USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 786 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 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 93 SER OG : rot 99:sc= 1.42 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -164:sc= -1.01 USER MOD Single : A 18 TYR OH : rot 116:sc= 1.4 USER MOD Single : A 24 MET CE :methyl 167:sc= -3.79! (180deg=-4.62!) USER MOD Single : A 28 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.8!) USER MOD Single : A 38 ASN : amide:sc= -6.82! C(o=-6.8!,f=-9.5!) USER MOD Single : A 40 GLN : amide:sc= -4.28 K(o=-4.3,f=-11!) USER MOD Single : A 52 THR OG1 : rot 69:sc= 0.433 USER MOD Single : A 78 ASN : amide:sc= -0.982 K(o=-0.98,f=-0.39) USER MOD Single : A 80 GLN : amide:sc= -1.02 K(o=-1,f=-2.4!) USER MOD Single : A 83 MET CE :methyl -132:sc= -0.259 (180deg=-0.536) USER MOD Single : A 89 LYS NZ :NH3+ 166:sc= 0.331 (180deg=-0.223) USER MOD Single : A 94 HIS : no HD1:sc= -7.53! C(o=-7.5!,f=-4.6!) USER MOD Single : A 102 HIS : no HD1:sc= -7.63! K(o=-7.6!,f=-3.2) USER MOD Single : A 106 LYS NZ :NH3+ -152:sc= -0.0873 (180deg=-0.522) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LYS A 6 185.975 -9.596 2.208 1.00 0.00 N ATOM 81 CA LYS A 6 185.843 -8.669 1.090 1.00 0.00 C ATOM 82 C LYS A 6 184.789 -7.607 1.387 1.00 0.00 C ATOM 83 O LYS A 6 184.263 -7.534 2.498 1.00 0.00 O ATOM 84 CB LYS A 6 185.478 -9.428 -0.189 1.00 0.00 C ATOM 85 CG LYS A 6 186.621 -9.523 -1.186 1.00 0.00 C ATOM 86 CD LYS A 6 187.075 -8.147 -1.646 1.00 0.00 C ATOM 87 CE LYS A 6 186.420 -7.755 -2.960 1.00 0.00 C ATOM 88 NZ LYS A 6 186.149 -6.292 -3.032 1.00 0.00 N ATOM 0 HA LYS A 6 186.802 -8.172 0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 6 185.153 -10.434 0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 6 184.631 -8.934 -0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 6 187.459 -10.051 -0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 6 186.305 -10.110 -2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 6 186.832 -7.408 -0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 6 188.159 -8.140 -1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 6 187.066 -8.046 -3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 6 185.485 -8.303 -3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 185.702 -6.066 -3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 185.512 -6.018 -2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 187.044 -5.769 -2.946 1.00 0.00 H new ATOM 102 N LYS A 7 184.486 -6.784 0.388 1.00 0.00 N ATOM 103 CA LYS A 7 183.496 -5.726 0.545 1.00 0.00 C ATOM 104 C LYS A 7 182.627 -5.601 -0.702 1.00 0.00 C ATOM 105 O LYS A 7 182.786 -6.355 -1.662 1.00 0.00 O ATOM 106 CB LYS A 7 184.185 -4.392 0.837 1.00 0.00 C ATOM 107 CG LYS A 7 184.572 -4.213 2.297 1.00 0.00 C ATOM 108 CD LYS A 7 184.243 -2.814 2.798 1.00 0.00 C ATOM 109 CE LYS A 7 185.502 -1.996 3.037 1.00 0.00 C ATOM 110 NZ LYS A 7 185.245 -0.826 3.922 1.00 0.00 N ATOM 0 H LYS A 7 184.912 -6.830 -0.538 1.00 0.00 H new ATOM 0 HA LYS A 7 182.854 -5.987 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 7 185.080 -4.312 0.220 1.00 0.00 H new ATOM 0 HB3 LYS A 7 183.522 -3.578 