 C PHE A 19 1.802 -1.471 -8.791 1.00 0.00 C ATOM 253 O PHE A 19 2.234 -1.224 -9.917 1.00 0.00 O ATOM 254 CB PHE A 19 -0.260 -2.856 -9.094 1.00 0.00 C ATOM 255 CG PHE A 19 0.329 -4.084 -8.462 1.00 0.00 C ATOM 256 CD1 PHE A 19 -0.179 -4.579 -7.271 1.00 0.00 C ATOM 257 CD2 PHE A 19 1.390 -4.745 -9.060 1.00 0.00 C ATOM 258 CE1 PHE A 19 0.363 -5.709 -6.688 1.00 0.00 C ATOM 259 CE2 PHE A 19 1.935 -5.876 -8.481 1.00 0.00 C ATOM 260 CZ PHE A 19 1.420 -6.359 -7.294 1.00 0.00 C ATOM 0 H PHE A 19 -0.864 -0.606 -9.995 1.00 0.00 H new ATOM 0 HA PHE A 19 0.137 -1.527 -7.451 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.341 -2.868 -8.955 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.076 -2.886 -10.168 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.007 -4.076 -6.794 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.796 -4.372 -9.989 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.040 -6.084 -5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.763 -6.381 -8.956 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.843 -7.243 -6.841 1.00 0.00 H new ATOM 270 N HIS A 20 2.591 -1.683 -7.743 1.00 0.00 N ATOM 271 CA HIS A 20 4.045 -1.637 -7.859 1.00 0.00 C ATOM 272 C HIS A 20 4.682 -2.852 -7.192 1.00 0.00 C ATOM 273 O HIS A 20 4.536 -3.060 -5.989 1.00 0.00 O ATOM 274 CB HIS A 20 4.587 -0.353 -7.230 1.00 0.00 C ATOM 275 CG HIS A 20 4.676 0.793 -8.191 1.00 0.00 C ATOM 276 ND1 HIS A 20 5.869 1.243 -8.717 1.00 0.00 N ATOM 277 CD2 HIS A 20 3.711 1.580 -8.722 1.00 0.00 C ATOM 278 CE1 HIS A 20 5.634 2.259 -9.528 1.00 0.00 C ATOM 279 NE2 HIS A 20 4.332 2.483 -9.549 1.00 0.00 N ATOM 0 H HIS A 20 2.249 -1.888 -6.804 1.00 0.00 H new ATOM 0 HA HIS A 20 4.301 -1.650 -8.918 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.946 -0.068 -6.396 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.577 -0.549 -6.819 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.650 1.510 -8.531 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.379 2.812 -10.080 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.864 3.209 -10.092 1.00 0.00 H new ATOM 287 N GLY A 21 5.389 -3.653 -7.984 1.00 0.00 N ATOM 288 CA GLY A 21 6.037 -4.838 -7.453 1.00 0.00 C ATOM 289 C GLY A 21 7.531 -4.845 -7.706 1.00 0.00 C ATOM 290 O GLY A 21 8.298 -5.412 -6.928 1.00 0.00 O ATOM 0 H GLY A 21 5.524 -3.502 -8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.853 -4.899 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.591 -5.725 -7.904 1.00 0.00 H new ATOM 294 N LYS A 22 7.948 -4.213 -8.798 1.00 0.00 N ATOM 295 CA LYS A 22 9.360 -4.148 -9.154 1.00 0.00 C ATOM 296 C LYS A 22 10.158 -3.415 -8.080 1.00 0.00 C ATOM 297 O LYS A 22 11.260 -3.830 -7.720 1.00 0.00 O ATOM 298 CB LYS A 22 9.536 -3.447 -10.502 1.00 0.00 C ATOM 299 CG LYS A 22 9.000 -2.026 -10.524 1.00 0.00 C ATOM 300 CD LYS A 22 8.843 -1.510 -11.944 1.00 0.00 C ATOM 301 CE LYS A 22 7.527 -1.960 -12.559 1.00 0.00 C ATOM 302 NZ LYS A 22 7.645 -3.296 -13.206 1.00 0.00 N ATOM 0 H LYS A 22 7.327 -3.738 -9.453 1.00 0.00 H new ATOM 0 HA LYS A 22 9.737 -5.168 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.595 -3.431 -10.758 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.031 -4.029 -11.273 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.037 -1.992 -10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.676 -1.373 -9.971 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.892 -0.421 -11.944 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.672 -1.866 -12.555 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.759 -1.997 -11.786 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.201 -1.227 -13.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.194 -3.269 -14.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.650 -3.543 -13.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.174 -4.011 -12.615 1.00 0.00 H new ATOM 316 N ILE A 23 9.594 -2.325 -7.571 1.00 0.00 N ATOM 317 CA ILE A 23 10.252 -1.537 -6.536 1.00 0.00 C ATOM 318 C ILE A 23 10.298 -2.294 -5.214 1.00 0.00 C ATOM 319 O ILE A 23 9.705 -3.365 -5.079 1.00 0.00 O ATOM 320 CB ILE A 23 9.541 -0.188 -6.318 1.00 0.00 C ATOM 321 CG1 ILE A 23 8.163 -0.410 -5.690 1.00 0.00 C ATOM 322 CG2 ILE A 23 9.414 0.564 -7.634 1.00 0.00 C ATOM 323 CD1 ILE A 23 7.485 0.870 -5.253 1.00 0.00 C ATOM 0 H ILE A 23 8.683 -1.967 -7.858 1.00 0.00 H new ATOM 0 HA ILE A 23 11.269 -1.351 -6.880 1.00 0.00 H new ATOM 0 HB ILE A 23 10.139 0.415 -5.635 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.524 -0.923 -6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.267 -1.069 -4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.909 1.515 -7.462 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.407 0.749 -8.045 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.835 -0.032 -8.339 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.513 0.637 -4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.104 1.374 -4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.349 1.522 -6.116 1.00 0.00 H new ATOM 335 N SER A 24 11.006 -1.731 -4.240 1.00 0.00 N ATOM 336 CA SER A 24 11.132 -2.354 -2.927 1.00 0.00 C ATOM 337 C SER A 24 10.398 -1.539 -1.866 1.00 0.00 C ATOM 338 O SER A 24 9.866 -0.466 -2.149 1.00 0.00 O ATOM 339 CB SER A 24 12.606 -2.499 -2.547 1.00 0.00 C ATOM 340 OG SER A 24 12.808 -3.617 -1.700 1.00 0.00 O ATOM 0 H SER A 24 11.501 -0.844 -4.335 1.00 0.00 H new ATOM 0 HA SER A 24 10.679 -3.344 -2.977 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.208 -2.609 -3.449 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.946 -1.593 -2.045 1.00 0.00 H new ATOM 0 HG SER A 24 13.759 -3.688 -1.473 1.00 0.00 H new ATOM 346 N LYS A 25 10.375 -2.058 -0.643 1.00 0.00 N ATOM 347 CA LYS A 25 9.708 -1.380 0.463 1.00 0.00 C ATOM 348 C LYS A 25 10.288 0.015 0.674 1.00 0.00 C ATOM 349 O LYS A 25 9.555 1.004 0.697 1.00 0.00 O ATOM 350 CB LYS A 25 9.846 -2.200 1.747 1.00 0.00 C ATOM 351 CG LYS A 25 9.170 -1.564 2.950 1.00 0.00 C ATOM 352 CD LYS A 25 8.909 -2.583 4.046 1.00 0.00 C ATOM 353 CE LYS A 25 8.637 -1.907 5.382 1.00 0.00 C ATOM 354 NZ LYS A 25 9.897 -1.598 6.114 1.00 0.00 N ATOM 0 H LYS A 25 10.810 -2.946 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 25 8.652 -1.282 0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.421 -3.190 1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.904 -2.340 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.797 -0.762 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.228 -1.111 2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.057 -3.204 3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.769 -3.246 4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.078 -0.986 5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.010 -2.554 5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.669 -1.138 7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.418 -2.479 6.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.484 -0.960 5.540 1.00 0.00 H new ATOM 368 N GLN A 26 11.606 0.087 0.826 1.00 0.00 N ATOM 369 CA GLN A 26 12.282 1.362 1.034 1.00 0.00 C ATOM 370 C GLN A 26 12.008 2.318 -0.122 1.00 0.00 C ATOM 371 O GLN A 26 11.473 3.409 0.076 1.00 0.00 O ATOM 372 CB GLN A 26 13.789 1.146 1.186 1.00 0.00 C ATOM 373 CG GLN A 26 14.159 0.249 2.356 1.00 0.00 C ATOM 374 CD GLN A 26 15.648 0.250 2.644 1.00 0.00 C ATOM 375 OE1 GLN A 26 16.466 0.072 1.742 1.00 0.00 O ATOM 376 NE2 GLN A 26 16.007 0.450 3.907 1.00 0.00 N ATOM 0 H GLN A 26 12.227 -0.722 0.809 1.00 0.00 H new ATOM 0 HA GLN A 26 11.892 1.806 1.950 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.180 0.710 0.267 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.276 2.113 1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.621 0.577 3.245 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.834 -0.770 2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.295 0.593 4.623 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.995 0.460 4.161 1.00 0.00 H new ATOM 385 N GLU A 27 12.380 1.902 -1.329 1.00 0.00 N ATOM 386 CA GLU A 27 12.175 2.723 -2.516 1.00 0.00 C ATOM 387 C GLU A 27 10.772 3.326 -2.526 1.00 0.00 C ATOM 388 O GLU A 27 10.609 4.543 -2.608 1.00 0.00 O ATOM 389 CB GLU A 27 12.393 1.892 -3.782 1.00 0.00 C ATOM 390 CG GLU A 27 13.837 1.872 -4.255 1.00 0.00 C ATOM 391 CD GLU A 27 14.138 0.691 -5.158 1.00 0.00 C ATOM 392 OE1 GLU A 27 13.750 -0.441 -4.804 1.00 0.00 O ATOM 393 OE2 GLU A 27 14.763 0.901 -6.219 1.00 0.00 O ATOM 0 H GLU A 27 12.824 1.002 -1.510 1.00 0.00 H new ATOM 0 HA GLU A 27 12.901 3.536 -2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.066 0.869 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.764 2.288 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.054 2.797 -4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.499 1.841 -3.389 1.00 0.00 H new ATOM 400 N ALA A 28 9.764 2.464 -2.441 1.00 0.00 N ATOM 401 CA ALA A 28 8.376 2.910 -2.439 1.00 0.00 C ATOM 402 C ALA A 28 8.228 4.237 -1.701 1.00 0.00 C ATOM 403 O ALA A 28 7.619 5.177 -2.212 1.00 0.00 O ATOM 404 CB ALA A 28 7.483 1.851 -1.809 1.00 0.00 C ATOM 0 H ALA A 28 9.883 1.453 -2.373 1.00 0.00 H new ATOM 0 HA ALA A 28 8.067 3.062 -3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.449 2.197 -1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.559 0.925 -2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.801 1.671 -0.782 1.00 0.00 H new ATOM 410 N TYR A 29 8.786 4.305 -0.498 1.00 0.00 N ATOM 411 CA TYR A 29 8.713 5.516 0.311 1.00 0.00 C ATOM 412 C TYR A 29 9.297 6.709 -0.440 1.00 0.00 C ATOM 413 O TYR A 29 8.699 7.783 -0.483 1.00 0.00 O ATOM 414 CB TYR A 29 9.456 5.317 1.633 1.00 0.00 C ATOM 415 CG TYR A 29 8.587 4.761 2.738 1.00 0.00 C ATOM 416 CD1 TYR A 29 7.600 5.539 3.331 1.00 0.00 C ATOM 417 CD2 TYR A 29 8.753 3.457 3.189 1.00 0.00 C ATOM 418 CE1 TYR A 29 6.804 5.035 4.342 1.00 0.00 C ATOM 419 CE2 TYR A 29 7.960 2.944 4.198 1.00 0.00 C ATOM 420 CZ TYR A 29 6.988 3.737 4.771 1.00 0.00 C ATOM 421 OH TYR A 29 6.198 3.230 5.777 1.00 0.00 O ATOM 0 H TYR A 29 9.294 3.536 -0.061 1.00 0.00 H new ATOM 0 HA TYR A 29 7.663 5.720 0.520 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.297 4.643 1.470 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.871 6.272 1.954 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.452 6.555 2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 29 9.514 2.834 2.744 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.042 5.654 4.793 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.101 1.928 4.536 1.00 0.00 H new ATOM 0 HH TYR A 29 6.091 2.264 5.653 1.00 0.00 H new ATOM 431 N ASN A 30 10.471 6.510 -1.031 1.00 0.00 N ATOM 432 CA ASN A 30 11.138 7.569 -1.780 1.00 0.00 C ATOM 433 