USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 611 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 Single : A 8 SER OG : rot 170:sc= -0.878 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc=-0.00516 (180deg=-0.0985) USER MOD Single : A 17 LYS NZ :NH3+ -152:sc= -0.173 (180deg=-0.8) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc=-0.00383 X(o=-0.0038,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.012) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 31 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.2!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 86:sc= 0.399 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 68:sc= 1.13 USER MOD Single : A 44 GLN : amide:sc= -0.0291 K(o=-0.029,f=-1.5) USER MOD Single : A 49 GLN : amide:sc=-0.000828 X(o=-0.00083,f=-0.29) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 74 THR OG1 : rot 68:sc= 0.353 USER MOD Single : A 77 THR OG1 : rot 70:sc= 0.0391 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0145) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 5.367 16.054 -1.180 1.00 0.00 N ATOM 67 CA SER A 8 4.598 15.000 -0.531 1.00 0.00 C ATOM 68 C SER A 8 3.593 14.386 -1.500 1.00 0.00 C ATOM 69 O SER A 8 3.525 13.165 -1.651 1.00 0.00 O ATOM 70 CB SER A 8 3.868 15.553 0.695 1.00 0.00 C ATOM 71 OG SER A 8 2.669 14.840 0.939 1.00 0.00 O ATOM 0 HA SER A 8 5.292 14.222 -0.212 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.517 15.489 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.643 16.608 0.542 1.00 0.00 H new ATOM 0 HG SER A 8 2.305 15.101 1.811 1.00 0.00 H new ATOM 77 N ILE A 9 2.814 15.240 -2.156 1.00 0.00 N ATOM 78 CA ILE A 9 1.813 14.782 -3.112 1.00 0.00 C ATOM 79 C ILE A 9 2.325 13.592 -3.916 1.00 0.00 C ATOM 80 O ILE A 9 1.669 12.553 -3.995 1.00 0.00 O ATOM 81 CB ILE A 9 1.406 15.907 -4.082 1.00 0.00 C ATOM 82 CG1 ILE A 9 0.509 16.923 -3.371 1.00 0.00 C ATOM 83 CG2 ILE A 9 0.698 15.327 -5.297 1.00 0.00 C ATOM 84 CD1 ILE A 9 -0.960 16.563 -3.408 1.00 0.00 C ATOM 0 H ILE A 9 2.857 16.253 -2.043 1.00 0.00 H new ATOM 0 HA ILE A 9 0.940 14.478 -2.535 1.00 0.00 H new ATOM 0 HB ILE A 9 2.307 16.419 -4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.827 17.012 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.647 17.902 -3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.416 16.134 -5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.366 14.638 -5.813 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.197 14.793 -4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.535 17.327 -2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.294 16.503 -4.444 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.111 15.599 -2.922 1.00 0.00 H new ATOM 96 N LEU A 10 3.502 13.751 -4.511 1.00 0.00 N ATOM 97 CA LEU A 10 4.105 12.688 -5.309 1.00 0.00 C ATOM 98 C LEU A 10 4.600 11.553 -4.420 1.00 0.00 C ATOM 99 O LEU A 10 4.246 10.392 -4.621 1.00 0.00 O ATOM 100 CB LEU A 10 5.263 13.243 -6.141 1.00 0.00 C ATOM 101 CG LEU A 10 4.900 13.774 -7.527 1.00 0.00 C ATOM 102 CD1 LEU A 10 4.957 12.657 -8.559 1.00 0.00 C ATOM 103 CD2 LEU A 10 3.520 14.414 -7.509 1.00 0.00 C ATOM 0 H LEU A 10 4.058 14.605 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 10 3.341 12.292 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.735 14.048 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.009 12.457 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 10 5.629 14.536 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.695 13.054 -9.540 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.965 12.243 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.252 11.872 -8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.279 14.786 -8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.779 13.673 -7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.512 15.242 -6.800 1.00 0.00 H new ATOM 115 N LYS A 11 5.421 11.897 -3.432 1.00 0.00 N ATOM 116 CA LYS A 11 5.963 10.909 -2.508 1.00 0.00 C ATOM 117 C LYS A 11 4.873 9.952 -2.033 1.00 0.00 C ATOM 118 O LYS A 11 5.159 8.833 -1.608 1.00 0.00 O ATOM 119 CB LYS A 11 6.607 11.603 -1.306 1.00 0.00 C ATOM 120 CG LYS A 11 7.913 12.305 -1.636 1.00 0.00 C ATOM 121 CD LYS A 11 8.699 12.639 -0.380 1.00 0.00 C ATOM 122 CE LYS A 11 8.229 13.945 0.242 1.00 0.00 C ATOM 123 NZ LYS A 11 8.931 14.234 1.522 1.00 0.00 N ATOM 0 H LYS A 11 5.725 12.854 -3.252 1.00 0.00 H new ATOM 0 HA LYS A 11 6.723 10.333 -3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.906 12.331 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.789 10.864 -0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.515 11.669 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.705 13.220 -2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.591 11.831 0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.759 12.711 -0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.400 14.763 -0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.155 13.897 0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.583 15.132 1.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.748 13.466 2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.954 14.306 1.348 1.00 0.00 H new ATOM 137 N ILE A 12 3.625 10.402 -2.108 1.00 0.00 N ATOM 138 CA ILE A 12 2.493 9.585 -1.687 1.00 0.00 C ATOM 139 C ILE A 12 1.891 8.831 -2.868 1.00 0.00 C ATOM 140 O ILE A 12 1.527 7.661 -2.749 1.00 0.00 O ATOM 141 CB ILE A 12 1.396 10.440 -1.026 1.00 0.00 C ATOM 142 CG1 ILE A 12 1.938 11.119 0.235 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.184 9.583 -0.693 1.00 0.00 C ATOM 144 CD1 ILE A 12 0.941 12.039 0.902 1.00 0.00 C ATOM 0 H ILE A 12 3.372 11.327 -2.456 1.00 0.00 H new ATOM 0 HA ILE A 12 2.874 8.870 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 12 1.087 11.214 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.246 10.353 0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.830 11.690 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.582 10.202 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.213 9.143 -1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.477 8.789 -0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.393 12.485 1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.651 12.827 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.058 11.469 1.193 1.00 0.00 H new ATOM 156 N GLU A 13 1.792 9.508 -4.008 1.00 0.00 N ATOM 157 CA GLU A 13 1.234 8.901 -5.210 1.00 0.00 C ATOM 158 C GLU A 13 1.940 7.586 -5.532 1.00 0.00 C ATOM 159 O GLU A 13 1.375 6.710 -6.187 1.00 0.00 O ATOM 160 CB GLU A 13 1.354 9.861 -6.396 1.00 0.00 C ATOM 161 CG GLU A 13 0.229 10.880 -6.470 1.00 0.00 C ATOM 162 CD GLU A 13 0.038 11.437 -7.867 1.00 0.00 C ATOM 163 OE1 GLU A 13 -0.305 10.654 -8.777 1.00 0.00 O ATOM 164 OE2 GLU A 13 0.233 12.657 -8.051 1.00 0.00 O ATOM 0 H GLU A 13 2.091 10.476 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 13 0.180 8.693 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.306 10.388 -6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.371 9.283 -7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.699 10.415 -6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.440 11.699 -5.782 1.00 0.00 H new ATOM 171 N LYS A 14 3.177 7.457 -5.068 1.00 0.00 N ATOM 172 CA LYS A 14 3.961 6.251 -5.305 1.00 0.00 C ATOM 173 C LYS A 14 3.492 5.110 -4.406 1.00 0.00 C ATOM 174 O LYS A 14 3.078 4.056 -4.889 1.00 0.00 O ATOM 175 CB LYS A 14 5.447 6.527 -5.061 1.00 0.00 C ATOM 176 CG LYS A 14 6.175 7.059 -6.283 1.00 0.00 C ATOM 177 CD LYS A 14 6.088 8.573 -6.369 1.00 0.00 C ATOM 178 CE LYS A 14 7.307 9.163 -7.062 1.00 0.00 C ATOM 179 NZ LYS A 14 8.515 9.118 -6.194 1.00 0.00 N ATOM 0 H LYS A 14 3.659 8.173 -4.525 1.00 0.00 H new ATOM 0 HA LYS A 14 3.818 5.954 -6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.546 7.246 -4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.930 5.607 -4.733 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.221 6.755 -6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.747 6.617 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.187 8.856 -6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.000 8.991 -5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.502 8.614 -7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.100 10.196 -7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.241 9.757 -6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.262 9.418 -5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.887 8.147 -6.167 1.00 0.00 H new ATOM 193 N VAL A 15 3.556 5.331 -3.097 1.00 0.00 N ATOM 194 CA VAL A 15 3.135 4.323 -2.131 1.00 0.00 C ATOM 195 C VAL A 15 1.870 3.610 -2.597 1.00 0.00 C ATOM 196 O VAL A 15 1.691 2.416 -2.351 1.00 0.00 O ATOM 197 CB VAL A 15 2.879 4.945 -0.746 1.00 0.00 C ATOM 198 CG1 VAL A 15 2.288 3.913 0.202 1.00 0.00 C ATOM 199 CG2 VAL A 15 4.164 5.528 -0.178 1.00 0.00 C ATOM 0 H VAL A 15 3.895 6.198 -2.681 1.00 0.00 H new ATOM 0 HA VAL A 15 3.948 3.601 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 15 2.158 5.755 -0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.114 4.371 