0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 7 184.048 -4.950 2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 7 185.639 -4.401 2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 7 183.610 -2.306 2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 7 183.672 -2.883 3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 7 186.267 -2.630 3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 7 185.896 -1.649 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 186.128 -0.295 4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 184.534 -0.208 3.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 184.893 -1.158 4.843 1.00 0.00 H new ATOM 124 N LEU A 8 181.708 -4.641 -0.680 1.00 0.00 N ATOM 125 CA LEU A 8 180.811 -4.411 -1.806 1.00 0.00 C ATOM 126 C LEU A 8 181.119 -3.079 -2.482 1.00 0.00 C ATOM 127 O LEU A 8 181.386 -2.080 -1.814 1.00 0.00 O ATOM 128 CB LEU A 8 179.355 -4.429 -1.332 1.00 0.00 C ATOM 129 CG LEU A 8 178.510 -5.592 -1.855 1.00 0.00 C ATOM 130 CD1 LEU A 8 177.069 -5.454 -1.389 1.00 0.00 C ATOM 131 CD2 LEU A 8 178.575 -5.653 -3.374 1.00 0.00 C ATOM 0 H LEU A 8 181.565 -4.009 0.107 1.00 0.00 H new ATOM 0 HA LEU A 8 180.963 -5.210 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.346 -4.456 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 8 178.881 -3.494 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 8 178.914 -6.521 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 8 176.482 -6.290 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 8 177.037 -5.455 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 8 176.654 -4.518 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 8 177.969 -6.486 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 8 178.194 -4.721 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 8 179.609 -5.796 -3.688 1.00 0.00 H new ATOM 143 N ASP A 9 181.074 -3.070 -3.809 1.00 0.00 N ATOM 144 CA ASP A 9 181.342 -1.857 -4.570 1.00 0.00 C ATOM 145 C ASP A 9 180.201 -0.857 -4.403 1.00 0.00 C ATOM 146 O ASP A 9 179.049 -1.247 -4.216 1.00 0.00 O ATOM 147 CB ASP A 9 181.536 -2.189 -6.051 1.00 0.00 C ATOM 148 CG ASP A 9 182.995 -2.390 -6.410 1.00 0.00 C ATOM 149 OD1 ASP A 9 183.603 -3.356 -5.903 1.00 0.00 O ATOM 150 OD2 ASP A 9 183.530 -1.582 -7.198 1.00 0.00 O ATOM 0 H ASP A 9 180.855 -3.887 -4.379 1.00 0.00 H new ATOM 0 HA ASP A 9 182.258 -1.408 -4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 9 180.977 -3.092 -6.295 1.00 0.00 H new ATOM 0 HB3 ASP A 9 181.122 -1.384 -6.659 1.00 0.00 H new ATOM 155 N PRO A 10 180.505 0.450 -4.466 1.00 0.00 N ATOM 156 CA PRO A 10 179.493 1.501 -4.318 1.00 0.00 C ATOM 157 C PRO A 10 178.287 1.279 -5.225 1.00 0.00 C ATOM 158 O PRO A 10 177.157 1.146 -4.753 1.00 0.00 O ATOM 159 CB PRO A 10 180.242 2.771 -4.726 1.00 0.00 C ATOM 160 CG PRO A 10 181.672 2.476 -4.431 1.00 0.00 C ATOM 161 CD PRO A 10 181.854 1.005 -4.685 1.00 0.00 C ATOM 0 HA PRO A 10 179.085 1.535 -3.308 1.00 0.00 H new ATOM 0 HB2 PRO A 10 180.094 2.997 -5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 10 179.891 3.636 -4.163 1.00 0.00 H new ATOM 0 HG2 PRO A 10 182.331 3.066 -5.068 1.00 0.00 H new ATOM 0 HG3 PRO A 10 181.917 2.727 -3.399 1.00 0.00 H new ATOM 0 HD2 PRO A 10 182.208 