C ASN A 30 10.334 7.947 -3.020 1.00 0.00 C ATOM 434 O ASN A 30 10.205 9.125 -3.355 1.00 0.00 O ATOM 435 CB ASN A 30 12.545 7.125 -2.186 1.00 0.00 C ATOM 436 CG ASN A 30 13.547 7.275 -1.058 1.00 0.00 C ATOM 437 OD1 ASN A 30 13.224 7.048 0.108 1.00 0.00 O ATOM 438 ND2 ASN A 30 14.771 7.660 -1.400 1.00 0.00 N ATOM 0 H ASN A 30 10.980 5.626 -1.006 1.00 0.00 H new ATOM 0 HA ASN A 30 11.212 8.445 -1.136 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.516 6.084 -2.506 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.875 7.713 -3.042 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.487 7.778 -0.683 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.995 7.837 -2.379 1.00 0.00 H new ATOM 445 N LEU A 31 9.795 6.940 -3.698 1.00 0.00 N ATOM 446 CA LEU A 31 9.002 7.166 -4.902 1.00 0.00 C ATOM 447 C LEU A 31 7.870 8.152 -4.631 1.00 0.00 C ATOM 448 O LEU A 31 7.851 9.257 -5.175 1.00 0.00 O ATOM 449 CB LEU A 31 8.430 5.844 -5.415 1.00 0.00 C ATOM 450 CG LEU A 31 9.427 4.893 -6.079 1.00 0.00 C ATOM 451 CD1 LEU A 31 8.867 3.480 -6.128 1.00 0.00 C ATOM 452 CD2 LEU A 31 9.777 5.379 -7.478 1.00 0.00 C ATOM 0 H LEU A 31 9.892 5.959 -3.435 1.00 0.00 H new ATOM 0 HA LEU A 31 9.656 7.592 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.965 5.324 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.639 6.067 -6.131 1.00 0.00 H new ATOM 0 HG LEU A 31 10.339 4.879 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.591 2.818 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.669 3.132 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.940 3.476 -6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.487 4.690 -7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.873 5.423 -8.085 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.222 6.372 -7.417 1.00 0.00 H new ATOM 464 N LEU A 32 6.929 7.746 -3.785 1.00 0.00 N ATOM 465 CA LEU A 32 5.794 8.595 -3.440 1.00 0.00 C ATOM 466 C LEU A 32 6.259 9.992 -3.044 1.00 0.00 C ATOM 467 O LEU A 32 5.477 10.942 -3.048 1.00 0.00 O ATOM 468 CB LEU A 32 4.993 7.969 -2.296 1.00 0.00 C ATOM 469 CG LEU A 32 3.986 6.889 -2.695 1.00 0.00 C ATOM 470 CD1 LEU A 32 3.716 5.954 -1.527 1.00 0.00 C ATOM 471 CD2 LEU A 32 2.692 7.522 -3.184 1.00 0.00 C ATOM 0 H LEU A 32 6.930 6.835 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 32 5.156 8.680 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.694 7.538 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.457 8.764 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 32 4.412 6.305 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.997 5.192 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.646 5.475 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.311 6.524 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.987 6.739 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.262 8.131 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.899 8.150 -4.050 1.00 0.00 H new ATOM 483 N MET A 33 7.538 10.110 -2.704 1.00 0.00 N ATOM 484 CA MET A 33 8.109 11.393 -2.308 1.00 0.00 C ATOM 485 C MET A 33 8.682 12.128 -3.516 1.00 0.00 C ATOM 486 O MET A 33 8.723 13.358 -3.546 1.00 0.00 O ATOM 487 CB MET A 33 9.200 11.188 -1.256 1.00 0.00 C ATOM 488 CG MET A 33 8.662 10.777 0.105 1.00 0.00 C ATOM 489 SD MET A 33 7.556 12.011 0.816 1.00 0.00 S ATOM 490 CE MET A 33 8.673 13.399 1.002 1.00 0.00 C ATOM 0 H MET A 33 8.199 9.333 -2.695 1.00 0.00 H new ATOM 0 HA MET A 33 7.312 12.000 -1.879 1.00 0.00 H new ATOM 0 HB2 MET A 33 9.895 10.425 -1.608 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.768 12.112 -1.149 1.00 0.00 H new ATOM 0 HG2 MET A 33 8.131 9.830 0.010 1.00 0.00 H new ATOM 0 HG3 MET A 33 9.497 10.608 0.785 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.248 14.116 1.704 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.633 13.046 1.380 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.819 13.881 0.035 1.00 0.00 H new ATOM 500 N THR A 34 9.126 11.366 -4.511 1.00 0.00 N ATOM 501 CA THR A 34 9.698 11.945 -5.720 1.00 0.00 C ATOM 502 C THR A 34 8.712 11.882 -6.880 1.00 0.00 C ATOM 503 O THR A 34 8.132 12.895 -7.270 1.00 0.00 O ATOM 504 CB THR A 34 10.998 11.225 -6.126 1.00 0.00 C ATOM 505 OG1 THR A 34 10.770 9.813 -6.210 1.00 0.00 O ATOM 506 CG2 THR A 34 12.108 11.506 -5.126 1.00 0.00 C ATOM 0 H THR A 34 9.100 10.346 -4.503 1.00 0.00 H new ATOM 0 HA THR A 34 9.923 12.988 -5.495 1.00 0.00 H new ATOM 0 HB THR A 34 11.306 11.602 -7.101 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.666 9.444 -5.308 1.00 0.00 H new ATOM 0 HG21 THR A 34 13.015 10.987 -5.434 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.299 12.578 -5.086 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.806 11.155 -4.139 1.00 0.00 H new ATOM 514 N VAL A 35 8.525 10.686 -7.428 1.00 0.00 N ATOM 515 CA VAL A 35 7.606 10.491 -8.543 1.00 0.00 C ATOM 516 C VAL A 35 6.169 10.781 -8.128 1.00 0.00 C ATOM 517 O VAL A 35 5.430 11.459 -8.842 1.00 0.00 O ATOM 518 CB VAL A 35 7.690 9.055 -9.095 1.00 0.00 C ATOM 519 CG1 VAL A 35 9.079 8.775 -9.647 1.00 0.00 C ATOM 520 CG2 VAL A 35 7.324 8.048 -8.015 1.00 0.00 C ATOM 0 H VAL A 35 8.998 9.837 -7.118 1.00 0.00 H new ATOM 0 HA VAL A 35 7.903 11.191 -9.324 1.00 0.00 H new ATOM 0 HB VAL A 35 6.974 8.956 -9.911 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.119 7.756 -10.032 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.299 9.476 -10.452 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.816 8.892 -8.853 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.388 7.039 -8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.014 8.146 -7.177 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.307 8.236 -7.671 1.00 0.00 H new ATOM 530 N GLY A 36 5.777 10.263 -6.968 1.00 0.00 N ATOM 531 CA GLY A 36 4.429 10.478 -6.477 1.00 0.00 C ATOM 532 C GLY A 36 4.233 11.870 -5.909 1.00 0.00 C ATOM 533 O GLY A 36 5.099 12.732 -6.053 1.00 0.00 O ATOM 0 H GLY A 36 6.369 9.698 -6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.720 10.317 -7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.204 9.740 -5.707 1.00 0.00 H new ATOM 537 N GLN A 37 3.092 12.089 -5.263 1.00 0.00 N ATOM 538 CA GLN A 37 2.786 13.387 -4.674 1.00 0.00 C ATOM 539 C GLN A 37 1.769 13.247 -3.547 1.00 0.00 C ATOM 540 O GLN A 37 1.297 12.148 -3.255 1.00 0.00 O ATOM 541 CB GLN A 37 2.251 14.342 -5.743 1.00 0.00 C ATOM 542 CG GLN A 37 2.585 15.801 -5.477 1.00 0.00 C ATOM 543 CD GLN A 37 2.600 16.637 -6.742 1.00 0.00 C ATOM 544 OE1 GLN A 37 2.113 16.208 -7.788 1.00 0.00 O ATOM 545 NE2 GLN A 37 3.160 17.837 -6.652 1.00 0.00 N ATOM 0 H GLN A 37 2.365 11.385 -5.134 1.00 0.00 H new ATOM 0 HA GLN A 37 3.707 13.796 -4.259 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.660 14.055 -6.712 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.169 14.232 -5.808 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.856 16.215 -4.781 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.560 15.864 -4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.551 18.152 -5.764 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.199 18.444 -7.471 1.00 0.00 H new ATOM 554 N VAL A 38 1.435 14.367 -2.914 1.00 0.00 N ATOM 555 CA VAL A 38 0.473 14.370 -1.818 1.00 0.00 C ATOM 556 C VAL A 38 -0.940 14.105 -2.327 1.00 0.00 C ATOM 557 O VAL A 38 -1.896 14.089 -1.551 1.00 0.00 O ATOM 558 CB VAL A 38 0.491 15.709 -1.059 1.00 0.00 C ATOM 559 CG1 VAL A 38 0.035 16.843 -1.964 1.00 0.00 C ATOM 560 CG2 VAL A 38 -0.380 15.627 0.186 1.00 0.00 C ATOM 0 H VAL A 38 1.817 15.285 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 38 0.767 13.571 -1.137 1.00 0.00 H new ATOM 0 HB VAL A 38 1.515 15.915 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.054 17.781 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.703 16.915 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.980 16.647 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.356 16.582 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.406 15.397 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.003 14.843 0.843 1.00 0.00 H new ATOM 570 N CYS A 39 -1.063 13.897 -3.633 1.00 0.00 N ATOM 571 CA CYS A 39 -2.360 13.632 -4.245 1.00 0.00 C ATOM 572 C CYS A 39 -2.334 12.326 -5.032 1.00 0.00 C ATOM 573 O CYS A 39 -3.163 12.104 -5.914 1.00 0.00 O ATOM 574 CB CYS A 39 -2.758 14.788 -5.165 1.00 0.00 C ATOM 575 SG CYS A 39 -3.252 16.291 -4.290 1.00 0.00 S ATOM 0 H CYS A 39 -0.281 13.907 -4.288 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.098 13.540 -3.448 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.919 15.021 -5.821 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.581 14.464 -5.802 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.568 17.211 -5.152 1.00 0.00 H new ATOM 581 N SER A 40 -1.374 11.466 -4.708 1.00 0.00 N ATOM 582 CA SER A 40 -1.235 10.183 -5.389 1.00 0.00 C ATOM 583 C SER A 40 -1.028 9.055 -4.383 1.00 0.00 C ATOM 584 O SER A 40 -0.599 9.286 -3.253 1.00 0.00 O ATOM 585 CB SER A 40 -0.064 10.227 -6.372 1.00 0.00 C ATOM 586 OG SER A 40 1.154 9.890 -5.731 1.00 0.00 O ATOM 0 H SER A 40 -0.681 11.634 -3.979 1.00 0.00 H new ATOM 0 HA SER A 40 -2.155 9.991 -5.941 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.249 9.536 -7.194 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.013 11.224 -6.806 1.00 0.00 H new ATOM 0 HG SER A 40 1.102 10.131 -4.783 1.00 0.00 H new ATOM 592 N PHE A 41 -1.335 7.832 -4.804 1.00 0.00 N ATOM 593 CA PHE A 41 -1.183 6.666 -3.941 1.00 0.00 C ATOM 594 C PHE A 41 -0.745 5.447 -4.747 1.00 0.00 C ATOM 595 O PHE A 41 -0.568 5.523 -5.963 1.00 0.00 O ATOM 596 CB PHE A 41 -2.497 6.367 -3.217 1.00 0.00 C ATOM 597 CG PHE A 41 -3.486 5.609 -4.056 1.00 0.00 C ATOM 598 CD1 PHE A 41 -3.963 6.145 -5.241 1.00 0.00 C ATOM 599 CD2 PHE A 41 -3.937 4.361 -3.660 1.00 0.00 C ATOM 600 CE1 PHE A 41 -4.873 5.450 -6.015 1.00 0.00 C ATOM 601 CE2 PHE A 41 -4.847 3.661 -4.430 1.00 0.00 C ATOM 602 CZ PHE A 41 -5.315 4.206 -5.610 1.00 0.00 C ATOM 0 H PHE A 41 -1.690 7.623 -5.737 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.412 6.888 -3.203 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.283 5.793 -2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.948 7.306 -2.898 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.620 7.117 -5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.574 3.930 -2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.238 5.880 -6.936 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.192 2.689 -4.109 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.025 3.661 -6.214 1.00 0.00 H new ATOM 612 N LEU A 42 -0.570 4.323 -4.060 1.00 0.00 N ATOM 613 CA LEU A 42 -0.152 3.086 -4.710 1.00 0.00 C ATOM 614 C LEU A 42 -0.337 1.892 -3.779 