1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.344 3.547 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.982 3.080 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.964 5.963 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.909 4.739 -0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.541 6.300 -0.849 1.00 0.00 H new ATOM 209 N LEU A 16 0.996 4.348 -3.272 1.00 0.00 N ATOM 210 CA LEU A 16 -0.253 3.787 -3.774 1.00 0.00 C ATOM 211 C LEU A 16 -0.091 3.295 -5.209 1.00 0.00 C ATOM 212 O LEU A 16 -0.573 2.220 -5.566 1.00 0.00 O ATOM 213 CB LEU A 16 -1.369 4.831 -3.703 1.00 0.00 C ATOM 214 CG LEU A 16 -1.688 5.379 -2.312 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.487 6.669 -2.417 1.00 0.00 C ATOM 216 CD2 LEU A 16 -2.446 4.345 -1.492 1.00 0.00 C ATOM 0 H LEU A 16 1.129 5.337 -3.484 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.519 2.937 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.098 5.667 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.277 4.391 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.749 5.598 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.705 7.044 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.908 7.412 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.422 6.476 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.665 4.752 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.379 4.094 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.838 3.447 -1.387 1.00 0.00 H new ATOM 228 N LYS A 17 0.592 4.087 -6.027 1.00 0.00 N ATOM 229 CA LYS A 17 0.822 3.733 -7.422 1.00 0.00 C ATOM 230 C LYS A 17 1.049 2.232 -7.571 1.00 0.00 C ATOM 231 O LYS A 17 0.344 1.559 -8.324 1.00 0.00 O ATOM 232 CB LYS A 17 2.025 4.500 -7.974 1.00 0.00 C ATOM 233 CG LYS A 17 2.460 4.039 -9.354 1.00 0.00 C ATOM 234 CD LYS A 17 1.733 4.800 -10.450 1.00 0.00 C ATOM 235 CE LYS A 17 0.441 4.105 -10.849 1.00 0.00 C ATOM 236 NZ LYS A 17 0.690 2.738 -11.387 1.00 0.00 N ATOM 0 H LYS A 17 0.997 4.980 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.066 4.007 -7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.781 5.561 -8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.862 4.392 -7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.535 4.180 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.266 2.972 -9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.513 5.811 -10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.381 4.893 -11.321 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.219 4.040 -9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.076 4.702 -11.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.065 2.486 -12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.607 2.719 -11.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.702 2.054 -10.604 1.00 0.00 H new ATOM 250 N ARG A 18 2.038 1.714 -6.849 1.00 0.00 N ATOM 251 CA ARG A 18 2.357 0.292 -6.902 1.00 0.00 C ATOM 252 C ARG A 18 1.261 -0.536 -6.240 1.00 0.00 C ATOM 253 O ARG A 18 0.747 -1.487 -6.829 1.00 0.00 O ATOM 254 CB ARG A 18 3.698 0.024 -6.216 1.00 0.00 C ATOM 255 CG ARG A 18 4.402 -1.226 -6.719 1.00 0.00 C ATOM 256 CD ARG A 18 5.276 -0.925 -7.927 1.00 0.00 C ATOM 257 NE ARG A 18 6.049 -2.091 -8.346 1.00 0.00 N ATOM 258 CZ ARG A 18 7.207 -2.440 -7.798 1.00 0.00 C ATOM 259 NH1 ARG A 18 7.723 -1.717 -6.814 1.00 0.00 N ATOM 260 NH2 ARG A 18 7.852 -3.514 -8.235 1.00 0.00 N ATOM 0 H ARG A 18 2.631 2.257 -6.221 1.00 0.00 H new ATOM 0 HA ARG A 18 2.427 -0.001 -7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.351 0.884 -6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.535 -0.069 -5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.014 -1.646 -5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.661 -1.981 -6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.649 -0.589 -8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.955 -0.106 -7.689 1.00 0.00 H new ATOM 0 HE ARG A 18 5.679 -2.669 -9.101 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.230 -0.890 -6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.613 -1.987 -6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.458 -4.072 -8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.742 -3.781 -7.813 1.00 0.00 H new ATOM 274 N MET A 19 0.908 -0.170 -5.012 1.00 0.00 N ATOM 275 CA MET A 19 -0.128 -0.880 -4.271 1.00 0.00 C ATOM 276 C MET A 19 -1.247 -1.336 -5.202 1.00 0.00 C ATOM 277 O MET A 19 -1.698 -2.479 -5.132 1.00 0.00 O ATOM 278 CB MET A 19 -0.698 0.014 -3.168 1.00 0.00 C ATOM 279 CG MET A 19 -1.853 -0.620 -2.409 1.00 0.00 C ATOM 280 SD MET A 19 -3.408 -0.543 -3.318 1.00 0.00 S ATOM 281 CE MET A 19 -4.032 1.050 -2.787 1.00 0.00 C ATOM 0 H MET A 19 1.324 0.614 -4.509 1.00 0.00 H new ATOM 0 HA MET A 19 0.324 -1.762 -3.817 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.097 0.261 -2.464 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.035 0.952 -3.609 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.613 -1.661 -2.195 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.972 -0.116 -1.450 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.992 1.242 -3.265 1.00 0.00 H new ATOM 0 HE2 MET A 19 -4.160 1.048 -1.704 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.324 1.830 -3.068 1.00 0.00 H new ATOM 291 N ARG A 20 -1.691 -0.434 -6.073 1.00 0.00 N ATOM 292 CA ARG A 20 -2.758 -0.744 -7.016 1.00 0.00 C ATOM 293 C ARG A 20 -2.315 -1.823 -8.002 1.00 0.00 C ATOM 294 O ARG A 20 -2.913 -2.897 -8.071 1.00 0.00 O ATOM 295 CB ARG A 20 -3.178 0.514 -7.776 1.00 0.00 C ATOM 296 CG ARG A 20 -3.722 1.614 -6.880 1.00 0.00 C ATOM 297 CD ARG A 20 -3.707 2.964 -7.581 1.00 0.00 C ATOM 298 NE ARG A 20 -4.431 2.929 -8.849 1.00 0.00 N ATOM 299 CZ ARG A 20 -4.766 4.017 -9.533 1.00 0.00 C ATOM 300 NH1 ARG A 20 -4.443 5.219 -9.075 1.00 0.00 N ATOM 301 NH2 ARG A 20 -5.425 3.905 -10.680 1.00 0.00 N ATOM 0 H ARG A 20 -1.328 0.516 -6.144 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.611 -1.120 -6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.320 0.898 -8.328 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.937 0.247 -8.511 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.741 1.370 -6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.127 1.670 -5.969 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.152 3.716 -6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.676 3.268 -7.760 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.694 2.020 -9.230 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.936 5.310 -8.195 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.702 6.052 -9.603 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.675 2.983 -11.037 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.682 4.741 -11.204 1.00 0.00 H new ATOM 315 N GLU A 21 -1.266 -1.529 -8.762 1.00 0.00 N ATOM 316 CA GLU A 21 -0.746 -2.472 -9.744 1.00 0.00 C ATOM 317 C GLU A 21 -0.654 -3.876 -9.154 1.00 0.00 C ATOM 318 O GLU A 21 -1.268 -4.816 -9.661 1.00 0.00 O ATOM 319 CB GLU A 21 0.631 -2.022 -10.237 1.00 0.00 C ATOM 320 CG GLU A 21 0.574 -1.066 -11.416 1.00 0.00 C ATOM 321 CD GLU A 21 1.797 -1.163 -12.306 1.00 0.00 C ATOM 322 OE1 GLU A 21 2.031 -2.250 -12.875 1.00 0.00 O ATOM 323 OE2 GLU A 21 2.520 -0.153 -12.435 1.00 0.00 O ATOM 0 H GLU A 21 -0.759 -0.645 -8.717 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.436 -2.496 -10.588 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.162 -1.541 -9.416 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.211 -2.900 -10.520 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.318 -1.276 -12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.478 -0.045 -11.047 1.00 0.00 H new ATOM 330 N ILE A 22 0.117 -4.010 -8.080 1.00 0.00 N ATOM 331 CA ILE A 22 0.289 -5.299 -7.420 1.00 0.00 C ATOM 332 C ILE A 22 -1.052 -5.996 -7.218 1.00 0.00 C ATOM 333 O ILE A 22 -1.189 -7.191 -7.479 1.00 0.00 O ATOM 334 CB ILE A 22 0.986 -5.144 -6.056 1.00 0.00 C ATOM 335 CG1 ILE A 22 2.378 -4.536 -6.236 1.00 0.00 C ATOM 336 CG2 ILE A 22 1.076 -6.489 -5.351 1.00 0.00 C ATOM 337 CD1 ILE A 22 3.031 -4.125 -4.934 1.00 0.00 C ATOM 0 H ILE A 22 0.632 -3.243 -7.648 1.00 0.00 H new ATOM 0 HA ILE A 22 0.917 -5.907 -8.072 1.00 0.00 H new ATOM 0 HB ILE A 22 0.394 -4.470 -5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.018 -5.258 -6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.304 -3.665 -6.887 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.571 -6.363 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.073 -6.885 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.649 -7.184 -5.965 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.015 -3.702 -5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.412 -3.379 -4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.138 -4.997 -4.289 1.00 0.00 H new ATOM 349 N LYS A 23 -2.040 -5.241 -6.750 1.00 0.00 N ATOM 350 CA LYS A 23 -3.373 -5.783 -6.516 1.00 0.00 C ATOM 351 C LYS A 23 -3.908 -6.475 -7.766 1.00 0.00 C ATOM 352 O LYS A 23 -4.154 -7.680 -7.763 1.00 0.00 O ATOM 353 CB LYS A 23 -4.332 -4.671 -6.086 1.00 0.00 C ATOM 354 CG LYS A 23 -5.596 -5.181 -5.417 1.00 0.00 C ATOM 355 CD LYS A 23 -6.697 -5.442 -6.431 1.00 0.00 C ATOM 356 CE LYS A 23 -7.536 -4.197 -6.675 1.00 0.00 C ATOM 357 NZ LYS A 23 -8.623 -4.054 -5.666 1.00 0.00 N ATOM 0 H LYS A 23 -1.942 -4.251 -6.525 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.301 -6.521 -5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.813 -4.001 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.607 -4.082 -6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.376 -6.100 -4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.941 -4.452 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.256 -5.775 -7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.337 -6.249 -6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.895 -3.316 -6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.971 -4.242 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.172 -3.194 -5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.249 -4.883 -5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.207 -3.985 -4.715 1.00 0.00 H new ATOM 371 N ASN A 24 -4.084 -5.702 -8.834 1.00 0.00 N ATOM 372 CA ASN A 24 -4.588 -6.242 -10.092 1.00 0.00 C ATOM 373 C ASN A 24 -3.790 -7.470 -10.517 1.00 0.00 C ATOM 374 O ASN A 24 -4.353 -8.447 -11.010 1.00 0.00 O ATOM 375 CB ASN A 24 -4.528 -5.176 -11.187 1.00 0.00 C ATOM 376 CG ASN A 24 -5.499 -5.455 -12.320 1.00 0.00 C ATOM 377 OD1 ASN A 24 -6.597 -4.898 -12.361 1.00 0.00 O ATOM 378 ND2 ASN A 24 -5.097 -6.320 -13.243 1.00 0.00 N ATOM 0 H ASN A 24 -3.885 -4.702 -8.853 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.625 -6.541 -9.941 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.750 -4.201 -10.754 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.515 -5.124 -11.585 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.707 -6.548 -14.028 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.178 -6.757 -13.167 1.00 0.00 H new ATOM 385 N GLU A 25 -2.477 -7.413 -10.320 1.00 0.00 N ATOM 386 CA GLU A 25 -1.601 -8.520 -10.685 1.00 0.00 C ATOM 387 C GLU A 25 -1.875 -9.740 -9.809 1.00 0.00 C ATOM 388 O GLU A 25 -1.687 -10.880 -10.236 1.00 0.00 O ATOM 389 CB GLU A 25 -0.134 -8.105 -10.553 1.00 0.00 C ATOM 390 CG GLU A 25 0.828 -9.032 -11.277 1.00 0.00 C ATOM 391 CD GLU A 25 2.196 -8.411 -11.479 1.00 0.00 C ATOM 392 OE1 GLU A 25 2.903 -8.194 -10.472 1.00 0.00 O ATOM 393 OE2 GLU A 25 2.561 -8.143 -12.642 1.00 0.00 O ATOM 0 H GLU A 25 -1.996 -6.612 -9.910 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.804 -8.784 -11.723 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.015 -7.094 -10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.132 -8.072 -9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.933 -9.956 -10.709 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.408 -9.300 -12.247 1.00 0.00 H new ATOM 400 N LEU A 26 -2.321 -9.492 -8.582 1.00 0.00 N ATOM 401 CA LEU A 26 -2.621 -10.569 -7.645 1.00 0.00 C ATOM 402 C LEU A 26 -3.973 -11.202 -7.957 1.00 0.00 C ATOM 403 O LEU A 26 -4.139 -12.418 -7.856 1.00 0.00 O ATOM 404 CB LEU A 26 -2.612 -10.040 -6.209 1.00 0.00 C ATOM 405 CG LEU A 26 -3.421 -10.846 -5.192 1.00 0.00 C ATOM 406 CD1 LEU A 26 -2.815 -12.228 -5.004 1.00 0.00 C ATOM 407 CD2 LEU A 26 -3.493 -10.108 -3.864 1.00 0.00 C ATOM 0 H LEU A 26 -2.483 -8.555 -8.213 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.850 -11.333 -7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.578 -9.994 -5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.991 -9.018 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.435 -10.965 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.404 -12.788 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.815 -12.758 -5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.791 -12.130 -4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.072 -10.696 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.486 -9.958 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.973 -9.140 -4.011 1.00 0.00 H new ATOM 419 N LEU A 27 -4.935 -10.370 -8.340 1.00 0.00 N ATOM 420 CA LEU A 27 -6.273 -10.848 -8.671 1.00 0.00 C ATOM 421 C LEU A 27 -6.261 -11.645 -9.972 1.00 0.00 C ATOM 422 O LEU A 27 -6.640 -12.816 -9.995 1.00 0.00 O ATOM 423 CB LEU A 27 -7.242 -9.670 -8.790 1.00 0.00 C ATOM 424 CG LEU A 27 -7.830 -9.149 -7.479 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.434 -7.768 -7.676 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.875 -10.118 -6.941 1.00 0.00 C ATOM 0 H LEU A 27 -4.814 -9.361 -8.429 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.606 -11.505 -7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.724 -8.848 -9.284 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.064 -9.966 -9.441 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.025 -9.070 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.848 -7.414 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.661 -7.078 -8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.227 -7.821 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.283 -9.731 -6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.678 -10.229 -7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.413 -11.088 -6.761 1.00 0.00 H new ATOM 438 N GLN A 28 -5.821 -11.003 -11.049 1.00 0.00 N ATOM 439 CA GLN A 28 -5.758 -11.653 -12.352 1.00 0.00 C ATOM 440 C GLN A 28 -4.974 -12.960 -12.271 1.00 0.00 C ATOM 441 O GLN A 28 -5.328 -13.949 -12.912 1.00 0.00 O ATOM 442 CB GLN A 28 -5.115 -10.721 -13.381 1.00 0.00 C ATOM 443 CG GLN A 28 -6.091 -9.734 -13.999 1.00 0.00 C ATOM 444 CD GLN A 28 -6.803 -10.299 -15.212 1.00 0.00 C ATOM 445 OE1 GLN A 28 -8.032 -10.345 -15.258 1.00 0.00 O ATOM 446 NE2 GLN A 28 -6.032 -10.735 -16.202 1.00 0.00 N ATOM 0 H GLN A 28 -5.503 -10.034 -11.045 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.777 -11.880 -12.666 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.306 -10.169 -12.903 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.667 -11.321 -14.173 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.829 -9.443 -13.252 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.554 -8.830 -14.286 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.017 -10.677 -16.121 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.455 -11.127 -17.043 1.00 0.00 H new ATOM 455 N ALA A 29 -3.906 -12.954 -11.481 1.00 0.00 N ATOM 456 CA ALA A 29 -3.073 -14.139 -11.315 1.00 0.00 C ATOM 457 C ALA A 29 -3.926 -15.390 -11.134 1.00 0.00 C ATOM 458 O ALA A 29 -5.071 -15.311 -10.691 1.00 0.00 O ATOM 459 CB ALA A 29 -2.134 -13.962 -10.130 1.00 0.00 C ATOM 0 H ALA A 29 -3.597 -12.142 -10.946 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.479 -14.265 -12.220 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.518 -14.854 -10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.493 -13.097 -10.300 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.718 -13.808 -9.223 1.00 0.00 H new ATOM 465 N GLN A 30 -3.360 -16.541 -11.481 1.00 0.00 N ATOM 466 CA GLN A 30 -4.070 -17.809 -11.358 1.00 0.00 C ATOM 467 C GLN A 30 -3.592 -18.585 -10.134 1.00 0.00 C ATOM 468 O GLN A 30 -4.361 -19.316 -9.513 1.00 0.00 O ATOM 469 CB GLN A 30 -3.876 -18.652 -12.619 1.00 0.00 C ATOM 470 CG GLN A 30 -2.436 -19.082 -12.848 1.00 0.00 C ATOM 471 CD GLN A 30 -2.249 -19.823 -14.157 1.00 0.00 C ATOM 472 OE1 GLN A 30 -3.215 -20.279 -14.768 1.00 0.00 O ATOM 473 NE2 GLN A 30 -1.002 -19.946 -14.594 1.00 0.00 N ATOM 0 H GLN A 30 -2.412 -16.622 -11.849 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.131 -17.591 -11.236 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.505 -19.540 -12.553 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.218 -18.082 -13.483 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.792 -18.202 -12.838 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.116 -19.721 -12.025 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.231 -19.552 -14.054 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.814 -20.435 -15.469 1.00 0.00 H new ATOM 482 N ASN A 31 -2.317 -18.419 -9.797 1.00 0.00 N ATOM 483 CA ASN A 31 -1.735 -19.106 -8.649 1.00 0.00 C ATOM 484 C ASN A 31 -1.234 -18.104 -7.613 1.00 0.00 C ATOM 485 O ASN A 31 -0.033 -17.949 -7.393 1.00 0.00 O ATOM 486 CB ASN A 31 -0.586 -20.010 -9.097 1.00 0.00 C ATOM 487 CG ASN A 31 -1.077 -21.317 -9.691 1.00 0.00 C ATOM 488 OD1 ASN A 31 -1.302 -21.418 -10.897 1.00 0.00 O ATOM 489 ND2 ASN A 31 -1.245 -22.326 -8.843 1.00 0.00 N ATOM 0 H ASN A 31 -1.668 -17.816 -10.302 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.512 -19.718 -8.191 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.020 -19.484 -9.834 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.060 -20.221 -8.245 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.573 -23.230 -9.184 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.046 -22.197 -7.851 1.00 0.00 H new ATOM 496 N PRO A 32 -2.176 -17.407 -6.960 1.00 0.00 N ATOM 497 CA PRO A 32 -1.855 -16.409 -5.936 1.00 0.00 C ATOM 498 C PRO A 32 -1.303 -17.042 -4.663 1.00 0.00 C ATOM 499 O PRO A 32 -0.853 -16.341 -3.756 1.00 0.00 O ATOM 500 