0.813 -5.698 1.00 0.00 H new ATOM 0 HD3 PRO A 10 182.584 0.567 -4.004 1.00 0.00 H new ATOM 169 N ASP A 11 178.535 1.239 -6.530 1.00 0.00 N ATOM 170 CA ASP A 11 177.470 1.033 -7.505 1.00 0.00 C ATOM 171 C ASP A 11 176.883 -0.371 -7.388 1.00 0.00 C ATOM 172 O ASP A 11 175.734 -0.606 -7.762 1.00 0.00 O ATOM 173 CB ASP A 11 177.999 1.265 -8.923 1.00 0.00 C ATOM 174 CG ASP A 11 177.193 2.304 -9.678 1.00 0.00 C ATOM 175 OD1 ASP A 11 176.664 3.231 -9.030 1.00 0.00 O ATOM 176 OD2 ASP A 11 177.091 2.191 -10.918 1.00 0.00 O ATOM 0 H ASP A 11 179.464 1.347 -6.937 1.00 0.00 H new ATOM 0 HA ASP A 11 176.678 1.752 -7.297 1.00 0.00 H new ATOM 0 HB2 ASP A 11 179.040 1.584 -8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 11 177.980 0.324 -9.473 1.00 0.00 H new ATOM 181 N THR A 12 177.677 -1.303 -6.868 1.00 0.00 N ATOM 182 CA THR A 12 177.230 -2.682 -6.708 1.00 0.00 C ATOM 183 C THR A 12 176.285 -2.818 -5.518 1.00 0.00 C ATOM 184 O THR A 12 175.256 -3.486 -5.608 1.00 0.00 O ATOM 185 CB THR A 12 178.429 -3.615 -6.529 1.00 0.00 C ATOM 186 OG1 THR A 12 179.290 -3.546 -7.653 1.00 0.00 O ATOM 187 CG2 THR A 12 178.035 -5.066 -6.339 1.00 0.00 C ATOM 0 H THR A 12 178.631 -1.128 -6.551 1.00 0.00 H new ATOM 0 HA THR A 12 176.690 -2.965 -7.611 1.00 0.00 H new ATOM 0 HB THR A 12 178.932 -3.271 -5.625 1.00 0.00 H new ATOM 0 HG1 THR A 12 179.900 -4.313 -7.645 1.00 0.00 H new ATOM 0 HG21 THR A 12 178.932 -5.674 -6.218 1.00 0.00 H new ATOM 0 HG22 THR A 12 177.410 -5.160 -5.451 1.00 0.00 H new ATOM 0 HG23 THR A 12 177.479 -5.409 -7.212 1.00 0.00 H new ATOM 195 N ALA A 13 176.635 -2.172 -4.409 1.00 0.00 N ATOM 196 CA ALA A 13 175.813 -2.217 -3.205 1.00 0.00 C ATOM 197 C ALA A 13 174.466 -1.542 -3.438 1.00 0.00 C ATOM 198 O ALA A 13 173.463 -1.906 -2.823 1.00 0.00 O ATOM 199 CB ALA A 13 176.542 -1.559 -2.043 1.00 0.00 C ATOM 0 H ALA A 13 177.482 -1.611 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 13 175.629 -3.262 -2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 13 175.917 -1.600 -1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 13 177.477 -2.086 -1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 13 176.755 -0.519 -2.289 1.00 0.00 H new ATOM 205 N ILE A 14 174.450 -0.561 -4.334 1.00 0.00 N ATOM 206 CA ILE A 14 173.223 0.158 -4.653 1.00 0.00 C ATOM 207 C ILE A 14 172.363 -0.650 -5.619 1.00 0.00 C ATOM 208 O ILE A 14 171.215 -0.978 -5.319 1.00 0.00 O ATOM 209 CB ILE A 14 173.519 1.541 -5.269 1.00 0.00 C ATOM 210 CG1 ILE A 14 174.447 2.342 -4.354 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.224 2.303 -5.514 1.00 0.00 C ATOM 212 CD1 ILE A 14 175.202 3.440 -5.071 1.00 0.00 C ATOM 0 H ILE A 14 175.271 -0.246 -4.851 1.00 0.00 H new ATOM 0 HA ILE A 14 172.683 0.304 -3.717 1.00 0.00 H new ATOM 0 HB ILE A 14 174.018 1.395 -6.227 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.859 2.782 -3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 14 175.163 1.663 -3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 14 172.451 3.276 -5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 14 171.593 1.738 -6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 14 171.699 2.441 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.840 