1.00 0.00 C ATOM 615 O LEU A 42 -0.398 2.046 -2.559 1.00 0.00 O ATOM 616 CB LEU A 42 1.311 3.185 -5.146 1.00 0.00 C ATOM 617 CG LEU A 42 2.325 3.460 -4.035 1.00 0.00 C ATOM 618 CD1 LEU A 42 2.665 2.177 -3.293 1.00 0.00 C ATOM 619 CD2 LEU A 42 3.583 4.097 -4.607 1.00 0.00 C ATOM 0 H LEU A 42 -0.711 4.243 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.778 2.938 -5.590 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.586 2.253 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.395 3.976 -5.891 1.00 0.00 H new ATOM 0 HG LEU A 42 1.879 4.158 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.388 2.392 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.760 1.762 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.092 1.456 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.293 4.286 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.032 3.424 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.326 5.039 -5.092 1.00 0.00 H new ATOM 631 N VAL A 43 -0.424 0.701 -4.363 1.00 0.00 N ATOM 632 CA VAL A 43 -0.599 -0.520 -3.586 1.00 0.00 C ATOM 633 C VAL A 43 0.631 -1.416 -3.685 1.00 0.00 C ATOM 634 O VAL A 43 1.155 -1.649 -4.775 1.00 0.00 O ATOM 635 CB VAL A 43 -1.835 -1.311 -4.054 1.00 0.00 C ATOM 636 CG1 VAL A 43 -2.002 -2.578 -3.230 1.00 0.00 C ATOM 637 CG2 VAL A 43 -3.083 -0.445 -3.974 1.00 0.00 C ATOM 0 H VAL A 43 -0.376 0.556 -5.371 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.742 -0.217 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.687 -1.600 -5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.880 -3.123 -3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.118 -3.205 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.128 -2.315 -2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.947 -1.020 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.238 -0.124 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.960 0.430 -4.612 1.00 0.00 H new ATOM 647 N ARG A 44 1.087 -1.915 -2.541 1.00 0.00 N ATOM 648 CA ARG A 44 2.256 -2.784 -2.499 1.00 0.00 C ATOM 649 C ARG A 44 2.038 -3.942 -1.529 1.00 0.00 C ATOM 650 O ARG A 44 1.468 -3.780 -0.449 1.00 0.00 O ATOM 651 CB ARG A 44 3.496 -1.988 -2.088 1.00 0.00 C ATOM 652 CG ARG A 44 4.510 -2.802 -1.302 1.00 0.00 C ATOM 653 CD ARG A 44 5.927 -2.301 -1.535 1.00 0.00 C ATOM 654 NE ARG A 44 6.925 -3.326 -1.239 1.00 0.00 N ATOM 655 CZ ARG A 44 7.325 -3.630 -0.010 1.00 0.00 C ATOM 656 NH1 ARG A 44 6.813 -2.991 1.034 1.00 0.00 N ATOM 657 NH2 ARG A 44 8.237 -4.574 0.178 1.00 0.00 N ATOM 0 H ARG A 44 0.664 -1.732 -1.631 1.00 0.00 H new ATOM 0 HA ARG A 44 2.409 -3.192 -3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.976 -1.592 -2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.186 -1.133 -1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.275 -2.750 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.441 -3.850 -1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.033 -1.981 -2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.110 -1.426 -0.911 1.00 0.00 H new ATOM 0 HE ARG A 44 7.337 -3.836 -2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.111 -2.265 0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.122 -3.226 1.977 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.632 -5.068 -0.622 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.543 -4.806 1.123 1.00 0.00 H new ATOM 671 N PRO A 45 2.501 -5.138 -1.921 1.00 0.00 N ATOM 672 CA PRO A 45 2.368 -6.346 -1.101 1.00 0.00 C ATOM 673 C PRO A 45 3.250 -6.303 0.142 1.00 0.00 C ATOM 674 O PRO A 45 4.449 -6.035 0.055 1.00 0.00 O ATOM 675 CB PRO A 45 2.823 -7.465 -2.041 1.00 0.00 C ATOM 676 CG PRO A 45 3.730 -6.795 -3.015 1.00 0.00 C ATOM 677 CD PRO A 45 3.190 -5.404 -3.195 1.00 0.00 C ATOM 0 HA PRO A 45 1.353 -6.473 -0.725 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.341 -8.254 -1.496 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.975 -7.929 -2.544 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.754 -6.771 -2.642 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.749 -7.332 -3.963 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.987 -4.684 -3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.506 -5.345 -4.042 1.00 0.00 H new ATOM 685 N SER A 46 2.650 -6.567 1.298 1.00 0.00 N ATOM 686 CA SER A 46 3.381 -6.555 2.560 1.00 0.00 C ATOM 687 C SER A 46 4.532 -7.556 2.530 1.00 0.00 C ATOM 688 O SER A 46 4.643 -8.364 1.608 1.00 0.00 O ATOM 689 CB SER A 46 2.440 -6.877 3.722 1.00 0.00 C ATOM 690 OG SER A 46 2.889 -6.276 4.924 1.00 0.00 O ATOM 0 H SER A 46 1.659 -6.792 1.387 1.00 0.00 H new ATOM 0 HA SER A 46 3.794 -5.557 2.703 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.435 -6.524 3.489 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.376 -7.957 3.854 1.00 0.00 H new ATOM 0 HG SER A 46 2.269 -6.496 5.651 1.00 0.00 H new ATOM 757 N ASP A 52 -0.164 -10.488 2.258 1.00 0.00 N ATOM 758 CA ASP A 52 -0.858 -9.287 2.707 1.00 0.00 C ATOM 759 C ASP A 52 -0.516 -8.096 1.818 1.00 0.00 C ATOM 760 O ASP A 52 0.295 -8.209 0.897 1.00 0.00 O ATOM 761 CB ASP A 52 -0.495 -8.975 4.160 1.00 0.00 C ATOM 762 CG ASP A 52 -1.581 -8.196 4.874 1.00 0.00 C ATOM 763 OD1 ASP A 52 -2.754 -8.616 4.807 1.00 0.00 O ATOM 764 OD2 ASP A 52 -1.258 -7.164 5.499 1.00 0.00 O ATOM 0 HA ASP A 52 -1.930 -9.471 2.640 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.310 -9.907 4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.433 -8.404 4.185 1.00 0.00 H new ATOM 769 N TYR A 53 -1.138 -6.957 2.097 1.00 0.00 N ATOM 770 CA TYR A 53 -0.902 -5.746 1.320 1.00 0.00 C ATOM 771 C TYR A 53 -1.030 -4.503 2.196 1.00 0.00 C ATOM 772 O TYR A 53 -1.404 -4.590 3.366 1.00 0.00 O ATOM 773 CB TYR A 53 -1.887 -5.664 0.153 1.00 0.00 C ATOM 774 CG TYR A 53 -1.572 -6.624 -0.973 1.00 0.00 C ATOM 775 CD1 TYR A 53 -0.683 -6.274 -1.982 1.00 0.00 C ATOM 776 CD2 TYR A 53 -2.165 -7.879 -1.028 1.00 0.00 C ATOM 777 CE1 TYR A 53 -0.393 -7.148 -3.013 1.00 0.00 C ATOM 778 CE2 TYR A 53 -1.880 -8.760 -2.053 1.00 0.00 C ATOM 779 CZ TYR A 53 -0.994 -8.389 -3.044 1.00 0.00 C ATOM 780 OH TYR A 53 -0.708 -9.262 -4.068 1.00 0.00 O ATOM 0 H TYR A 53 -1.810 -6.846 2.856 1.00 0.00 H new ATOM 0 HA TYR A 53 0.114 -5.789 0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.892 -5.867 0.522 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.890 -4.647 -0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.211 -5.303 -1.960 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.861 -8.171 -0.256 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.300 -6.861 -3.790 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.348 -9.733 -2.079 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.213 -10.092 -3.941 1.00 0.00 H new ATOM 790 N SER A 54 -0.717 -3.347 1.620 1.00 0.00 N ATOM 791 CA SER A 54 -0.793 -2.085 2.347 1.00 0.00 C ATOM 792 C SER A 54 -0.845 -0.904 1.383 1.00 0.00 C ATOM 793 O SER A 54 -0.197 -0.915 0.335 1.00 0.00 O ATOM 794 CB SER A 54 0.407 -1.940 3.286 1.00 0.00 C ATOM 795 OG SER A 54 0.133 -2.508 4.555 1.00 0.00 O ATOM 0 H SER A 54 -0.408 -3.258 0.652 1.00 0.00 H new ATOM 0 HA SER A 54 -1.709 -2.089 2.938 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.278 -2.427 2.846 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.656 -0.885 3.402 1.00 0.00 H new ATOM 0 HG SER A 54 -0.402 -1.881 5.085 1.00 0.00 H new ATOM 801 N LEU A 55 -1.620 0.112 1.744 1.00 0.00 N ATOM 802 CA LEU A 55 -1.758 1.302 0.911 1.00 0.00 C ATOM 803 C LEU A 55 -0.821 2.410 1.385 1.00 0.00 C ATOM 804 O LEU A 55 -0.661 2.629 2.586 1.00 0.00 O ATOM 805 CB LEU A 55 -3.204 1.799 0.932 1.00 0.00 C ATOM 806 CG LEU A 55 -3.615 2.719 -0.218 1.00 0.00 C ATOM 807 CD1 LEU A 55 -3.987 1.904 -1.447 1.00 0.00 C ATOM 808 CD2 LEU A 55 -4.773 3.613 0.201 1.00 0.00 C ATOM 0 H LEU A 55 -2.162 0.136 2.607 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.487 1.034 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.865 0.932 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.372 2.327 1.871 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.765 3.353 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.277 2.576 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.131 1.307 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.821 1.244 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.052 4.261 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.626 2.996 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.472 4.224 1.052 1.00 0.00 H new ATOM 820 N TYR A 56 -0.208 3.105 0.434 1.00 0.00 N ATOM 821 CA TYR A 56 0.713 4.190 0.754 1.00 0.00 C ATOM 822 C TYR A 56 0.232 5.507 0.153 1.00 0.00 C ATOM 823 O TYR A 56 0.322 5.721 -1.056 1.00 0.00 O ATOM 824 CB TYR A 56 2.116 3.864 0.241 1.00 0.00 C ATOM 825 CG TYR A 56 2.806 2.766 1.019 1.00 0.00 C ATOM 826 CD1 TYR A 56 3.372 3.019 2.262 1.00 0.00 C ATOM 827 CD2 TYR A 56 2.890 1.476 0.511 1.00 0.00 C ATOM 828 CE1 TYR A 56 4.004 2.019 2.975 1.00 0.00 C ATOM 829 CE2 TYR A 56 3.518 0.469 1.218 1.00 0.00 C ATOM 830 CZ TYR A 56 4.074 0.746 2.450 1.00 0.00 C ATOM 831 OH TYR A 56 4.701 -0.254 3.158 1.00 0.00 O ATOM 0 H TYR A 56 -0.332 2.937 -0.564 1.00 0.00 H new ATOM 0 HA TYR A 56 0.746 4.297 1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.051 3.570 -0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.727 4.766 0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.317 4.014 2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.457 1.256 -0.454 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.441 2.233 3.939 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.573 -0.529 0.809 1.00 0.00 H new ATOM 0 HH TYR A 56 4.661 -1.090 2.648 1.00 0.00 H new ATOM 841 N PHE A 57 -0.278 6.389 1.007 1.00 0.00 N ATOM 842 CA PHE A 57 -0.773 7.686 0.562 1.00 0.00 C ATOM 843 C PHE A 57 -0.014 8.821 1.243 1.00 0.00 C ATOM 844 O PHE A 57 0.355 8.721 2.413 1.00 0.00 O ATOM 845 CB PHE A 57 -2.270 7.811 0.854 1.00 0.00 C ATOM 846 CG PHE A 57 -2.899 9.032 0.246 1.00 0.00 C ATOM 847 CD1 PHE A 57 -2.671 9.357 -1.082 1.00 0.00 C ATOM 848 CD2 PHE A 57 -3.719 9.855 1.001 1.00 0.00 C ATOM 849 CE1 PHE A 57 -3.249 10.479 -1.645 1.00 0.00 C ATOM 850 CE2 PHE A 57 -4.300 10.978 0.444 1.00 0.00 C ATOM 851 CZ PHE A 57 -4.063 11.291 -0.881 1.00 0.00 C ATOM 0 H PHE A 57 -0.359 6.229 2.011 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.612 7.759 -0.514 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.781 6.924 0.479 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.421 7.833 1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.034 8.726 -1.684 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.906 9.616 2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.064 10.720 -2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.938 11.610 1.043 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.514 12.170 -1.318 1.00 0.00 H new ATOM 861 N ARG A 58 0.216 9.899 0.501 1.00 0.00 N ATOM 862 CA ARG A 58 0.933 11.052 1.031 1.00 0.00 C ATOM 863 C ARG A 58 -0.037 12.164 1.420 1.00 0.00 C ATOM 864 O ARG A 58 -0.968 12.479 0.678 1.00 0.00 O ATOM 865 CB ARG A 58 1.936 11.574 0.001 1.00 0.00 C ATOM 866 CG ARG A 58 2.514 12.936 0.349 1.00 0.00 C ATOM 867 CD ARG A 58 3.721 12.811 1.266 1.00 0.00 C ATOM 868 NE ARG A 58 4.442 14.074 1.397 1.00 0.00 N ATOM 869 CZ ARG A 58 5.359 14.491 0.530 1.00 0.00 C ATOM 870 NH1 ARG A 58 5.663 13.748 -0.525 1.00 0.00 N ATOM 871 NH2 ARG A 58 5.971 15.653 0.718 1.00 0.00 N ATOM 0 H ARG A 58 -0.084 9.998 -0.469 1.00 0.00 H new ATOM 0 HA ARG A 58 1.471 10.734 1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.751 10.857 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.447 11.634 -0.971 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.802 13.454 -0.565 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.750 13.544 0.833 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.395 12.476 2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.395 12.048 0.876 1.00 0.00 H new ATOM 0 HE ARG A 58 4.230 14.669 2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.193 12.855 -0.672 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.367 14.070 -1.189 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.738 16.227 1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.675 15.972 0.052 1.00 0.00 H new ATOM 885 N THR A 59 0.185 12.754 2.591 1.00 0.00 N ATOM 886 CA THR A 59 -0.669 13.828 3.080 1.00 0.00 C ATOM 887 C THR A 59 0.125 15.113 3.285 1.00 0.00 C ATOM 888 O THR A 59 1.319 15.075 3.578 1.00 0.00 O ATOM 889 CB THR A 59 -1.353 13.443 4.406 1.00 0.00 C ATOM 890 OG1 THR A 59 -0.367 13.249 5.426 1.00 0.00 O ATOM 891 CG2 THR A 59 -2.177 12.176 4.242 1.00 0.00 C ATOM 0 H THR A 59 0.950 12.505 3.218 1.00 0.00 H new ATOM 0 HA THR A 59 -1.433 13.994 2.321 1.00 0.00 H new ATOM 0 HB THR A 59 -2.020 14.255 4.695 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.502 13.067 5.011 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.650 11.924 5.191 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.945 12.337 3.485 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.528 11.357 3.932 1.00 0.00 H new ATOM 899 N ASN A 60 -0.546 16.250 3.129 1.00 0.00 N ATOM 900 CA ASN A 60 0.098 17.547 3.297 1.00 0.00 C ATOM 901 C ASN A 60 1.174 17.484 4.377 1.00 0.00 C ATOM 902 O ASN A 60 2.201 18.155 4.283 1.00 0.00 O ATOM 903 CB ASN A 60 -0.939 18.612 3.657 1.00 0.00 C ATOM 904 CG ASN A 60 -1.843 18.178 4.796 1.00 0.00 C ATOM 905 OD1 ASN A 60 -1.395 17.542 5.750 1.00 0.00 O ATOM 906 ND2 ASN A 60 -3.122 18.521 4.699 1.00 0.00 N ATOM 0 H ASN A 60 -1.536 16.299 2.886 1.00 0.00 H new ATOM 0 HA ASN A 60 0.571 17.815 2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.428 19.534 3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.546 18.835 2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.778 18.257 5.434 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.449 19.049 3.889 1.00 0.00 H new ATOM 913 N GLU A 61 0.930 16.672 5.401 1.00 0.00 N ATOM 914 CA GLU A 61 1.878 16.522 6.499 1.00 0.00 C ATOM 915 C GLU A 61 2.981 15.533 6.133 1.00 0.00 C ATOM 916 O GLU A 61 4.114 15.924 5.856 1.00 0.00 O ATOM 917 CB GLU A 61 1.158 16.054 7.765 1.00 0.00 C ATOM 918 CG GLU A 61 2.097 15.716 8.911 1.00 0.00 C ATOM 919 CD GLU A 61 1.361 15.230 10.144 1.00 0.00 C ATOM 920 OE1 GLU A 61 0.957 16.077 10.967 1.00 0.00 O ATOM 921 OE2 GLU A 61 1.189 14.001 10.285 1.00 0.00 O ATOM 0 H GLU A 61 0.085 16.108 5.493 1.00 0.00 H new ATOM 0 HA GLU A 61 2.333 17.495 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.468 16.833 8.090 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.558 15.176 7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.800 14.949 8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.684 16.598 9.167 1.00 0.00 H new ATOM 928 N ASN A 62 2.640 14.248 6.136 1.00 0.00 N ATOM 929 CA ASN A 62 3.601 13.202 5.806 1.00 0.00 C ATOM 930 C ASN A 62 2.905 12.010 5.155 1.00 0.00 C ATOM 931 O ASN A 62 1.700 12.043 4.905 1.00 0.00 O ATOM 932 CB ASN A 62 4.345 12.748 7.064 1.00 0.00 C ATOM 933 CG ASN A 62 5.745 12.250 6.760 1.00 0.00 C ATOM 934 OD1 ASN A 62 5.935 11.100 6.367 1.00 0.00 O ATOM 935 ND2 ASN A 62 6.733 13.118 6.943 1.00 0.00 N ATOM 0 H ASN A 62 1.706 13.907 6.363 1.00 0.00 H new ATOM 0 HA ASN A 62 4.319 13.613 5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.403 13.578 7.768 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.778 11.955 7.552 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.697 12.841 6.756 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.528 14.062 7.270 1.00 0.00 H new ATOM 942 N ILE A 63 3.673 10.960 4.884 1.00 0.00 N ATOM 943 CA ILE A 63 3.130 9.757 4.264 1.00 0.00 C ATOM 944 C ILE A 63 2.527 8.824 5.309 1.00 0.00 C ATOM 945 O ILE A 63 3.138 8.560 6.344 1.00 0.00 O ATOM 946 CB ILE A 63 4.209 8.995 3.473 1.00 0.00 C ATOM 947 CG1 ILE A 63 4.767 9.874 2.352 1.00 0.00 C ATOM 948 CG2 ILE A 63 3.639 7.703 2.907 1.00 0.00 C ATOM 949 CD1 ILE A 63 6.079 9.375 1.788 1.00 0.00 C ATOM 0 H ILE A 63 4.672 10.918 5.084 1.00 0.00 H new ATOM 0 HA ILE A 63 2.349 10.082 3.577 1.00 0.00 H new ATOM 0 HB ILE A 63 5.024 8.742 4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.034 9.932 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.905 10.887 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.414 7.176 2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.286 7.073 3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.807 7.933 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.415 10.047 0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.827 9.344 2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.942 8.374 1.379 1.00 0.00 H new ATOM 961 N GLN A 64 1.327 8.327 5.029 1.00 0.00 N ATOM 962 CA GLN A 64 0.643 7.422 5.944 1.00 0.00 C ATOM 963 C GLN A 64 0.869 5.968 5.544 1.00 0.00 C ATOM 964 O GLN A 64 1.573 5.684 4.574 1.00 0.00 O ATOM 965 CB GLN A 64 -0.856 7.728 5.973 1.00 0.00 C ATOM 966 CG GLN A 64 -1.198 9.031 6.677 1.00 0.00 C ATOM 967 CD GLN A 64 -2.621 9.057 7.198 1.00 0.00 C ATOM 968 OE1 GLN A 64 -3.155 8.035 7.631 1.00 0.00 O ATOM 969 NE2 GLN A 64 -3.245 10.228 7.157 1.00 0.00 N ATOM 0 H GLN A 64 0.808 8.536 4.176 1.00 0.00 H new ATOM 0 HA GLN A 64 1.057 7.574 6.941 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.230 7.769 4.950 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.376 6.909 6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.508 9.183 7.507 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.053 9.862 5.986 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.764 11.049 6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.205 10.306 7.492 1.00 0.00 H new ATOM 978 N ARG A 65 0.269 5.052 6.296 1.00 0.00 N ATOM 979 CA ARG A 65 0.407 3.627 6.020 1.00 0.00 C ATOM 980 C ARG A 65 -0.845 2.867 6.446 1.00 0.00 C ATOM 981 O ARG A 65 -1.159 2.782 7.633 1.00 0.00 O ATOM 982 CB ARG A 65 1.631 3.061 6.744 1.00 0.00 C ATOM 983 CG ARG A 65 2.243 1.854 6.053 1.00 0.00 C ATOM 984 CD ARG A 65 3.183 1.099 6.980 1.00 0.00 C ATOM 985 NE ARG A 65 4.240 1.958 7.506 1.00 0.00 N ATOM 986 CZ ARG A 65 5.311 1.499 8.144 1.00 0.00 C ATOM 987 NH1 ARG A 65 5.465 0.195 8.333 1.00 0.00 N ATOM 988 NH2 ARG A 65 6.230 2.343 8.594 1.00 0.00 N ATOM 0 H ARG A 65 -0.318 5.271 7.101 1.00 0.00 H new ATOM 0 HA ARG A 65 0.539 3.502 4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.386 3.842 6.828 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.346 2.782 7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.451 1.187 5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.787 2.178 5.166 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.614 0.677 7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.630 0.263 6.441 1.00 0.00 H new ATOM 0 HE ARG A 65 4.151 2.966 7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.760 -0.457 7.988 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.288 -0.156 8.823 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.115 3.346 8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.052 1.989 9.084 1.00 0.00 H new ATOM 1002 N PHE A 66 -1.558 2.316 5.469 1.00 0.00 N ATOM 1003 CA PHE A 66 -2.778 1.564 5.742 1.00 0.00 C ATOM 1004 C PHE A 66 -2.494 0.066 5.785 1.00 0.00 C ATOM 1005 O PHE A 66 -1.360 -0.370 5.585 1.00 0.00 O ATOM 1006 CB PHE A 66 -3.836 1.865 4.679 1.00 0.00 C ATOM 1007 CG PHE A 66 -4.235 3.311 4.622 1.00 0.00 C ATOM 1008 CD1 PHE A 66 -3.545 4.203 3.818 1.00 0.00 C ATOM 1009 CD2 PHE A 66 -5.302 3.779 5.372 1.00 0.00 C ATOM 1010 CE1 PHE A 66 -3.910 5.535 3.765 1.00 0.00 C ATOM 1011 CE2 PHE A 66 -5.672 5.110 5.323 1.00 0.00 C ATOM 1012 CZ PHE A 66 -4.975 5.989 4.517 1.00 0.00 C ATOM 0 H PHE A 66 -1.312 2.376 4.481 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.156 1.872 6.717 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.455 1.563 3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.721 1.260 4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.712 3.854 3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.851 3.096 6.003 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.362 6.221 3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.505 5.462 5.914 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.263 7.029 4.475 1.00 0.00 H new ATOM 1022 N LYS A 67 -3.534 -0.719 6.048 1.00 0.00 N ATOM 1023 CA LYS A 67 -3.399 -2.170 6.117 1.00 0.00 C ATOM 1024 C LYS A 67 -4.484 -2.856 5.294 1.00 0.00 C ATOM 1025 O LYS A 67 -5.648 -2.455 5.327 1.00 0.00 O ATOM 1026 CB LYS A 67 -3.473 -2.640 7.572 1.00 0.00 C ATOM 1027 CG LYS A 67 -2.125 -2.672 8.270 1.00 0.00 C ATOM 1028 CD LYS A 67 -2.277 -2.888 9.766 1.00 0.00 C ATOM 1029 CE LYS A 67 -0.966 -3.327 10.402 1.00 0.00 C ATOM 1030 NZ LYS A 67 -0.069 -2.170 10.678 1.00 0.00 N ATOM 0 H LYS A 67 -4.479 -0.375 6.217 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.428 -2.441 5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.143 -1.981 8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.911 -3.637 7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.514 -3.469 7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.598 -1.735 8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.619 -1.965 10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.042 -3.642 9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.173 -3.856 11.332 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.459 -4.030 9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.813 -2.510 11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.149 -1.680 9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.542 -1.511 11.329 1.00 0.00 H new ATOM 1044 N ILE A 68 -4.096 -3.892 4.558 1.00 0.00 N ATOM 1045 CA ILE A 68 -5.036 -4.636 3.729 1.00 0.00 C ATOM 1046 C ILE A 68 -4.893 -6.138 3.947 1.00 0.00 C ATOM 1047 O ILE A 68 -3.836 -6.715 3.691 1.00 0.00 O ATOM 1048 CB ILE A 68 -4.837 -4.324 2.234 1.00 0.00 C ATOM 1049 CG1 ILE A 68 -5.037 -2.830 1.972 1.00 0.00 C ATOM 1050 CG2 ILE A 68 -5.797 -5.148 1.389 1.00 0.00 C ATOM 1051 CD1 ILE A 68 -5.078 -2.475 0.502 1.00 0.00 C ATOM 0 H ILE A 68 -3.136 -4.235 4.519 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.036 -4.322 4.027 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.817 -4.590 1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.967 -2.508 2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.230 -2.274 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.644 -4.917 0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.612 -6.209 1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.823 -4.910 1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.222 -1.400 0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.139 -2.766 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.903 -3.003 0.023 1.00 0.00 H new ATOM 1063 N CYS A 69 -5.964 -6.766 4.419 1.00 0.00 N ATOM 1064 CA CYS A 69 -5.959 -8.203 4.671 1.00 0.00 C ATOM 1065 C CYS A 69 -6.888 -8.928 3.703 1.00 0.00 C ATOM 1066 O CYS A 69 -8.015 -8.503 3.449 1.00 0.00 O ATOM 1067 CB CYS A 69 -6.379 -8.491 6.113 1.00 0.00 C ATOM 1068 SG CYS A 69 -6.346 -10.244 6.555 1.00 0.00 S ATOM 0 H CYS A 69 -6.847 -6.303 4.635 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.945 -8.570 4.516 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.720 -7.945 6.788 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.387 -8.106 6.270 1.00 0.00 H new ATOM 0 HG CYS A 69 -7.038 -10.923 5.689 1.00 0.00 H new ATOM 1074 N PRO A 70 -6.405 -10.049 3.146 1.00 0.00 N ATOM 1075 CA PRO A 70 -7.176 -10.856 2.196 1.00 0.00 C ATOM 1076 C PRO A 70 -8.346 -11.573 2.860 1.00 0.00 C ATOM 1077 O PRO A 70 -8.225 -12.083 3.975 1.00 0.00 O ATOM 1078 CB PRO A 70 -6.152 -11.870 1.679 1.00 0.00 C ATOM 1079 CG PRO A 70 -5.142 -11.977 2.769 1.00 0.00 C ATOM 1080 CD PRO A 70 -5.070 -10.615 3.402 1.00 0.00 C ATOM 0 HA PRO A 70 -7.625 -10.245 1.413 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.618 -12.834 1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.696 -11.533 0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.434 -12.732 3.499 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.171 -12.275 2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.858 -10.679 4.469 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.283 -10.006 2.957 1.00 0.00 H new ATOM 1088 N THR A 71 -9.481 -11.610 2.169 1.00 0.00 N ATOM 1089 CA THR A 71 -10.674 -12.264 2.692 1.00 0.00 C ATOM 1090 C THR A 71 -10.955 -13.567 1.953 1.00 0.00 C ATOM 1091 O THR A 71 -10.655 -13.715 0.768 1.00 0.00 O ATOM 1092 CB THR A 71 -11.909 -11.349 2.584 1.00 0.00 C ATOM 1093 OG1 THR A 71 -12.034 -10.850 1.248 1.00 0.00 O ATOM 1094 CG2 THR A 71 -11.807 -10.186 3.558 1.00 0.00 C ATOM 0 H THR A 71 -9.599 -11.194 1.245 1.00 0.00 H new ATOM 0 HA THR A 71 -10.481 -12.480 3.743 1.00 0.00 H new ATOM 0 HB THR A 71 -12.792 -11.936 2.835 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.247 -11.111 0.726 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.690 -9.554 3.464 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.742 -10.569 4.576 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.916 -9.600 3.333 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.546 -14.537 2.666 1.00 0.00 N ATOM 1103 CA PRO A 72 -11.882 -15.846 2.098 1.00 0.00 C ATOM 1104 C PRO A 72 -13.019 -15.763 1.085 1.00 0.00 C ATOM 1105 O PRO A 72 -13.389 -16.763 0.470 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.312 -16.663 3.318 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.782 -15.651 4.306 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.933 -14.431 4.083 1.00 0.00 C ATOM 0 HA PRO A 72 -11.045 -16.280 1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.105 -17.366 3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.482 -17.248 3.715 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.838 -15.424 4.160 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.674 -16.021 5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.488 -13.514 4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.062 -14.423 4.738 1.00 0.00 H new ATOM 1116 N ASN A 73 -13.569 -14.565 0.915 1.00 0.00 N ATOM 1117 CA ASN A 73 -14.664 -14.352 -0.024 1.00 0.00 C ATOM 1118 C ASN A 73 -14.175 -13.630 -1.276 1.00 0.00 C ATOM 1119 O ASN A 73 -14.761 -12.635 -1.699 1.00 0.00 O ATOM 1120 CB ASN A 73 -15.783 -13.546 0.639 1.00 0.00 C ATOM 1121 CG ASN A 73 -15.256 -12.566 1.669 1.00 0.00 C ATOM 1122 OD1 ASN A 73 -14.905 -11.432 1.341 1.00 0.00 O ATOM 1123 ND2 ASN A 73 -15.199 -12.999 2.923 1.00 0.00 N ATOM 0 H ASN A 73 -13.274 -13.727 1.416 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.053 -15.327 -0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -16.338 -13.002 -0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.485 -14.229 1.117 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -14.854 -12.384 3.660 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -15.500 -13.947 3.149 1.00 0.00 H new ATOM 1130 N ASN A 74 -13.097 -14.140 -1.863 1.00 0.00 N ATOM 1131 CA ASN A 74 -12.529 -13.544 -3.067 1.00 0.00 C ATOM 1132 C ASN A 74 -12.626 -12.022 -3.018 1.00 0.00 C ATOM 1133 O ASN A 74 -13.117 -11.393 -3.955 1.00 0.00 O ATOM 1134 CB ASN A 74 -13.246 -14.073 -4.311 1.00 0.00 C ATOM 1135 CG ASN A 74 -13.039 -15.563 -4.507 1.00 0.00 C ATOM 1136 OD1 ASN A 74 -11.911 -16.030 -4.659 1.00 0.00 O ATOM 1137 ND2 ASN A 74 -14.133 -16.316 -4.504 1.00 0.00 N ATOM 0 H ASN A 74 -12.600 -14.964 -1.525 1.00 0.00 H new ATOM 0 HA ASN A 74 -11.476 -13.822 -3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.313 -13.865 -4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.884 -13.540 -5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.058 -17.325 -4.631 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.048 -15.885 -4.374 1.00 0.00 H new ATOM 1144 N GLN A 75 -12.155 -11.439 -1.921 1.00 0.00 N ATOM 1145 CA GLN A 75 -12.189 -9.991 -1.751 1.00 0.00 C ATOM 1146 C GLN A 75 -11.047 -9.521 -0.857 1.00 0.00 C ATOM 1147 O GLN A 75 -10.199 -10.314 -0.446 1.00 0.00 O ATOM 1148 CB GLN A 75 -13.530 -9.558 -1.156 1.00 0.00 C ATOM 1149 CG GLN A 75 -14.667 -9.544 -2.165 1.00 0.00 C ATOM 1150 CD GLN A 75 -15.965 -9.030 -1.574 1.00 0.00 C ATOM 1151 OE1 GLN A 75 -15.997 -8.547 -0.441 1.00 0.00 O ATOM 1152 NE2 GLN A 75 -17.046 -9.132 -2.339 1.00 0.00 N ATOM 0 H GLN A 75 -11.745 -11.946 -1.137 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.070 -9.532 -2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.789 -10.230 -0.338 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.423 -8.561 -0.728 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.387 -8.920 -3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.821 -10.553 -2.548 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.974 -9.539 -3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.948 -8.804 -1.994 1.00 0.00 H new ATOM 1161 N PHE A 76 -11.030 -8.226 -0.559 1.00 0.00 N ATOM 1162 CA PHE A 76 -9.991 -7.649 0.285 1.00 0.00 C ATOM 1163 C PHE A 76 -10.603 -6.824 1.414 1.00 0.00 C ATOM 1164 O PHE A 76 -11.761 -6.414 1.340 1.00 0.00 O ATOM 1165 CB PHE A 76 -9.052 -6.775 -0.549 1.00 0.00 C ATOM 1166 CG PHE A 76 -8.034 -7.559 -1.325 1.00 0.00 C ATOM 1167 CD1 PHE A 76 -8.339 -8.068 -2.578 1.00 0.00 C ATOM 1168 CD2 PHE A 76 -6.771 -7.788 -0.803 1.00 0.00 C ATOM 1169 CE1 PHE A 76 -7.404 -8.791 -3.293 1.00 0.00 C ATOM 1170 CE2 PHE A 76 -5.831 -8.510 -1.514 1.00 0.00 C ATOM 1171 CZ PHE A 76 -6.148 -9.012 -2.762 1.00 0.00 C ATOM 0 H PHE A 76 -11.725 -7.556 -0.890 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.420 -8.467 0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.645 -6.178 -1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.536 -6.078 0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.318 -7.897 -3.000 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.518 -7.397 0.172 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.655 -9.184 -4.267 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.850 -8.682 -1.095 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.416 -9.576 -3.321 1.00 0.00 H new ATOM 1181 N MET A 77 -9.816 -6.586 2.459 1.00 0.00 N ATOM 1182 CA MET A 77 -10.280 -5.811 3.603 1.00 0.00 C ATOM 1183 C MET A 77 -9.440 -4.549 3.781 1.00 0.00 C ATOM 1184 O MET A 77 -8.232 -4.623 4.001 1.00 0.00 O ATOM 1185 CB MET A 77 -10.225 -6.657 4.876 1.00 0.00 C ATOM 1186 CG MET A 77 -11.506 -7.428 5.149 1.00 0.00 C ATOM 1187 SD MET A 77 -11.285 -8.731 6.376 1.00 0.00 S ATOM 1188 CE MET A 77 -10.741 -7.776 7.790 1.00 0.00 C ATOM 0 H MET A 77 -8.855 -6.919 2.536 1.00 0.00 H new ATOM 0 HA MET A 77 -11.313 -5.516 3.416 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.396 -7.361 4.799 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.014 -6.007 5.725 1.00 0.00 H new ATOM 0 HG2 MET A 77 -12.275 -6.737 5.494 1.00 0.00 H new ATOM 0 HG3 MET A 77 -11.866 -7.868 4.219 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.733 -8.410 8.676 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.736 -7.395 7.607 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.422 -6.940 7.948 1.00 0.00 H new ATOM 1198 N MET A 78 -10.089 -3.394 3.683 1.00 0.00 N ATOM 1199 CA MET A 78 -9.402 -2.116 3.834 1.00 0.00 C ATOM 1200 C MET A 78 -10.049 -1.277 4.931 1.00 0.00 C ATOM 1201 O MET A 78 -10.896 -0.428 4.658 1.00 0.00 O ATOM 1202 CB MET A 78 -9.414 -1.346 2.512 1.00 0.00 C ATOM 1203 CG MET A 78 -8.252 -0.379 2.361 1.00 0.00 C ATOM 1204 SD MET A 78 -8.139 0.789 3.730 1.00 0.00 S ATOM 1205 CE MET A 78 -7.296 2.157 2.939 1.00 0.00 C ATOM 0 H MET A 78 -11.089 -3.316 3.500 1.00 0.00 H new ATOM 0 HA MET A 78 -8.369 -2.319 4.118 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.393 -2.058 1.687 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.349 -0.792 2.432 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.322 -0.943 2.292 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.361 0.172 1.427 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.401 3.052 3.552 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.239 1.917 2.826 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.734 2.336 1.957 1.00 0.00 H new