CB PRO A 32 -3.203 -15.738 -5.658 1.00 0.00 C ATOM 501 CG PRO A 32 -4.219 -16.764 -6.027 1.00 0.00 C ATOM 502 CD PRO A 32 -3.628 -17.539 -7.171 1.00 0.00 C ATOM 0 HA PRO A 32 -1.081 -15.718 -6.269 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.293 -15.450 -4.611 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.323 -14.831 -6.250 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.437 -17.419 -5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.159 -16.295 -6.318 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.943 -18.582 -7.155 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.933 -17.129 -8.134 1.00 0.00 H new ATOM 510 N SER A 33 -1.339 -18.369 -4.603 1.00 0.00 N ATOM 511 CA SER A 33 -0.844 -19.096 -3.440 1.00 0.00 C ATOM 512 C SER A 33 0.621 -18.764 -3.174 1.00 0.00 C ATOM 513 O SER A 33 1.120 -18.953 -2.066 1.00 0.00 O ATOM 514 CB SER A 33 -1.009 -20.603 -3.646 1.00 0.00 C ATOM 515 OG SER A 33 -0.654 -20.978 -4.965 1.00 0.00 O ATOM 0 H SER A 33 -1.706 -18.963 -5.347 1.00 0.00 H new ATOM 0 HA SER A 33 -1.430 -18.789 -2.574 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.387 -21.141 -2.931 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.042 -20.890 -3.448 1.00 0.00 H new ATOM 0 HG SER A 33 -0.766 -21.946 -5.071 1.00 0.00 H new ATOM 521 N GLU A 34 1.303 -18.268 -4.201 1.00 0.00 N ATOM 522 CA GLU A 34 2.713 -17.910 -4.079 1.00 0.00 C ATOM 523 C GLU A 34 2.888 -16.395 -4.045 1.00 0.00 C ATOM 524 O GLU A 34 3.982 -15.891 -3.783 1.00 0.00 O ATOM 525 CB GLU A 34 3.514 -18.501 -5.241 1.00 0.00 C ATOM 526 CG GLU A 34 3.698 -20.007 -5.149 1.00 0.00 C ATOM 527 CD GLU A 34 4.859 -20.399 -4.256 1.00 0.00 C ATOM 528 OE1 GLU A 34 5.132 -19.668 -3.282 1.00 0.00 O ATOM 529 OE2 GLU A 34 5.496 -21.437 -4.534 1.00 0.00 O ATOM 0 H GLU A 34 0.904 -18.105 -5.125 1.00 0.00 H new ATOM 0 HA GLU A 34 3.087 -18.323 -3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.010 -18.261 -6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.494 -18.025 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.782 -20.459 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.860 -20.411 -6.148 1.00 0.00 H new ATOM 536 N LEU A 35 1.805 -15.673 -4.311 1.00 0.00 N ATOM 537 CA LEU A 35 1.839 -14.215 -4.312 1.00 0.00 C ATOM 538 C LEU A 35 1.439 -13.661 -2.948 1.00 0.00 C ATOM 539 O LEU A 35 1.683 -12.493 -2.645 1.00 0.00 O ATOM 540 CB LEU A 35 0.906 -13.664 -5.392 1.00 0.00 C ATOM 541 CG LEU A 35 1.332 -13.914 -6.838 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.149 -13.752 -7.779 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.462 -12.975 -7.232 1.00 0.00 C ATOM 0 H LEU A 35 0.893 -16.074 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 35 2.860 -13.900 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.083 -14.098 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.807 -12.589 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 35 1.695 -14.939 -6.917 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.472 -13.934 -8.804 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.629 -14.467 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.245 -12.739 -7.697 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.752 -13.168 -8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.127 -11.942 -7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.318 -13.141 -6.578 1.00 0.00 H new ATOM 555 N TYR A 36 0.826 -14.507 -2.128 1.00 0.00 N ATOM 556 CA TYR A 36 0.392 -14.102 -0.796 1.00 0.00 C ATOM 557 C TYR A 36 1.548 -13.493 -0.008 1.00 0.00 C ATOM 558 O TYR A 36 1.366 -12.533 0.742 1.00 0.00 O ATOM 559 CB TYR A 36 -0.181 -15.300 -0.038 1.00 0.00 C ATOM 560 CG TYR A 36 -1.515 -15.772 -0.570 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.514 -14.866 -0.900 1.00 0.00 C ATOM 562 CD2 TYR A 36 -1.775 -17.126 -0.745 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.734 -15.293 -1.386 1.00 0.00 C ATOM 564 CE2 TYR A 36 -2.992 -17.563 -1.233 1.00 0.00 C ATOM 565 CZ TYR A 36 -3.969 -16.643 -1.551 1.00 0.00 C ATOM 566 OH TYR A 36 -5.183 -17.072 -2.036 1.00 0.00 O ATOM 0 H TYR A 36 0.618 -15.478 -2.362 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.385 -13.346 -0.909 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.531 -16.124 -0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.292 -15.035 1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.334 -13.809 -0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.013 -17.849 -0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.500 -14.574 -1.636 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.177 -18.619 -1.365 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.185 -18.050 -2.093 1.00 0.00 H new ATOM 576 N LEU A 37 2.738 -14.057 -0.187 1.00 0.00 N ATOM 577 CA LEU A 37 3.925 -13.569 0.507 1.00 0.00 C ATOM 578 C LEU A 37 4.512 -12.355 -0.206 1.00 0.00 C ATOM 579 O LEU A 37 4.555 -11.258 0.350 1.00 0.00 O ATOM 580 CB LEU A 37 4.976 -14.678 0.599 1.00 0.00 C ATOM 581 CG LEU A 37 4.843 -15.632 1.786 1.00 0.00 C ATOM 582 CD1 LEU A 37 4.785 -14.855 3.092 1.00 0.00 C ATOM 583 CD2 LEU A 37 3.608 -16.508 1.630 1.00 0.00 C ATOM 0 H LEU A 37 2.906 -14.851 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 37 3.631 -13.269 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.937 -15.265 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.962 -14.214 0.640 1.00 0.00 H new ATOM 0 HG LEU A 37 5.722 -16.277 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.690 -15.551 3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.698 -14.271 3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.925 -14.185 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.529 -17.181 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.719 -15.879 1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.690 -17.093 0.714 1.00 0.00 H new ATOM 595 N SER A 38 4.960 -12.560 -1.440 1.00 0.00 N ATOM 596 CA SER A 38 5.546 -11.481 -2.229 1.00 0.00 C ATOM 597 C SER A 38 4.775 -10.180 -2.027 1.00 0.00 C ATOM 598 O SER A 38 5.312 -9.203 -1.505 1.00 0.00 O ATOM 599 CB SER A 38 5.559 -11.855 -3.713 1.00 0.00 C ATOM 600 OG SER A 38 6.496 -12.886 -3.971 1.00 0.00 O ATOM 0 H SER A 38 4.929 -13.462 -1.915 1.00 0.00 H new ATOM 0 HA SER A 38 6.571 -11.332 -1.890 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.564 -12.179 -4.018 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.806 -10.977 -4.310 1.00 0.00 H new ATOM 0 HG SER A 38 6.484 -13.108 -4.925 1.00 0.00 H new ATOM 606 N SER A 39 3.513 -10.176 -2.446 1.00 0.00 N ATOM 607 CA SER A 39 2.669 -8.995 -2.315 1.00 0.00 C ATOM 608 C SER A 39 2.785 -8.395 -0.917 1.00 0.00 C ATOM 609 O SER A 39 3.267 -7.274 -0.747 1.00 0.00 O ATOM 610 CB SER A 39 1.210 -9.350 -2.610 1.00 0.00 C ATOM 611 OG SER A 39 1.075 -9.926 -3.897 1.00 0.00 O ATOM 0 H SER A 39 3.053 -10.977 -2.879 1.00 0.00 H new ATOM 0 HA SER A 39 3.010 -8.254 -3.038 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.843 -10.046 -1.856 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.594 -8.453 -2.543 1.00 0.00 H new ATOM 0 HG SER A 39 1.234 -10.892 -3.842 1.00 0.00 H new ATOM 617 N LYS A 40 2.342 -9.150 0.083 1.00 0.00 N ATOM 618 CA LYS A 40 2.397 -8.696 1.467 1.00 0.00 C ATOM 619 C LYS A 40 3.754 -8.075 1.782 1.00 0.00 C ATOM 620 O LYS A 40 3.841 -7.078 2.501 1.00 0.00 O ATOM 621 CB LYS A 40 2.125 -9.863 2.419 1.00 0.00 C ATOM 622 CG LYS A 40 1.717 -9.427 3.815 1.00 0.00 C ATOM 623 CD LYS A 40 1.156 -10.587 4.620 1.00 0.00 C ATOM 624 CE LYS A 40 1.053 -10.241 6.098 1.00 0.00 C ATOM 625 NZ LYS A 40 2.300 -10.586 6.837 1.00 0.00 N ATOM 0 H LYS A 40 1.941 -10.080 -0.040 1.00 0.00 H new ATOM 0 HA LYS A 40 1.628 -7.936 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.338 -10.488 1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.020 -10.481 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.580 -9.007 4.333 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.970 -8.636 3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.171 -10.854 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.794 -11.462 4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.848 -9.176 6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.211 -10.775 6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.190 -10.335 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.482 -11.607 6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.100 -10.058 6.434 1.00 0.00 H new ATOM 639 N THR A 41 4.813 -8.668 1.241 1.00 0.00 N ATOM 640 CA THR A 41 6.165 -8.173 1.463 1.00 0.00 C ATOM 641 C THR A 41 6.355 -6.794 0.842 1.00 0.00 C ATOM 642 O THR A 41 6.509 -5.800 1.552 1.00 0.00 O ATOM 643 CB THR A 41 7.218 -9.134 0.882 1.00 0.00 C ATOM 644 OG1 THR A 41 7.009 -10.456 1.392 1.00 0.00 O ATOM 645 CG2 THR A 41 8.625 -8.669 1.228 1.00 0.00 C ATOM 0 H THR A 41 4.760 -9.494 0.645 1.00 0.00 H new ATOM 0 HA THR A 41 6.302 -8.105 2.542 1.00 0.00 H new ATOM 0 HB THR A 41 7.111 -9.142 -0.203 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.169 -10.814 1.037 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.352 -9.364 0.807 