3.966 -4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 14 175.817 3.004 -5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 14 174.493 4.142 -5.511 1.00 0.00 H new ATOM 224 N ASP A 15 172.929 -0.963 -6.782 1.00 0.00 N ATOM 225 CA ASP A 15 172.223 -1.731 -7.807 1.00 0.00 C ATOM 226 C ASP A 15 171.468 -2.915 -7.204 1.00 0.00 C ATOM 227 O ASP A 15 170.332 -3.199 -7.589 1.00 0.00 O ATOM 228 CB ASP A 15 173.210 -2.230 -8.864 1.00 0.00 C ATOM 229 CG ASP A 15 173.372 -1.254 -10.012 1.00 0.00 C ATOM 230 OD1 ASP A 15 173.525 -0.043 -9.745 1.00 0.00 O ATOM 231 OD2 ASP A 15 173.345 -1.699 -11.179 1.00 0.00 O ATOM 0 H ASP A 15 173.879 -0.696 -7.040 1.00 0.00 H new ATOM 0 HA ASP A 15 171.493 -1.068 -8.273 1.00 0.00 H new ATOM 0 HB2 ASP A 15 174.180 -2.402 -8.398 1.00 0.00 H new ATOM 0 HB3 ASP A 15 172.868 -3.189 -9.252 1.00 0.00 H new ATOM 236 N ILE A 16 172.098 -3.601 -6.253 1.00 0.00 N ATOM 237 CA ILE A 16 171.467 -4.746 -5.606 1.00 0.00 C ATOM 238 C ILE A 16 170.319 -4.303 -4.705 1.00 0.00 C ATOM 239 O ILE A 16 169.244 -4.902 -4.717 1.00 0.00 O ATOM 240 CB ILE A 16 172.471 -5.581 -4.781 1.00 0.00 C ATOM 241 CG1 ILE A 16 173.396 -4.680 -3.960 1.00 0.00 C ATOM 242 CG2 ILE A 16 173.284 -6.484 -5.698 1.00 0.00 C ATOM 243 CD1 ILE A 16 173.306 -4.925 -2.473 1.00 0.00 C ATOM 0 H ILE A 16 173.037 -3.386 -5.916 1.00 0.00 H new ATOM 0 HA ILE A 16 171.079 -5.375 -6.407 1.00 0.00 H new ATOM 0 HB ILE A 16 171.905 -6.202 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 16 174.425 -4.836 -4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 16 173.151 -3.638 -4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 16 173.988 -7.067 -5.104 1.00 0.00 H new ATOM 0 HG22 ILE A 16 172.614 -7.158 -6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 16 173.833 -5.874 -6.416 1.00 0.00 H new ATOM 0 HD11 ILE A 16 173.988 -4.253 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 16 172.286 -4.741 -2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 16 173.579 -5.958 -2.257 1.00 0.00 H new ATOM 255 N ALA A 17 170.543 -3.242 -3.933 1.00 0.00 N ATOM 256 CA ALA A 17 169.512 -2.724 -3.043 1.00 0.00 C ATOM 257 C ALA A 17 168.326 -2.212 -3.848 1.00 0.00 C ATOM 258 O ALA A 17 167.172 -2.498 -3.529 1.00 0.00 O ATOM 259 CB ALA A 17 170.069 -1.616 -2.166 1.00 0.00 C ATOM 0 H ALA A 17 171.424 -2.728 -3.907 1.00 0.00 H new ATOM 0 HA ALA A 17 169.174 -3.537 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 17 169.284 -1.243 -1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 17 170.890 -2.006 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.433 -0.803 -2.794 1.00 0.00 H new ATOM 265 N TYR A 18 168.622 -1.459 -4.904 1.00 0.00 N ATOM 266 CA TYR A 18 167.587 -0.911 -5.773 1.00 0.00 C ATOM 267 C TYR A 18 166.636 -2.013 -6.222 1.00 0.00 C ATOM 268 O TYR A 18 165.413 -1.862 -6.163 1.00 0.00 O ATOM 269 CB TYR A 18 168.225 -0.242 -6.991 1.00 0.00 C ATOM 270 CG TYR A 18 167.413 0.899 -7.558 1.00 0.00 C ATOM 271 CD1 TYR A 18 166.421 0.669 -8.503 1.00 0.00 C ATOM 272 CD2 TYR A 18 167.642 2.207 -7.152 1.00 0.00 C ATOM 273 CE1 TYR A 18 165.679 1.711 -9.027 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.905 3.254 -7.670 1.00 0.00 C ATOM 275 