ATOM 1215 N GLY A 79 -9.644 -1.521 6.174 1.00 0.00 N ATOM 1216 CA GLY A 79 -10.195 -0.780 7.293 1.00 0.00 C ATOM 1217 C GLY A 79 -11.554 -1.298 7.718 1.00 0.00 C ATOM 1218 O GLY A 79 -12.547 -0.574 7.664 1.00 0.00 O ATOM 0 H GLY A 79 -8.944 -2.219 6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.507 -0.838 8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.279 0.272 7.022 1.00 0.00 H new ATOM 1222 N GLY A 80 -11.600 -2.557 8.142 1.00 0.00 N ATOM 1223 CA GLY A 80 -12.853 -3.151 8.570 1.00 0.00 C ATOM 1224 C GLY A 80 -13.941 -3.028 7.522 1.00 0.00 C ATOM 1225 O GLY A 80 -15.103 -2.787 7.848 1.00 0.00 O ATOM 0 H GLY A 80 -10.792 -3.177 8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.692 -4.204 8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.184 -2.670 9.491 1.00 0.00 H new ATOM 1229 N ARG A 81 -13.564 -3.193 6.258 1.00 0.00 N ATOM 1230 CA ARG A 81 -14.516 -3.097 5.158 1.00 0.00 C ATOM 1231 C ARG A 81 -14.312 -4.234 4.161 1.00 0.00 C ATOM 1232 O ARG A 81 -13.321 -4.961 4.228 1.00 0.00 O ATOM 1233 CB ARG A 81 -14.372 -1.749 4.448 1.00 0.00 C ATOM 1234 CG ARG A 81 -14.806 -0.565 5.296 1.00 0.00 C ATOM 1235 CD ARG A 81 -14.124 0.719 4.850 1.00 0.00 C ATOM 1236 NE ARG A 81 -14.682 1.894 5.513 1.00 0.00 N ATOM 1237 CZ ARG A 81 -14.103 3.090 5.500 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -12.955 3.267 4.862 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -14.673 4.111 6.127 1.00 0.00 N ATOM 0 H ARG A 81 -12.606 -3.394 5.971 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.521 -3.177 5.572 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.331 -1.612 4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.963 -1.765 3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.887 -0.446 5.230 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.570 -0.759 6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.057 0.655 5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.228 0.828 3.770 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.565 1.791 6.014 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.514 2.484 4.379 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.513 4.186 4.854 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.556 3.978 6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.228 5.029 6.117 1.00 0.00 H new ATOM 1253 N TYR A 82 -15.255 -4.380 3.237 1.00 0.00 N ATOM 1254 CA TYR A 82 -15.180 -5.430 2.228 1.00 0.00 C ATOM 1255 C TYR A 82 -15.434 -4.865 0.834 1.00 0.00 C ATOM 1256 O TYR A 82 -16.410 -4.148 0.611 1.00 0.00 O ATOM 1257 CB TYR A 82 -16.193 -6.534 2.535 1.00 0.00 C ATOM 1258 CG TYR A 82 -16.292 -6.875 4.005 1.00 0.00 C ATOM 1259 CD1 TYR A 82 -15.161 -7.217 4.736 1.00 0.00 C ATOM 1260 CD2 TYR A 82 -17.516 -6.854 4.662 1.00 0.00 C ATOM 1261 CE1 TYR A 82 -15.246 -7.529 6.079 1.00 0.00 C ATOM 1262 CE2 TYR A 82 -17.610 -7.164 6.005 1.00 0.00 C ATOM 1263 CZ TYR A 82 -16.473 -7.501 6.709 1.00 0.00 C ATOM 1264 OH TYR A 82 -16.563 -7.811 8.047 1.00 0.00 O ATOM 0 H TYR A 82 -16.080 -3.785 3.166 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.175 -5.851 2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -17.175 -6.225 2.176 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.919 -7.431 1.980 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.199 -7.239 4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -18.409 -6.591 4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.357 -7.793 6.633 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -18.569 -7.143 6.501 1.00 0.00 H new ATOM 0 HH TYR A 82 -17.497 -7.743 8.337 1.00 0.00 H new ATOM 1274 N TYR A 83 -14.549 -5.193 -0.100 1.00 0.00 N ATOM 1275 CA TYR A 83 -14.674 -4.718 -1.473 1.00 0.00 C ATOM 1276 C TYR A 83 -14.351 -5.829 -2.466 1.00 0.00 C ATOM 1277 O TYR A 83 -13.505 -6.683 -2.205 1.00 0.00 O ATOM 1278 CB TYR A 83 -13.748 -3.523 -1.707 1.00 0.00 C ATOM 1279 CG TYR A 83 -14.097 -2.313 -0.871 1.00 0.00 C ATOM 1280 CD1 TYR A 83 -13.629 -2.185 0.431 1.00 0.00 C ATOM 1281 CD2 TYR A 83 -14.896 -1.297 -1.383 1.00 0.00 C ATOM 1282 CE1 TYR A 83 -13.946 -1.081 1.199 1.00 0.00 C ATOM 1283 CE2 TYR A 83 -15.217 -0.190 -0.622 1.00 0.00 C ATOM 1284 CZ TYR A 83 -14.740 -0.086 0.668 1.00 0.00 C ATOM 1285 OH TYR A 83 -15.058 1.015 1.429 1.00 0.00 O ATOM 0 H TYR A 83 -13.737 -5.786 0.068 1.00 0.00 H new ATOM 0 HA TYR A 83 -15.706 -4.406 -1.630 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -12.722 -3.821 -1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -13.783 -3.248 -2.761 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.007 -2.962 0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -15.272 -1.375 -2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -13.574 -0.998 2.210 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -15.839 0.591 -1.035 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.623 1.622 0.907 1.00 0.00 H new ATOM 1295 N ASN A 84 -15.031 -5.810 -3.608 1.00 0.00 N ATOM 1296 CA ASN A 84 -14.817 -6.816 -4.642 1.00 0.00 C ATOM 1297 C ASN A 84 -13.331 -7.122 -4.804 1.00 0.00 C ATOM 1298 O ASN A 84 -12.925 -8.284 -4.830 1.00 0.00 O ATOM 1299 CB ASN A 84 -15.399 -6.340 -5.974 1.00 0.00 C ATOM 1300 CG ASN A 84 -15.421 -7.437 -7.021 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -16.469 -8.013 -7.310 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -14.259 -7.730 -7.595 1.00 0.00 N ATOM 0 H ASN A 84 -15.735 -5.109 -3.841 1.00 0.00 H new ATOM 0 HA ASN A 84 -15.327 -7.730 -4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.413 -5.974 -5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.812 -5.500 -6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.211 -8.459 -8.307 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.415 -7.226 -7.324 1.00 0.00 H new ATOM 1309 N SER A 85 -12.524 -6.071 -4.912 1.00 0.00 N ATOM 1310 CA SER A 85 -11.083 -6.227 -5.074 1.00 0.00 C ATOM 1311 C SER A 85 -10.379 -4.876 -4.997 1.00 0.00 C ATOM 1312 O SER A 85 -10.990 -3.831 -5.223 1.00 0.00 O ATOM 1313 CB SER A 85 -10.770 -6.902 -6.411 1.00 0.00 C ATOM 1314 OG SER A 85 -10.826 -8.313 -6.294 1.00 0.00 O ATOM 0 H SER A 85 -12.844 -5.103 -4.890 1.00 0.00 H new ATOM 0 HA SER A 85 -10.716 -6.855 -4.262 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.481 -6.568 -7.166 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.779 -6.601 -6.751 1.00 0.00 H new ATOM 0 HG SER A 85 -11.444 -8.557 -5.574 1.00 0.00 H new ATOM 1320 N ILE A 86 -9.090 -4.905 -4.675 1.00 0.00 N ATOM 1321 CA ILE A 86 -8.301 -3.684 -4.568 1.00 0.00 C ATOM 1322 C ILE A 86 -8.756 -2.645 -5.588 1.00 0.00 C ATOM 1323 O ILE A 86 -9.041 -1.501 -5.238 1.00 0.00 O ATOM 1324 CB ILE A 86 -6.801 -3.964 -4.771 1.00 0.00 C ATOM 1325 CG1 ILE A 86 -6.252 -4.793 -3.608 1.00 0.00 C ATOM 1326 CG2 ILE A 86 -6.032 -2.658 -4.907 1.00 0.00 C ATOM 1327 CD1 ILE A 86 -4.924 -5.451 -3.909 1.00 0.00 C ATOM 0 H ILE A 86 -8.570 -5.761 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.456 -3.294 -3.562 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.675 -4.535 -5.691 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.140 -4.150 -2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.978 -5.562 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.973 -2.873 -5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.409 -2.102 -5.765 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.163 -2.063 -4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.596 -6.022 -3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.035 -6.120 -4.762 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.183 -4.686 -4.142 1.00 0.00 H new ATOM 1339 N GLY A 87 -8.823 -3.054 -6.851 1.00 0.00 N ATOM 1340 CA GLY A 87 -9.246 -2.147 -7.903 1.00 0.00 C ATOM 1341 C GLY A 87 -10.490 -1.366 -7.529 1.00 0.00 C ATOM 1342 O GLY A 87 -10.556 -0.154 -7.738 1.00 0.00 O ATOM 0 H GLY A 87 -8.592 -3.997 -7.165 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.437 -1.451 -8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.437 -2.715 -8.813 1.00 0.00 H new ATOM 1346 N ASP A 88 -11.478 -2.060 -6.976 1.00 0.00 N ATOM 1347 CA ASP A 88 -12.727 -1.423 -6.573 1.00 0.00 C ATOM 1348 C ASP A 88 -12.487 -0.415 -5.453 1.00 0.00 C ATOM 1349 O ASP A 88 -12.856 0.754 -5.567 1.00 0.00 O ATOM 1350 CB ASP A 88 -13.738 -2.477 -6.119 1.00 0.00 C ATOM 1351 CG ASP A 88 -14.362 -3.220 -7.283 1.00 0.00 C ATOM 1352 OD1 ASP A 88 -13.606 -3.779 -8.105 1.00 0.00 O ATOM 1353 OD2 ASP A 88 -15.608 -3.244 -7.373 1.00 0.00 O ATOM 0 H ASP A 88 -11.439 -3.063 -6.796 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.130 -0.892 -7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.243 -3.190 -5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.523 -1.996 -5.536 1.00 0.00 H new ATOM 1358 N ILE A 89 -11.866 -0.877 -4.372 1.00 0.00 N ATOM 1359 CA ILE A 89 -11.577 -0.015 -3.233 1.00 0.00 C ATOM 1360 C ILE A 89 -11.195 1.389 -3.688 1.00 0.00 C ATOM 1361 O ILE A 89 -11.458 2.371 -2.992 1.00 0.00 O ATOM 1362 CB ILE A 89 -10.439 -0.589 -2.368 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -10.907 -1.856 -1.647 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -9.960 0.450 -1.365 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.780 -2.642 -1.014 1.00 0.00 C ATOM 0 H ILE A 89 -11.554 -1.842 -4.262 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.488 0.035 -2.636 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.604 -0.850 -3.019 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.626 -1.581 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.431 -2.496 -2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.156 0.029 -0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.593 1.328 -1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.787 0.739 -0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.185 -3.526 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.072 -2.948 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.270 -2.019 -0.280 1.00 0.00 H new ATOM 1377 N ILE A 90 -10.575 1.477 -4.860 1.00 0.00 N ATOM 1378 CA ILE A 90 -10.160 2.762 -5.409 1.00 0.00 C ATOM 1379 C ILE A 90 -11.363 3.576 -5.874 1.00 0.00 C ATOM 1380 O ILE A 90 -11.631 4.659 -5.353 1.00 0.00 O ATOM 1381 CB ILE A 90 -9.189 2.581 -6.591 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -7.972 1.762 -6.159 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -8.758 3.936 -7.134 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -7.045 1.408 -7.301 1.00 0.00 C ATOM 0 H ILE A 90 -10.349 0.674 -5.447 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.650 3.298 -4.608 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.703 2.040 -7.385 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.414 