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.792 -7.674 0.814 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.741 -8.635 2.311 1.00 0.00 H new ATOM 653 N GLU A 42 6.340 -6.741 -0.486 1.00 0.00 N ATOM 654 CA GLU A 42 6.511 -5.482 -1.201 1.00 0.00 C ATOM 655 C GLU A 42 5.673 -4.376 -0.566 1.00 0.00 C ATOM 656 O GLU A 42 6.188 -3.315 -0.212 1.00 0.00 O ATOM 657 CB GLU A 42 6.125 -5.648 -2.672 1.00 0.00 C ATOM 658 CG GLU A 42 6.845 -4.688 -3.604 1.00 0.00 C ATOM 659 CD GLU A 42 8.324 -5.000 -3.733 1.00 0.00 C ATOM 660 OE1 GLU A 42 8.673 -6.195 -3.815 1.00 0.00 O ATOM 661 OE2 GLU A 42 9.132 -4.047 -3.750 1.00 0.00 O ATOM 0 H GLU A 42 6.211 -7.554 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 42 7.562 -5.199 -1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.340 -6.671 -2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.050 -5.503 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.382 -4.728 -4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.723 -3.669 -3.236 1.00 0.00 H new ATOM 668 N LEU A 43 4.377 -4.633 -0.425 1.00 0.00 N ATOM 669 CA LEU A 43 3.464 -3.661 0.166 1.00 0.00 C ATOM 670 C LEU A 43 4.098 -2.987 1.379 1.00 0.00 C ATOM 671 O LEU A 43 4.375 -1.788 1.360 1.00 0.00 O ATOM 672 CB LEU A 43 2.156 -4.341 0.573 1.00 0.00 C ATOM 673 CG LEU A 43 1.191 -4.675 -0.565 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.153 -5.687 -0.105 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.516 -3.413 -1.081 1.00 0.00 C ATOM 0 H LEU A 43 3.935 -5.506 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 43 3.252 -2.898 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.398 -5.264 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.639 -3.695 1.283 1.00 0.00 H new ATOM 0 HG LEU A 43 1.762 -5.117 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.525 -5.913 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.653 -6.601 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.414 -5.273 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.167 -3.671 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.042 -2.942 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.273 -2.721 -1.451 1.00 0.00 H new ATOM 687 N GLN A 44 4.327 -3.767 2.431 1.00 0.00 N ATOM 688 CA GLN A 44 4.930 -3.245 3.651 1.00 0.00 C ATOM 689 C GLN A 44 6.041 -2.251 3.327 1.00 0.00 C ATOM 690 O GLN A 44 6.080 -1.149 3.876 1.00 0.00 O ATOM 691 CB GLN A 44 5.487 -4.390 4.500 1.00 0.00 C ATOM 692 CG GLN A 44 4.419 -5.148 5.272 1.00 0.00 C ATOM 693 CD GLN A 44 4.928 -6.461 5.834 1.00 0.00 C ATOM 694 OE1 GLN A 44 6.033 -6.900 5.514 1.00 0.00 O ATOM 695 NE2 GLN A 44 4.122 -7.097 6.675 1.00 0.00 N ATOM 0 H GLN A 44 4.104 -4.762 2.463 1.00 0.00 H new ATOM 0 HA GLN A 44 4.155 -2.726 4.216 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.019 -5.087 3.852 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.216 -3.989 5.203 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.054 -4.524 6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.571 -5.342 4.616 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.214 -6.697 6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.410 -7.986 7.084 1.00 0.00 H new ATOM 704 N GLY A 45 6.941 -2.647 2.434 1.00 0.00 N ATOM 705 CA GLY A 45 8.040 -1.778 2.053 1.00 0.00 C ATOM 706 C GLY A 45 7.573 -0.389 1.664 1.00 0.00 C ATOM 707 O GLY A 45 8.042 0.608 2.215 1.00 0.00 O ATOM 0 H GLY A 45 6.930 -3.554 1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.744 -1.702 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.579 -2.224 1.217 1.00 0.00 H new ATOM 711 N LEU A 46 6.650 -0.322 0.712 1.00 0.00 N ATOM 712 CA LEU A 46 6.121 0.956 0.248 1.00 0.00 C ATOM 713 C LEU A 46 5.712 1.836 1.426 1.00 0.00 C ATOM 714 O LEU A 46 6.187 2.964 1.564 1.00 0.00 O ATOM 715 CB LEU A 46 4.922 0.729 -0.674 1.00 0.00 C ATOM 716 CG LEU A 46 5.231 0.109 -2.037 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.991 -0.559 -2.613 1.00 0.00 C ATOM 718 CD2 LEU A 46 5.762 1.165 -2.995 1.00 0.00 C ATOM 0 H LEU A 46 6.252 -1.137 0.246 1.00 0.00 H new ATOM 0 HA LEU A 46 6.907 1.467 -0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.209 0.086 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.428 1.687 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 46 6.000 -0.652 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.230 -0.995 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.653 -1.344 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.201 0.182 -2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.977 0.706 -3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.015 1.948 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.676 1.599 -2.588 1.00 0.00 H new ATOM 730 N ILE A 47 4.831 1.312 2.271 1.00 0.00 N ATOM 731 CA ILE A 47 4.363 2.048 3.439 1.00 0.00 C ATOM 732 C ILE A 47 5.500 2.828 4.090 1.00 0.00 C ATOM 733 O ILE A 47 5.332 3.983 4.479 1.00 0.00 O ATOM 734 CB ILE A 47 3.736 1.107 4.483 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.517 0.394 3.894 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.348 1.885 5.733 1.00 0.00 C ATOM 737 CD1 ILE A 47 1.975 -0.707 4.779 1.00 0.00 C ATOM 0 H ILE A 47 4.427 0.381 2.169 1.00 0.00 H new ATOM 0 HA ILE A 47 3.602 2.746 3.088 1.00 0.00 H new ATOM 0 HB ILE A 47 4.474 0.355 4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.729 1.126 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.786 -0.028 2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.906 1.206 6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.235 2.350 6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.624 2.657 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.112 -1.168 4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.747 -1.460 4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.675 -0.287 5.739 1.00 0.00 H new ATOM 749 N GLY A 48 6.660 2.188 4.204 1.00 0.00 N ATOM 750 CA GLY A 48 7.809 2.837 4.807 1.00 0.00 C ATOM 751 C GLY A 48 7.942 4.288 4.388 1.00 0.00 C ATOM 752 O GLY A 48 8.192 5.159 5.221 1.00 0.00 O ATOM 0 H GLY A 48 6.824 1.232 3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.725 2.782 5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.714 2.297 4.529 1.00 0.00 H new ATOM 756 N GLN A 49 7.774 4.548 3.096 1.00 0.00 N ATOM 757 CA GLN A 49 7.878 5.903 2.569 1.00 0.00 C ATOM 758 C GLN A 49 6.944 6.851 3.315 1.00 0.00 C ATOM 759 O GLN A 49 7.346 7.940 3.726 1.00 0.00 O ATOM 760 CB GLN A 49 7.553 5.920 1.075 1.00 0.00 C ATOM 761 CG GLN A 49 8.638 5.300 0.210 1.00 0.00 C ATOM 762 CD GLN A 49 8.538 5.723 -1.243 1.00 0.00 C ATOM 763 OE1 GLN A 49 8.429 6.910 -1.550 1.00 0.00 O ATOM 764 NE2 GLN A 49 8.577 4.750 -2.147 1.00 0.00 N ATOM 0 H GLN A 49 7.565 3.838 2.394 1.00 0.00 H new ATOM 0 HA GLN A 49 8.903 6.243 2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.618 5.385 0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.392 6.950 0.758 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.615 5.584 0.601 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.572 4.214 0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.668 3.779 -1.848 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.516 4.974 -3.140 1.00 0.00 H new ATOM 773 N LEU A 50 5.696 6.429 3.487 1.00 0.00 N ATOM 774 CA LEU A 50 4.704 7.240 4.184 1.00 0.00 C ATOM 775 C LEU A 50 5.343 8.017 5.330 1.00 0.00 C ATOM 776 O LEU A 50 5.153 9.227 5.455 1.00 0.00 O ATOM 777 CB LEU A 50 3.576 6.354 4.719 1.00 0.00 C ATOM 778 CG LEU A 50 2.686 5.693 3.666 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.777 4.658 4.311 1.00 0.00 C ATOM 780 CD2 LEU A 50 1.866 6.740 2.928 1.00 0.00 C ATOM 0 H LEU A 50 5.347 5.530 3.154 1.00 0.00 H new ATOM 0 HA LEU A 50 4.290 7.954 3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.017 5.571 5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.945 6.957 5.372 1.00 0.00 H new ATOM 0 HG LEU A 50 3.325 5.186 2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.151 4.197 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.383 3.891 4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.145 5.142 5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.239 6.252 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.236 7.276 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.535 7.444 2.434 1.00 0.00 H new ATOM 792 N ASP A 51 6.102 7.314 6.164 1.00 0.00 N ATOM 793 CA ASP A 51 6.772 7.939 7.298 1.00 0.00 C ATOM 794 C ASP A 51 7.387 9.276 6.898 1.00 0.00 C ATOM 795 O ASP A 51 7.208 10.281 7.584 1.00 0.00 O ATOM 796 CB ASP A 51 7.854 7.010 7.851 1.00 0.00 C ATOM 797 CG ASP A 51 8.972 7.770 8.539 1.00 0.00 C ATOM 798 OD1 ASP A 51 8.667 8.684 9.333 1.00 0.00 O ATOM 799 OD2 ASP A 51 10.152 7.451 8.282 1.00 0.00 O ATOM 0 H ASP A 51 6.268 6.312 6.076 1.00 0.00 H new ATOM 0 HA ASP A 51 6.028 8.121 8.073 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.404 6.313 8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.269 6.416 7.037 1.00 0.00 H new ATOM 804 N GLU A 52 8.113 9.278 5.783 1.00 0.00 N ATOM 805 CA GLU A 52 8.755 10.491 5.293 1.00 0.00 C ATOM 806 C GLU A 52 7.729 