CZ TYR A 18 165.925 3.001 -8.607 1.00 0.00 C ATOM 276 OH TYR A 18 165.190 4.042 -9.127 1.00 0.00 O ATOM 0 H TYR A 18 169.573 -1.214 -5.178 1.00 0.00 H new ATOM 0 HA TYR A 18 167.021 -0.165 -5.215 1.00 0.00 H new ATOM 0 HB2 TYR A 18 169.212 0.130 -6.714 1.00 0.00 H new ATOM 0 HB3 TYR A 18 168.373 -0.991 -7.769 1.00 0.00 H new ATOM 0 HD1 TYR A 18 166.226 -0.341 -8.834 1.00 0.00 H new ATOM 0 HD2 TYR A 18 168.409 2.409 -6.419 1.00 0.00 H new ATOM 0 HE1 TYR A 18 164.911 1.516 -9.761 1.00 0.00 H new ATOM 0 HE2 TYR A 18 167.095 4.266 -7.343 1.00 0.00 H new ATOM 0 HH TYR A 18 164.661 4.457 -8.414 1.00 0.00 H new ATOM 286 N ASP A 19 167.211 -3.129 -6.657 1.00 0.00 N ATOM 287 CA ASP A 19 166.422 -4.267 -7.103 1.00 0.00 C ATOM 288 C ASP A 19 165.562 -4.800 -5.962 1.00 0.00 C ATOM 289 O ASP A 19 164.496 -5.367 -6.191 1.00 0.00 O ATOM 290 CB ASP A 19 167.336 -5.374 -7.635 1.00 0.00 C ATOM 291 CG ASP A 19 166.811 -5.988 -8.918 1.00 0.00 C ATOM 292 OD1 ASP A 19 166.760 -5.272 -9.941 1.00 0.00 O ATOM 293 OD2 ASP A 19 166.453 -7.184 -8.901 1.00 0.00 O ATOM 0 H ASP A 19 168.220 -3.268 -6.709 1.00 0.00 H new ATOM 0 HA ASP A 19 165.767 -3.936 -7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 19 168.332 -4.967 -7.811 1.00 0.00 H new ATOM 0 HB3 ASP A 19 167.439 -6.152 -6.878 1.00 0.00 H new ATOM 298 N ILE A 20 166.033 -4.607 -4.730 1.00 0.00 N ATOM 299 CA ILE A 20 165.302 -5.065 -3.553 1.00 0.00 C ATOM 300 C ILE A 20 164.108 -4.165 -3.263 1.00 0.00 C ATOM 301 O ILE A 20 163.090 -4.625 -2.750 1.00 0.00 O ATOM 302 CB ILE A 20 166.211 -5.121 -2.304 1.00 0.00 C ATOM 303 CG1 ILE A 20 167.376 -6.086 -2.533 1.00 0.00 C ATOM 304 CG2 ILE A 20 165.410 -5.538 -1.076 1.00 0.00 C ATOM 305 CD1 ILE A 20 168.551 -5.846 -1.609 1.00 0.00 C ATOM 0 H ILE A 20 166.915 -4.138 -4.523 1.00 0.00 H new ATOM 0 HA ILE A 20 164.948 -6.072 -3.775 1.00 0.00 H new ATOM 0 HB ILE A 20 166.615 -4.124 -2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 20 167.022 -7.108 -2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 20 167.713 -5.998 -3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 20 166.067 -5.572 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 20 164.612 -4.817 -0.900 1.00 0.00 H new ATOM 0 HG23 ILE A 20 164.977 -6.524 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 20 169.339 -6.566 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 20 168.931 -4.835 -1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 20 168.230 -5.963 -0.574 1.00 0.00 H new ATOM 317 N PHE A 21 164.224 -2.884 -3.599 1.00 0.00 N ATOM 318 CA PHE A 21 163.134 -1.946 -3.372 1.00 0.00 C ATOM 319 C PHE A 21 161.959 -2.263 -4.291 1.00 0.00 C ATOM 320 O PHE A 21 160.822 -2.384 -3.840 1.00 0.00 O ATOM 321 CB PHE A 21 163.613 -0.503 -3.596 1.00 0.00 C ATOM 322 CG PHE A 21 162.501 0.505 -3.758 1.00 0.00 C ATOM 323 CD1 PHE A 21 161.289 0.332 -3.110 1.00 0.00 C ATOM 324 CD2 PHE A 21 162.669 1.620 -4.567 1.00 0.00 C ATOM 325 CE1 PHE A 21 160.266 1.247 -3.264 1.00 0.00 C ATOM 326 CE2 PHE A 21 161.648 2.539 -4.726 1.00 0.00 C ATOM 327 CZ PHE A 21 160.445 2.350 -4.074 1.00 0.00 C ATOM 0 H PHE A 21 165.055 -2.476 -4.026 1.00 0.00 H new ATOM 0 HA PHE A 21 162.803 -2.045 