2.323 -5.410 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.313 0.844 -5.681 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.072 3.792 -7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.635 4.487 -7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.258 4.501 -6.347 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.205 0.827 -6.921 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.587 0.819 -8.041 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.674 2.322 -7.765 1.00 0.00 H new ATOM 1396 N ASP A 91 -12.085 3.046 -6.855 1.00 0.00 N ATOM 1397 CA ASP A 91 -13.263 3.722 -7.388 1.00 0.00 C ATOM 1398 C ASP A 91 -14.165 4.213 -6.260 1.00 0.00 C ATOM 1399 O ASP A 91 -14.745 5.296 -6.342 1.00 0.00 O ATOM 1400 CB ASP A 91 -14.042 2.783 -8.309 1.00 0.00 C ATOM 1401 CG ASP A 91 -13.568 2.857 -9.747 1.00 0.00 C ATOM 1402 OD1 ASP A 91 -12.352 2.694 -9.979 1.00 0.00 O ATOM 1403 OD2 ASP A 91 -14.412 3.078 -10.641 1.00 0.00 O ATOM 0 H ASP A 91 -11.876 2.151 -7.297 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.928 4.586 -7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -13.941 1.759 -7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -15.102 3.033 -8.266 1.00 0.00 H new ATOM 1408 N HIS A 92 -14.279 3.409 -5.208 1.00 0.00 N ATOM 1409 CA HIS A 92 -15.111 3.761 -4.063 1.00 0.00 C ATOM 1410 C HIS A 92 -14.567 5.000 -3.356 1.00 0.00 C ATOM 1411 O HIS A 92 -15.322 5.905 -3.000 1.00 0.00 O ATOM 1412 CB HIS A 92 -15.187 2.592 -3.081 1.00 0.00 C ATOM 1413 CG HIS A 92 -16.318 2.701 -2.105 1.00 0.00 C ATOM 1414 ND1 HIS A 92 -16.274 3.512 -0.991 1.00 0.00 N ATOM 1415 CD2 HIS A 92 -17.529 2.098 -2.083 1.00 0.00 C ATOM 1416 CE1 HIS A 92 -17.409 3.401 -0.324 1.00 0.00 C ATOM 1417 NE2 HIS A 92 -18.188 2.549 -0.965 1.00 0.00 N ATOM 0 H HIS A 92 -13.806 2.509 -5.125 1.00 0.00 H new ATOM 0 HA HIS A 92 -16.113 3.983 -4.429 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -15.291 1.663 -3.642 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -14.248 2.529 -2.531 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -17.907 1.393 -2.809 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -17.658 3.919 0.590 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -19.126 2.271 -0.677 1.00 0.00 H new ATOM 1425 N TYR A 93 -13.255 5.032 -3.157 1.00 0.00 N ATOM 1426 CA TYR A 93 -12.610 6.157 -2.490 1.00 0.00 C ATOM 1427 C TYR A 93 -12.674 7.412 -3.355 1.00 0.00 C ATOM 1428 O TYR A 93 -12.733 8.530 -2.843 1.00 0.00 O ATOM 1429 CB TYR A 93 -11.153 5.820 -2.168 1.00 0.00 C ATOM 1430 CG TYR A 93 -10.979 5.065 -0.870 1.00 0.00 C ATOM 1431 CD1 TYR A 93 -11.514 5.551 0.317 1.00 0.00 C ATOM 1432 CD2 TYR A 93 -10.281 3.865 -0.830 1.00 0.00 C ATOM 1433 CE1 TYR A 93 -11.357 4.865 1.505 1.00 0.00 C ATOM 1434 CE2 TYR A 93 -10.120 3.171 0.354 1.00 0.00 C ATOM 1435 CZ TYR A 93 -10.659 3.675 1.518 1.00 0.00 C ATOM 1436 OH TYR A 93 -10.501 2.988 2.700 1.00 0.00 O ATOM 0 H TYR A 93 -12.616 4.292 -3.448 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.145 6.350 -1.560 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.738 5.226 -2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.577 6.744 -2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.062 6.482 0.310 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.857 3.467 -1.740 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.778 5.258 2.419 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.575 2.239 0.367 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.946 2.195 2.546 1.00 0.00 H new ATOM 1446 N ARG A 94 -12.663 7.218 -4.670 1.00 0.00 N ATOM 1447 CA ARG A 94 -12.719 8.333 -5.608 1.00 0.00 C ATOM 1448 C ARG A 94 -13.876 9.269 -5.270 1.00 0.00 C ATOM 1449 O ARG A 94 -13.763 10.488 -5.409 1.00 0.00 O ATOM 1450 CB ARG A 94 -12.868 7.816 -7.040 1.00 0.00 C ATOM 1451 CG ARG A 94 -11.592 7.217 -7.607 1.00 0.00 C ATOM 1452 CD ARG A 94 -11.744 6.874 -9.081 1.00 0.00 C ATOM 1453 NE ARG A 94 -11.450 8.016 -9.942 1.00 0.00 N ATOM 1454 CZ ARG A 94 -11.660 8.021 -11.254 1.00 0.00 C ATOM 1455 NH1 ARG A 94 -12.162 6.950 -11.852 1.00 0.00 N ATOM 1456 NH2 ARG A 94 -11.367 9.099 -11.970 1.00 0.00 N ATOM 0 H ARG A 94 -12.616 6.299 -5.110 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.786 8.891 -5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.655 7.063 -7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.191 8.636 -7.682 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.770 7.921 -7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.331 6.318 -7.048 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.077 6.050 -9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.761 6.530 -9.270 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.062 8.856 -9.513 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.388 6.119 -11.305 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.322 6.956 -12.859 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.980 9.925 -11.513 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.529 9.102 -12.977 1.00 0.00 H new ATOM 1470 N LYS A 95 -14.987 8.692 -4.827 1.00 0.00 N ATOM 1471 CA LYS A 95 -16.165 9.473 -4.469 1.00 0.00 C ATOM 1472 C LYS A 95 -16.244 9.677 -2.959 1.00 0.00 C ATOM 1473 O LYS A 95 -17.029 10.492 -2.475 1.00 0.00 O ATOM 1474 CB LYS A 95 -17.434 8.778 -4.968 1.00 0.00 C ATOM 1475 CG LYS A 95 -17.588 8.804 -6.479 1.00 0.00 C ATOM 1476 CD LYS A 95 -18.371 7.602 -6.980 1.00 0.00 C ATOM 1477 CE LYS A 95 -19.001 7.874 -8.337 1.00 0.00 C ATOM 1478 NZ LYS A 95 -19.718 6.681 -8.865 1.00 0.00 N ATOM 0 H LYS A 95 -15.097 7.685 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 95 -16.082 10.450 -4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.428 7.742 -4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -18.302 9.256 -4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -18.096 9.721 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -16.603 8.818 -6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.709 6.739 -7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -19.149 7.348 -6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.697 8.708 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -18.227 8.174 -9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -20.133 6.907 -9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -19.049 5.892 -8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -20.474 6.409 -8.204 1.00 0.00 H new ATOM 1492 N GLU A 96 -15.426 8.933 -2.222 1.00 0.00 N ATOM 1493 CA GLU A 96 -15.404 9.033 -0.768 1.00 0.00 C ATOM 1494 C GLU A 96 -13.991 9.311 -0.263 1.00 0.00 C ATOM 1495 O GLU A 96 -13.088 8.494 -0.437 1.00 0.00 O ATOM 1496 CB GLU A 96 -15.939 7.746 -0.137 1.00 0.00 C ATOM 1497 CG GLU A 96 -17.455 7.644 -0.156 1.00 0.00 C ATOM 1498 CD GLU A 96 -18.106 8.424 0.970 1.00 0.00 C ATOM 1499 OE1 GLU A 96 -17.639 8.303 2.122 1.00 0.00 O ATOM 1500 OE2 GLU A 96 -19.082 9.154 0.699 1.00 0.00 O ATOM 0 H GLU A 96 -14.770 8.254 -2.608 1.00 0.00 H new ATOM 0 HA GLU A 96 -16.046 9.865 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.519 6.890 -0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.592 7.685 0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.828 8.012 -1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.746 6.596 -0.083 1.00 0.00 H new ATOM 1507 N GLN A 97 -13.810 10.470 0.362 1.00 0.00 N ATOM 1508 CA GLN A 97 -12.507 10.856 0.891 1.00 0.00 C ATOM 1509 C GLN A 97 -11.957 9.781 1.822 1.00 0.00 C ATOM 1510 O GLN A 97 -12.486 9.560 2.912 1.00 0.00 O ATOM 1511 CB GLN A 97 -12.610 12.188 1.636 1.00 0.00 C ATOM 1512 CG GLN A 97 -13.094 13.336 0.765 1.00 0.00 C ATOM 1513 CD GLN A 97 -13.249 14.631 1.539 1.00 0.00 C ATOM 1514 OE1 GLN A 97 -14.107 14.745 2.414 1.00 0.00 O ATOM 1515 NE2 GLN A 97 -12.416 15.615 1.220 1.00 0.00 N ATOM 0 H GLN A 97 -14.548 11.157 0.514 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.821 10.969 0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -13.290 12.071 2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.633 12.442 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.390 13.488 -0.053 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.051 13.068 0.317 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.720 15.476 0.488 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.473 16.509 1.707 1.00 0.00 H new ATOM 1524 N ILE A 98 -10.893 9.115 1.386 1.00 0.00 N ATOM 1525 CA ILE A 98 -10.272 8.063 2.181 1.00 0.00 C ATOM 1526 C ILE A 98 -9.742 8.612 3.501 1.00 0.00 C ATOM 1527 O ILE A 98 -9.791 7.939 4.531 1.00 0.00 O ATOM 1528 CB ILE A 98 -9.117 7.388 1.418 1.00 0.00 C ATOM 1529 CG1 ILE A 98 -8.383 6.402 2.329 1.00 0.00 C ATOM 1530 CG2 ILE A 98 -8.155 8.436 0.879 1.00 0.00 C ATOM 1531 CD1 ILE A 98 -7.483 5.443 1.580 1.00 0.00 C ATOM 0 H ILE A 98 -10.443 9.285 0.487 1.00 0.00 H new ATOM 0 HA ILE A 98 -11.045 7.322 2.383 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.532 6.835 0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.786 6.961 3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -9.116 5.830 2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.344 7.944 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.687 9.103 0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -7.744 9.013 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -6.995 4.774 2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.078 4.858 0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.727 6.006 1.033 1.00 0.00 H new ATOM 1543 N VAL A 99 -9.236 9.841 3.464 1.00 0.00 N ATOM 1544 CA VAL A 99 -8.699 10.483 4.658 1.00 0.00 C ATOM 1545 C VAL A 99 -9.659 11.540 5.193 1.00 0.00 C ATOM 1546 O VAL A 99 -10.720 11.777 4.615 1.00 0.00 O ATOM 1547 CB VAL A 99 -7.335 11.141 4.377 1.00 0.00 C ATOM 1548 CG1 VAL A 99 -6.510 11.227 5.652 1.00 0.00 C ATOM 1549 CG2 VAL A 99 -6.586 10.372 3.299 1.00 0.00 C ATOM 0 H VAL A 99 -9.187 10.412 2.620 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.570 9.701 5.406 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.508 12.155 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.550 11.695 5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.044 11.824 6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.344 10.224 6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.624 10.850 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.423 9.346 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.173 10.368 2.381 1.00 0.00 H new ATOM 1559 N GLU A 100 -9.279 12.172 6.299 1.00 0.00 N ATOM 1560 CA GLU A 100 -10.108 13.203 6.911 1.00 0.00 C ATOM 1561 C GLU A 100 -10.839 14.017 5.847 1.00 0.00 C ATOM 1562 O GLU A 100 -11.951 14.494 6.070 1.00 0.00 O ATOM 1563 CB GLU A 100 -9.251 14.129 