11.596 5.064 1.00 0.00 C ATOM 807 O GLU A 52 7.770 12.643 5.713 1.00 0.00 O ATOM 808 CB GLU A 52 9.512 10.206 3.995 1.00 0.00 C ATOM 809 CG GLU A 52 10.820 9.459 4.203 1.00 0.00 C ATOM 810 CD GLU A 52 11.920 10.352 4.743 1.00 0.00 C ATOM 811 OE1 GLU A 52 12.592 11.021 3.930 1.00 0.00 O ATOM 812 OE2 GLU A 52 12.110 10.381 5.976 1.00 0.00 O ATOM 0 H GLU A 52 8.270 8.453 5.204 1.00 0.00 H new ATOM 0 HA GLU A 52 9.462 10.828 6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.872 9.623 3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.719 11.150 3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.656 8.632 4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.141 9.025 3.256 1.00 0.00 H new ATOM 819 N VAL A 53 6.806 11.356 4.137 1.00 0.00 N ATOM 820 CA VAL A 53 5.768 12.330 3.822 1.00 0.00 C ATOM 821 C VAL A 53 5.309 13.070 5.074 1.00 0.00 C ATOM 822 O VAL A 53 4.822 12.458 6.024 1.00 0.00 O ATOM 823 CB VAL A 53 4.551 11.657 3.161 1.00 0.00 C ATOM 824 CG1 VAL A 53 3.435 12.669 2.940 1.00 0.00 C ATOM 825 CG2 VAL A 53 4.952 11.000 1.850 1.00 0.00 C ATOM 0 H VAL A 53 6.756 10.496 3.592 1.00 0.00 H new ATOM 0 HA VAL A 53 6.204 13.043 3.123 1.00 0.00 H new ATOM 0 HB VAL A 53 4.179 10.882 3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.583 12.175 2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.129 13.089 3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.792 13.469 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.079 10.529 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.350 11.755 1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.714 10.244 2.040 1.00 0.00 H new ATOM 941 N ILE A 61 -3.259 16.913 2.613 1.00 0.00 N ATOM 942 CA ILE A 61 -1.902 16.434 2.849 1.00 0.00 C ATOM 943 C ILE A 61 -1.823 15.617 4.134 1.00 0.00 C ATOM 944 O ILE A 61 -1.085 14.636 4.212 1.00 0.00 O ATOM 945 CB ILE A 61 -0.901 17.602 2.935 1.00 0.00 C ATOM 946 CG1 ILE A 61 -0.654 18.194 1.546 1.00 0.00 C ATOM 947 CG2 ILE A 61 0.406 17.133 3.557 1.00 0.00 C ATOM 948 CD1 ILE A 61 -1.719 19.174 1.109 1.00 0.00 C ATOM 0 HA ILE A 61 -1.639 15.801 2.002 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.325 18.380 3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.314 18.695 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.597 17.384 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.104 17.969 3.611 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.216 16.753 4.561 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.836 16.340 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.479 19.553 0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.686 18.672 1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.761 20.004 1.814 1.00 0.00 H new ATOM 960 N ARG A 62 -2.591 16.027 5.138 1.00 0.00 N ATOM 961 CA ARG A 62 -2.609 15.332 6.419 1.00 0.00 C ATOM 962 C ARG A 62 -3.304 13.979 6.294 1.00 0.00 C ATOM 963 O ARG A 62 -2.839 12.980 6.841 1.00 0.00 O ATOM 964 CB ARG A 62 -3.315 16.184 7.476 1.00 0.00 C ATOM 965 CG ARG A 62 -3.341 15.545 8.855 1.00 0.00 C ATOM 966 CD ARG A 62 -4.530 16.029 9.670 1.00 0.00 C ATOM 967 NE ARG A 62 -5.744 15.276 9.367 1.00 0.00 N ATOM 968 CZ ARG A 62 -6.969 15.719 9.630 1.00 0.00 C ATOM 969 NH1 ARG A 62 -7.141 16.904 10.198 1.00 0.00 N ATOM 970 NH2 ARG A 62 -8.024 14.976 9.323 1.00 0.00 N ATOM 0 H ARG A 62 -3.209 16.837 5.089 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.577 15.164 6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.817 17.151 7.542 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.339 16.374 7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.385 14.461 8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.417 15.779 9.383 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.303 15.938 10.732 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.700 17.087 9.470 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.646 14.360 8.930 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.332 17.478 10.434 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.082 17.242 10.399 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.895 14.064 8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.964 15.317 9.525 1.00 0.00 H new ATOM 984 N GLU A 63 -4.420 13.957 5.572 1.00 0.00 N ATOM 985 CA GLU A 63 -5.179 12.727 5.377 1.00 0.00 C ATOM 986 C GLU A 63 -4.461 11.794 4.406 1.00 0.00 C ATOM 987 O GLU A 63 -4.163 10.646 4.738 1.00 0.00 O ATOM 988 CB GLU A 63 -6.580 13.044 4.853 1.00 0.00 C ATOM 989 CG GLU A 63 -7.565 13.430 5.945 1.00 0.00 C ATOM 990 CD GLU A 63 -7.969 12.252 6.809 1.00 0.00 C ATOM 991 OE1 GLU A 63 -8.730 11.391 6.319 1.00 0.00 O ATOM 992 OE2 GLU A 63 -7.525 12.190 7.975 1.00 0.00 O ATOM 0 H GLU A 63 -4.818 14.776 5.113 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.264 12.226 6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.513 13.858 4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.964 12.175 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.121 14.201 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.455 13.864 5.489 1.00 0.00 H new ATOM 999 N ALA A 64 -4.188 12.293 3.206 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.504 11.506 2.187 1.00 0.00 C ATOM 1001 C ALA A 64 -2.494 10.552 2.817 1.00 0.00 C ATOM 1002 O ALA A 64 -2.326 9.422 2.360 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.815 12.421 1.186 1.00 0.00 C ATOM 0 H ALA A 64 -4.430 13.240 2.915 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.251 10.910 1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.309 11.819 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.557 13.058 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.085 13.043 1.704 1.00 0.00 H new ATOM 1009 N ARG A 65 -1.824 11.015 3.866 1.00 0.00 N ATOM 1010 CA ARG A 65 -0.830 10.204 4.557 1.00 0.00 C ATOM 1011 C ARG A 65 -1.492 9.049 5.301 1.00 0.00 C ATOM 1012 O ARG A 65 -1.175 7.883 5.064 1.00 0.00 O ATOM 1013 CB ARG A 65 -0.030 11.064 5.537 1.00 0.00 C ATOM 1014 CG ARG A 65 1.103 10.315 6.220 1.00 0.00 C ATOM 1015 CD ARG A 65 2.217 11.259 6.647 1.00 0.00 C ATOM 1016 NE ARG A 65 3.081 10.661 7.662 1.00 0.00 N ATOM 1017 CZ ARG A 65 2.672 10.351 8.886 1.00 0.00 C ATOM 1018 NH1 ARG A 65 1.418 10.582 9.248 1.00 0.00 N ATOM 1019 NH2 ARG A 65 3.519 9.809 9.753 1.00 0.00 N ATOM 0 H ARG A 65 -1.952 11.949 4.256 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.152 9.791 3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.382 11.921 5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.705 11.457 6.297 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.718 9.787 7.092 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.503 9.561 5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.814 11.532 5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.783 12.180 7.037 1.00 0.00 H new ATOM 0 HE ARG A 65 4.053 10.471 7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.764 10.999 8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.107 10.343 10.189 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.485 9.631 9.479 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.204 9.571 10.693 1.00 0.00 H new ATOM 1033 N ARG A 66 -2.412 9.380 6.200 1.00 0.00 N ATOM 1034 CA ARG A 66 -3.118 8.371 6.980 1.00 0.00 C ATOM 1035 C ARG A 66 -3.909 7.436 6.069 1.00 0.00 C ATOM 1036 O ARG A 66 -3.653 6.233 6.026 1.00 0.00 O ATOM 1037 CB ARG A 66 -4.059 9.037 7.985 1.00 0.00 C ATOM 1038 CG ARG A 66 -4.902 8.052 8.777 1.00 0.00 C ATOM 1039 CD ARG A 66 -4.042 7.192 9.692 1.00 0.00 C ATOM 1040 NE ARG A 66 -3.807 7.834 10.983 1.00 0.00 N ATOM 1041 CZ ARG A 66 -2.799 8.667 11.218 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -1.938 8.960 10.253 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -2.653 9.211 12.419 1.00 0.00 N ATOM 0 H ARG A 66 -2.686 10.340 6.407 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.377 7.783 7.522 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.470 9.637 8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.720 9.721 7.453 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.637 8.596 9.371 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.457 7.413 8.091 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.529 6.230 9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -3.086 6.990 9.208 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.453 7.632 11.746 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.049 8.546 9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.165 9.600 10.436 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.315 8.990 13.163 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.879 9.850 12.599 1.00 0.00 H new ATOM 1057 N ARG A 67 -4.871 7.998 5.345 1.00 0.00 N ATOM 1058 CA ARG A 67 -5.701 7.215 4.438 1.00 0.00 C ATOM 1059 C ARG A 67 -4.867 6.166 3.706 1.00 0.00 C ATOM 1060 O ARG A 67 -5.287 5.019 3.557 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.390 8.131 3.424 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.074 7.381 2.292 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.334 8.290 1.100 1.00 0.00 C ATOM 1064 NE