7.778 1.00 0.00 C ATOM 1564 CG GLU A 100 -8.295 14.998 6.978 1.00 0.00 C ATOM 1565 CD GLU A 100 -7.335 15.773 7.860 1.00 0.00 C ATOM 1566 OE1 GLU A 100 -7.786 16.329 8.884 1.00 0.00 O ATOM 1567 OE2 GLU A 100 -6.133 15.824 7.527 1.00 0.00 O ATOM 0 H GLU A 100 -8.403 11.988 6.789 1.00 0.00 H new ATOM 0 HA GLU A 100 -10.850 12.711 7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.906 14.771 8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.678 13.526 8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -7.726 14.370 6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.868 15.697 6.369 1.00 0.00 H new ATOM 1574 N GLY A 101 -10.205 14.171 4.689 1.00 0.00 N ATOM 1575 CA GLY A 101 -10.808 14.928 3.607 1.00 0.00 C ATOM 1576 C GLY A 101 -9.921 14.993 2.380 1.00 0.00 C ATOM 1577 O GLY A 101 -9.668 16.073 1.845 1.00 0.00 O ATOM 0 H GLY A 101 -9.284 13.785 4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.762 14.474 3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.022 15.940 3.951 1.00 0.00 H new ATOM 1581 N TYR A 102 -9.448 13.835 1.933 1.00 0.00 N ATOM 1582 CA TYR A 102 -8.580 13.765 0.762 1.00 0.00 C ATOM 1583 C TYR A 102 -9.131 12.782 -0.266 1.00 0.00 C ATOM 1584 O TYR A 102 -9.728 11.766 0.088 1.00 0.00 O ATOM 1585 CB TYR A 102 -7.166 13.352 1.174 1.00 0.00 C ATOM 1586 CG TYR A 102 -6.267 14.521 1.508 1.00 0.00 C ATOM 1587 CD1 TYR A 102 -6.354 15.161 2.738 1.00 0.00 C ATOM 1588 CD2 TYR A 102 -5.329 14.984 0.593 1.00 0.00 C ATOM 1589 CE1 TYR A 102 -5.534 16.229 3.047 1.00 0.00 C ATOM 1590 CE2 TYR A 102 -4.505 16.051 0.894 1.00 0.00 C ATOM 1591 CZ TYR A 102 -4.611 16.670 2.122 1.00 0.00 C ATOM 1592 OH TYR A 102 -3.792 17.734 2.426 1.00 0.00 O ATOM 0 H TYR A 102 -9.650 12.932 2.363 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.544 14.755 0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.227 12.692 2.040 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.715 12.777 0.366 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -7.075 14.818 3.465 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.243 14.502 -0.369 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.615 16.716 4.008 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.781 16.399 0.172 1.00 0.00 H new ATOM 0 HH TYR A 102 -3.199 17.917 1.668 1.00 0.00 H new ATOM 1602 N TYR A 103 -8.924 13.092 -1.541 1.00 0.00 N ATOM 1603 CA TYR A 103 -9.401 12.238 -2.622 1.00 0.00 C ATOM 1604 C TYR A 103 -8.233 11.671 -3.423 1.00 0.00 C ATOM 1605 O TYR A 103 -7.140 12.239 -3.437 1.00 0.00 O ATOM 1606 CB TYR A 103 -10.335 13.022 -3.546 1.00 0.00 C ATOM 1607 CG TYR A 103 -11.746 13.144 -3.018 1.00 0.00 C ATOM 1608 CD1 TYR A 103 -12.532 12.017 -2.813 1.00 0.00 C ATOM 1609 CD2 TYR A 103 -12.294 14.387 -2.724 1.00 0.00 C ATOM 1610 CE1 TYR A 103 -13.823 12.125 -2.332 1.00 0.00 C ATOM 1611 CE2 TYR A 103 -13.583 14.504 -2.241 1.00 0.00 C ATOM 1612 CZ TYR A 103 -14.343 13.370 -2.047 1.00 0.00 C ATOM 1613 OH TYR A 103 -15.628 13.481 -1.566 1.00 0.00 O ATOM 0 H TYR A 103 -8.429 13.928 -1.851 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.952 11.408 -2.179 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -9.926 14.021 -3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.362 12.535 -4.521 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -12.127 11.040 -3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -11.702 15.277 -2.876 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.422 11.239 -2.180 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -13.993 15.478 -2.017 1.00 0.00 H new ATOM 0 HH TYR A 103 -15.840 14.426 -1.415 1.00 0.00 H new ATOM 1623 N LEU A 104 -8.472 10.548 -4.090 1.00 0.00 N ATOM 1624 CA LEU A 104 -7.442 9.902 -4.896 1.00 0.00 C ATOM 1625 C LEU A 104 -7.423 10.468 -6.312 1.00 0.00 C ATOM 1626 O LEU A 104 -8.133 9.986 -7.195 1.00 0.00 O ATOM 1627 CB LEU A 104 -7.675 8.391 -4.942 1.00 0.00 C ATOM 1628 CG LEU A 104 -7.541 7.650 -3.610 1.00 0.00 C ATOM 1629 CD1 LEU A 104 -8.010 6.210 -3.751 1.00 0.00 C ATOM 1630 CD2 LEU A 104 -6.103 7.699 -3.115 1.00 0.00 C ATOM 0 H LEU A 104 -9.371 10.065 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.476 10.101 -4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.675 8.210 -5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.969 7.956 -5.649 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.174 8.146 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.907 5.699 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.055 6.196 -4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.404 5.702 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.026 7.167 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.449 7.228 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.802 8.737 -2.974 1.00 0.00 H new ATOM 1642 N LYS A 105 -6.604 11.493 -6.523 1.00 0.00 N ATOM 1643 CA LYS A 105 -6.489 12.124 -7.832 1.00 0.00 C ATOM 1644 C LYS A 105 -6.001 11.125 -8.877 1.00 0.00 C ATOM 1645 O LYS A 105 -6.753 10.726 -9.765 1.00 0.00 O ATOM 1646 CB LYS A 105 -5.531 13.315 -7.765 1.00 0.00 C ATOM 1647 CG LYS A 105 -6.212 14.623 -7.399 1.00 0.00 C ATOM 1648 CD LYS A 105 -5.493 15.815 -8.008 1.00 0.00 C ATOM 1649 CE LYS A 105 -6.018 17.128 -7.448 1.00 0.00 C ATOM 1650 NZ LYS A 105 -5.714 18.276 -8.347 1.00 0.00 N ATOM 0 H LYS A 105 -6.010 11.904 -5.803 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.478 12.477 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.752 13.103 -7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.038 13.429 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.246 14.605 -7.744 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.240 14.729 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.424 15.736 -7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.620 15.803 -9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.096 17.056 -7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.576 17.307 -6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.088 19.152 -7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -4.684 18.361 -8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.157 18.117 -9.274 1.00 0.00 H new ATOM 1664 N GLU A 106 -4.738 10.724 -8.761 1.00 0.00 N ATOM 1665 CA GLU A 106 -4.152 9.771 -9.696 1.00 0.00 C ATOM 1666 C GLU A 106 -3.075 8.932 -9.014 1.00 0.00 C ATOM 1667 O GLU A 106 -2.308 9.418 -8.182 1.00 0.00 O ATOM 1668 CB GLU A 106 -3.557 10.503 -10.900 1.00 0.00 C ATOM 1669 CG GLU A 106 -2.371 11.387 -10.550 1.00 0.00 C ATOM 1670 CD GLU A 106 -1.664 11.928 -11.777 1.00 0.00 C ATOM 1671 OE1 GLU A 106 -0.902 11.164 -12.407 1.00 0.00 O ATOM 1672 OE2 GLU A 106 -1.871 13.114 -12.108 1.00 0.00 O ATOM 0 H GLU A 106 -4.103 11.044 -8.030 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.944 9.105 -10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.245 9.769 -11.643 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.332 11.115 -11.362 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.712 12.220 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.663 10.817 -9.949 1.00 0.00 H new ATOM 1679 N PRO A 107 -3.015 7.641 -9.373 1.00 0.00 N ATOM 1680 CA PRO A 107 -2.036 6.707 -8.808 1.00 0.00 C ATOM 1681 C PRO A 107 -0.615 7.004 -9.274 1.00 0.00 C ATOM 1682 O PRO A 107 -0.403 7.464 -10.396 1.00 0.00 O ATOM 1683 CB PRO A 107 -2.499 5.347 -9.335 1.00 0.00 C ATOM 1684 CG PRO A 107 -3.244 5.659 -10.587 1.00 0.00 C ATOM 1685 CD PRO A 107 -3.897 6.994 -10.358 1.00 0.00 C ATOM 0 HA PRO A 107 -1.996 6.767 -7.720 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -1.652 4.690 -9.532 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -3.136 4.838 -8.612 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -2.570 5.696 -11.443 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.988 4.892 -10.800 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -3.963 7.572 -11.280 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.912 6.885 -9.977 1.00 0.00 H new ATOM 1693 N VAL A 108 0.355 6.738 -8.406 1.00 0.00 N ATOM 1694 CA VAL A 108 1.757 6.975 -8.730 1.00 0.00 C ATOM 1695 C VAL A 108 2.150 6.269 -10.022 1.00 0.00 C ATOM 1696 O VAL A 108 2.024 5.051 -10.157 1.00 0.00 O ATOM 1697 CB VAL A 108 2.684 6.498 -7.595 1.00 0.00 C ATOM 1698 CG1 VAL A 108 4.138 6.548 -8.037 1.00 0.00 C ATOM 1699 CG2 VAL A 108 2.468 7.337 -6.344 1.00 0.00 C ATOM 0 H VAL A 108 0.196 6.358 -7.473 1.00 0.00 H new ATOM 0 HA VAL A 108 1.874 8.051 -8.857 1.00 0.00 H new ATOM 0 HB VAL A 108 2.438 5.463 -7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.778 6.208 -7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.278 5.901 -8.903 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.403 7.571 -8.303 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.130 6.987 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.687 8.382 -6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.432 7.244 -6.018 1.00 0.00 H new ATOM 1709 N PRO A 109 2.637 7.049 -10.998 1.00 0.00 N ATOM 1710 CA PRO A 109 3.060 6.519 -12.298 1.00 0.00 C ATOM 1711 C PRO A 109 4.330 5.682 -12.198 1.00 0.00 C ATOM 1712 O PRO A 109 5.059 5.759 -11.210 1.00 0.00 O ATOM 1713 CB PRO A 109 3.314 7.780 -13.129 1.00 0.00 C ATOM 1714 CG PRO A 109 3.631 8.836 -12.127 1.00 0.00 C ATOM 1715 CD PRO A 109 2.815 8.508 -10.907 1.00 0.00 C ATOM 0 HA PRO A 109 2.314 5.851 -12.728 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.139 7.635 -13.826 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.439 8.046 -13.722 1.00 0.00 H new ATOM 0 HG2 PRO A 109 4.696 8.845 -11.893 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.380 9.825 -12.510 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.331 8.794 -9.990 1.00 0.00 H new ATOM 0 HD3 PRO A 109 1.858 9.031 -10.911 1.00 0.00 H new ATOM 1723 N MET A 110 4.590 4.883 -13.228 1.00 0.00 N ATOM 1724 CA MET A 110 5.774 4.033 -13.256 1.00 0.00 C ATOM 1725 C MET A 110 6.901 4.696 -14.042 1.00 0.00 C ATOM 1726 O MET A 110 6.778 5.842 -14.472 1.00 0.00 O ATOM 1727 CB MET A 110 5.437 2.674 -13.872 1.00 0.00 C ATOM 1728 CG MET A 110 4.052 2.166 -13.506 1.00 0.00 C ATOM 1729 SD MET A 110 3.328 1.134 -14.794 1.00 0.00 S ATOM 1730 CE MET A 110 3.088 2.338 -16.098 1.00 0.00 C ATOM 0 H MET A 110 3.996 4.807 -14.054 1.00 0.00 H new ATOM 0 HA MET A 110 6.110 3.885 -12.229 1.00 0.00 H new ATOM 0 HB2 MET A 110 5.513 2.747 -14.957 1.00 0.00 H new ATOM 0 HB3 MET A 110 6.179 1.944 -13.549 1.00 0.00 H new ATOM 0 HG2 MET A 110 4.112 1.595 -12.579 1.00 0.00 H new ATOM 0 HG3 MET A 110 3.396 3.016 -13.315 1.00 0.00 H new ATOM 0 HE1 MET A 110 2.274 2.015 -16.746 1.00 0.00 H new ATOM 0 HE2 MET A 110 2.841 3.305 -15.660 1.00 0.00 H new ATOM 0 HE3 MET A 110 4.003 2.428 -16.683 1.00 0.00 H new