ARG A 67 -6.218 8.292 0.159 1.00 0.00 N ATOM 1065 CZ ARG A 67 -6.322 8.692 -1.104 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -7.485 9.121 -1.573 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -5.260 8.666 -1.899 1.00 0.00 N ATOM 0 H ARG A 67 -5.095 8.993 5.369 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.460 6.703 5.030 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.129 8.742 3.942 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.651 8.813 3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.452 6.541 1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.017 6.965 2.647 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.240 7.965 0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.513 9.306 1.451 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.309 7.969 0.489 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.303 9.145 -0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.562 9.427 -2.543 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.363 8.339 -1.541 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.341 8.973 -2.868 1.00 0.00 H new ATOM 1081 N ALA A 68 -3.684 6.569 3.254 1.00 0.00 N ATOM 1082 CA ALA A 68 -2.791 5.665 2.539 1.00 0.00 C ATOM 1083 C ALA A 68 -2.415 4.468 3.406 1.00 0.00 C ATOM 1084 O ALA A 68 -2.370 3.333 2.931 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.541 6.406 2.087 1.00 0.00 C ATOM 0 H ALA A 68 -3.322 7.515 3.370 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.317 5.293 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.883 5.719 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.823 7.225 1.425 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.020 6.806 2.957 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.144 4.728 4.681 1.00 0.00 N ATOM 1092 CA VAL A 69 -1.772 3.673 5.615 1.00 0.00 C ATOM 1093 C VAL A 69 -2.812 2.558 5.627 1.00 0.00 C ATOM 1094 O VAL A 69 -2.468 1.375 5.624 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.606 4.220 7.045 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.297 3.091 8.016 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.517 5.282 7.085 1.00 0.00 C ATOM 0 H VAL A 69 -2.175 5.662 5.091 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.817 3.273 5.275 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.545 4.682 7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.183 3.497 9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.114 2.369 8.006 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.372 2.597 7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.413 5.658 8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.428 4.846 6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.785 6.103 6.421 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.083 2.942 5.639 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.173 1.975 5.650 1.00 0.00 C ATOM 1109 C ILE A 70 -5.367 1.350 4.272 1.00 0.00 C ATOM 1110 O ILE A 70 -5.373 0.127 4.130 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.496 2.623 6.097 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.328 3.285 7.466 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.607 1.584 6.139 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -7.394 4.313 7.776 1.00 0.00 C ATOM 0 H ILE A 70 -4.384 3.917 5.641 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.899 1.198 6.364 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.770 3.391 5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.343 2.515 8.237 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.350 3.763 7.512 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.536 2.057 6.457 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.740 1.153 5.147 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.342 0.796 6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.211 4.741 8.762 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.366 5.104 7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.374 3.836 7.763 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.523 2.197 3.260 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.715 1.728 1.893 1.00 0.00 C ATOM 1128 C GLU A 71 -4.708 0.634 1.547 1.00 0.00 C ATOM 1129 O GLU A 71 -5.077 -0.434 1.057 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.581 2.889 0.907 1.00 0.00 C ATOM 1131 CG GLU A 71 -6.782 3.821 0.897 1.00 0.00 C ATOM 1132 CD GLU A 71 -6.683 4.889 -0.174 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -5.721 5.685 -0.130 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -7.565 4.930 -1.056 1.00 0.00 O ATOM 0 H GLU A 71 -5.520 3.212 3.361 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.719 1.312 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.688 3.463 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.435 2.488 -0.096 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.689 3.237 0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.875 4.298 1.873 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.433 0.907 1.806 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.372 -0.052 1.523 1.00 0.00 C ATOM 1143 C VAL A 72 -2.490 -1.281 2.417 1.00 0.00 C ATOM 1144 O VAL A 72 -2.641 -2.401 1.932 1.00 0.00 O ATOM 1145 CB VAL A 72 -0.980 0.578 1.716 1.00 0.00 C ATOM 1146 CG1 VAL A 72 0.107 -0.475 1.564 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.771 1.718 0.731 1.00 0.00 C ATOM 0 H VAL A 72 -3.110 1.785 2.212 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.485 -0.352 0.481 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.920 0.985 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.084 -0.012 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.035 -1.255 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.052 -0.913 0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.218 2.152 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.850 1.338 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.531 2.482 0.893 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.421 -1.063 3.727 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.519 -2.153 4.689 1.00 0.00 C ATOM 1159 C GLN A 73 -3.652 -3.106 4.318 1.00 0.00 C ATOM 1160 O GLN A 73 -3.524 -4.323 4.456 1.00 0.00 O ATOM 1161 CB GLN A 73 -2.743 -1.600 6.098 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.462 -1.179 6.797 1.00 0.00 C ATOM 1163 CD GLN A 73 -0.815 -2.315 7.565 1.00 0.00 C ATOM 1164 OE1 GLN A 73 0.151 -2.923 7.101 1.00 0.00 O ATOM 1165 NE2 GLN A 73 -1.346 -2.610 8.745 1.00 0.00 N ATOM 0 H GLN A 73 -2.298 -0.141 4.145 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.581 -2.707 4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.414 -0.743 6.040 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.244 -2.357 6.701 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.758 -0.798 6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.679 -0.360 7.482 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.146 -2.080 9.091 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.954 -3.366 9.306 1.00 0.00 H new ATOM 1174 N THR A 74 -4.760 -2.544 3.845 1.00 0.00 N ATOM 1175 CA THR A 74 -5.915 -3.343 3.455 1.00 0.00 C ATOM 1176 C THR A 74 -5.483 -4.642 2.784 1.00 0.00 C ATOM 1177 O THR A 74 -5.833 -5.733 3.237 1.00 0.00 O ATOM 1178 CB THR A 74 -6.839 -2.565 2.499 1.00 0.00 C ATOM 1179 OG1 THR A 74 -7.071 -1.247 3.007 1.00 0.00 O ATOM 1180 CG2 THR A 74 -8.166 -3.288 2.323 1.00 0.00 C ATOM 0 H THR A 74 -4.882 -1.539 3.723 1.00 0.00 H new ATOM 0 HA THR A 74 -6.463 -3.575 4.368 1.00 0.00 H new ATOM 0 HB THR A 74 -6.348 -2.498 1.528 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.240 -0.730 2.966 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.802 -2.720 1.644 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.988 -4.280 1.909 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.660 -3.382 3.290 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.723 -4.518 1.703 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.242 -5.684 0.968 1.00 0.00 C ATOM 1190 C LEU A 75 -3.442 -6.610 1.877 1.00 0.00 C ATOM 1191 O LEU A 75 -3.799 -7.773 2.065 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.380 -5.245 -0.217 1.00 0.00 C ATOM 1193 CG LEU A 75 -4.136 -4.708 -1.434 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -3.173 -4.054 -2.414 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -4.915 -5.825 -2.113 1.00 0.00 C ATOM 0 H LEU A 75 -4.426 -3.623 1.315 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.109 -6.230 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.690 -4.474 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.775 -6.094 -0.535 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.845 -3.953 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.728 -3.678 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.660 -3.227 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.440 -4.788 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.447 -5.425 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.225 -6.603 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.632 -6.248 -1.410 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.359 -6.084 2.442 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.510 -6.863 3.335 1.00 0.00 C ATOM 1209 C ILE A 76 -2.346 -7.735 4.267 1.00 0.00 C ATOM 1210 O ILE A 76 -1.989 -8.878 4.553 1.00 0.00 O ATOM 1211 CB ILE A 76 -0.599 -5.954 4.181 1.00 0.00 C ATOM 1212 CG1 ILE A 76 0.297 -5.109 3.274 1.00 0.00 C ATOM 1213 CG2 ILE A 76 0.240 -6.788 5.137 1.00 0.00 C ATOM 1214 CD1 ILE A 76 0.816 -3.853 3.938 1.00 0.00 C ATOM 0 H ILE A 76 -2.050 -5.123 2.297 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.890 -7.500 2.704 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.224 -5.283 4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.143 -5.714 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.262 -4.833 2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.879 -6.132 5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.416 -7.350 5.801 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.860 -7.481 4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.444 -3.303 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.024 -3.228 4.240 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.403 -4.122 4.816 1.00 0.00 H new ATOM 1226 N THR A 77 -3.462 -7.187 4.738 1.00 0.00 N ATOM 1227 CA THR A 77 -4.350 -7.914 5.637 1.00 0.00 C ATOM 1228 C THR A 77 -5.171 -8.950 4.879 1.00 0.00 C ATOM 1229 O THR A 77 -5.338 -10.080 5.339 1.00 0.00 O ATOM 1230 CB THR A 77 -5.306 -6.958 6.376 1.00 0.00 C ATOM 1231 OG1 THR A 77 -4.557 -5.951 7.065 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.173 -7.720 7.367 1.00 0.00 C ATOM 0 H THR A 77 -3.772 -6.242 4.512 1.00 0.00 H new ATOM 0 HA THR A 77 -3.717 -8.419 6.367 1.00 0.00 H new ATOM 0 HB THR A 77 -5.954 -6.486 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.152 -5.341 6.413 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.840 -7.025 7.877 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.764 -8.466 6.835 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.537 -8.216 8.100 1.00 0.00 H new ATOM 1240 N TYR A 78 -5.681 -8.560 3.717 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.486 -9.456 2.895 1.00 0.00 C ATOM 1242 C TYR A 78 -5.842 -10.836 2.802 1.00 0.00 C ATOM 1243 O TYR A 78 -6.513 -11.858 2.950 1.00 0.00 O ATOM 1244 CB TYR A 78 -6.670 -8.871 1.494 1.00 0.00 C ATOM 1245 CG TYR A 78 -6.946 -9.913 0.434 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.206 -10.481 0.302 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -5.945 -10.328 -0.436 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -8.462 -11.434 -0.665 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -6.192 -11.280 -1.406 1.00 0.00 C ATOM 1250 CZ TYR A 78 -7.452 -11.830 -1.517 1.00 0.00 C ATOM 1251 OH TYR A 78 -7.703 -12.778 -2.482 1.00 0.00 O ATOM 0 H TYR A 78 -5.551 -7.628 3.322 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.462 -9.562 3.368 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.493 -8.157 1.513 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.773 -8.316 1.221 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.000 -10.173 0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.957 -9.899 -0.352 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.448 -11.867 -0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.403 -11.592 -2.074 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.887 -12.943 -2.998 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.536 -10.856 2.556 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.800 -12.110 2.445 1.00 0.00 C ATOM 1263 C ILE A 79 -3.904 -12.924 3.729 1.00 0.00 C ATOM 1264 O ILE A 79 -4.422 -14.041 3.728 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.314 -11.863 2.126 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.170 -11.145 0.782 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.549 -13.178 2.113 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -2.206 -9.637 0.897 1.00 0.00 C ATOM 0 H ILE A 79 -3.966 -10.019 2.430 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.251 -12.670 1.626 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.892 -11.227 2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.230 -11.444 0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.971 -11.470 0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.500 -12.987 1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.628 -13.654 3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.970 -13.836 1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.099 -9.194 -0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.157 -9.328 1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.389 -9.301 1.535 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.410 -12.358 4.825 1.00 0.00 N ATOM 1281 CA ASP A 80 -3.449 -13.030 6.118 1.00 0.00 C ATOM 1282 C ASP A 80 -4.721 -13.863 6.259 1.00 0.00 C ATOM 1283 O ASP A 80 -4.667 -15.042 6.608 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.366 -12.007 7.252 1.00 0.00 C ATOM 1285 CG ASP A 80 -2.858 -12.616 8.544 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -3.014 -13.841 8.724 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -2.307 -11.865 9.376 1.00 0.00 O ATOM 0 H ASP A 80 -2.977 -11.434 4.843 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.590 -13.698 6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.707 -11.191 6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.352 -11.575 7.420 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.862 -13.240 5.986 1.00 0.00 N ATOM 1293 CA LEU A 81 -7.147 -13.923 6.082 1.00 0.00 C ATOM 1294 C LEU A 81 -7.171 -15.169 5.202 1.00 0.00 C ATOM 1295 O LEU A 81 -7.541 -16.253 5.653 1.00 0.00 O ATOM 1296 CB LEU A 81 -8.281 -12.978 5.678 1.00 0.00 C ATOM 1297 CG LEU A 81 -8.794 -12.040 6.771 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -9.714 -12.784 7.726 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -7.631 -11.414 7.527 1.00 0.00 C ATOM 0 H LEU A 81 -5.923 -12.264 5.697 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.289 -14.230 7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.941 -12.373 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.117 -13.578 5.320 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.365 -11.241 6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.069 -12.100 8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.566 -13.182 7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.168 -13.604 8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.016 -10.750 8.301 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.032 -12.199 7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.011 -10.844 6.835 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.770 -15.007 3.946 1.00 0.00 N ATOM 1312 CA LYS A 82 -6.742 -16.118 3.002 1.00 0.00 C ATOM 1313 C LYS A 82 -5.685 -17.144 3.403 1.00 0.00 C ATOM 1314 O LYS A 82 -6.002 -18.300 3.676 1.00 0.00 O ATOM 1315 CB LYS A 82 -6.461 -15.606 1.588 1.00 0.00 C ATOM 1316 CG LYS A 82 -7.522 -14.651 1.065 1.00 0.00 C ATOM 1317 CD LYS A 82 -8.812 -15.381 0.733 1.00 0.00 C ATOM 1318 CE LYS A 82 -10.021 -14.471 0.884 1.00 0.00 C ATOM 1319 NZ LYS A 82 -10.388 -14.269 2.313 1.00 0.00 N ATOM 0 H LYS A 82 -6.460 -14.116 3.558 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.719 -16.602 3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.494 -15.103 1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.384 -16.457 0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.720 -13.881 1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.150 -14.144 0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.765 -15.759 -0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.921 -16.245 1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.809 -13.506 0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.868 -14.900 0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.283 -13.743 2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.499 -15.193 2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.638 -13.730 2.791 1.00 0.00 H new ATOM 1333 N GLU A 83 -4.429 -16.710 3.433 1.00 0.00 N ATOM 1334 CA GLU A 83 -3.326 -17.591 3.801 1.00 0.00 C ATOM 1335 C GLU A 83 -3.756 -18.580 4.881 1.00 0.00 C ATOM 1336 O GLU A 83 -3.511 -19.781 4.771 1.00 0.00 O ATOM 1337 CB GLU A 83 -2.130 -16.773 4.290 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.169 -16.376 3.182 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.085 -17.410 2.951 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.929 -17.379 3.679 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -0.251 -18.252 2.044 1.00 0.00 O ATOM 0 H GLU A 83 -4.150 -15.755 3.207 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.033 -18.153 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.494 -15.872 4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.588 -17.350 5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.727 -16.228 2.258 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.707 -15.421 3.432 1.00 0.00 H new