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 21 164.237 -0.205 -2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 21 164.244 -0.476 -4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 21 161.142 -0.530 -2.476 1.00 0.00 H new ATOM 0 HD2 PHE A 21 163.608 1.772 -5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 21 159.327 1.100 -2.751 1.00 0.00 H new ATOM 0 HE2 PHE A 21 161.791 3.403 -5.359 1.00 0.00 H new ATOM 0 HZ PHE A 21 159.645 3.065 -4.198 1.00 0.00 H new ATOM 337 N LEU A 22 162.241 -2.388 -5.580 1.00 0.00 N ATOM 338 CA LEU A 22 161.203 -2.680 -6.563 1.00 0.00 C ATOM 339 C LEU A 22 160.676 -4.108 -6.420 1.00 0.00 C ATOM 340 O LEU A 22 159.617 -4.439 -6.954 1.00 0.00 O ATOM 341 CB LEU A 22 161.746 -2.465 -7.978 1.00 0.00 C ATOM 342 CG LEU A 22 161.991 -1.003 -8.389 1.00 0.00 C ATOM 343 CD1 LEU A 22 162.060 -0.082 -7.176 1.00 0.00 C ATOM 344 CD2 LEU A 22 163.268 -0.897 -9.207 1.00 0.00 C ATOM 0 H LEU A 22 163.178 -2.292 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 22 160.373 -1.997 -6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 22 162.685 -3.011 -8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 22 161.046 -2.909 -8.686 1.00 0.00 H new ATOM 0 HG LEU A 22 161.147 -0.681 -8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 22 162.234 0.942 -7.506 1.00 0.00 H new ATOM 0 HD12 LEU A 22 161.119 -0.132 -6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 22 162.876 -0.397 -6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 22 163.432 0.142 -9.493 1.00 0.00 H new ATOM 0 HD22 LEU A 22 164.111 -1.247 -8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 22 163.178 -1.510 -10.104 1.00 0.00 H new ATOM 356 N GLU A 23 161.419 -4.955 -5.713 1.00 0.00 N ATOM 357 CA GLU A 23 161.019 -6.343 -5.523 1.00 0.00 C ATOM 358 C GLU A 23 160.244 -6.530 -4.216 1.00 0.00 C ATOM 359 O GLU A 23 159.163 -7.119 -4.206 1.00 0.00 O ATOM 360 CB GLU A 23 162.262 -7.243 -5.547 1.00 0.00 C ATOM 361 CG GLU A 23 162.161 -8.479 -4.669 1.00 0.00 C ATOM 362 CD GLU A 23 161.042 -9.409 -5.095 1.00 0.00 C ATOM 363 OE1 GLU A 23 161.198 -10.090 -6.131 1.00 0.00 O ATOM 364 OE2 GLU A 23 160.011 -9.458 -4.392 1.00 0.00 O ATOM 0 H GLU A 23 162.299 -4.704 -5.264 1.00 0.00 H new ATOM 0 HA GLU A 23 160.353 -6.624 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 23 162.448 -7.557 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 23 163.125 -6.658 -5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 23 163.108 -9.019 -4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 23 162.000 -8.173 -3.635 1.00 0.00 H new ATOM 371 N MET A 24 160.808 -6.042 -3.115 1.00 0.00 N ATOM 372 CA MET A 24 160.171 -6.177 -1.808 1.00 0.00 C ATOM 373 C MET A 24 158.989 -5.225 -1.657 1.00 0.00 C ATOM 374 O MET A 24 157.931 -5.614 -1.162 1.00 0.00 O ATOM 375 CB MET A 24 161.185 -5.923 -0.691 1.00 0.00 C ATOM 376 CG MET A 24 161.956 -7.166 -0.276 1.00 0.00 C ATOM 377 SD MET A 24 162.673 -7.019 1.372 1.00 0.00 S ATOM 378 CE MET A 24 161.229 -6.571 2.333 1.00 0.00 C ATOM 0 H MET A 24 161.702 -5.551 -3.101 1.00 0.00 H new ATOM 0 HA MET A 24 159.796 -7.198 -1.732 1.00 0.00 H new ATOM 0 HB2 MET A 24 161.891 -5.160 -1.019 1.00 0.00 H new ATOM 0 HB3 MET A 24 160.663 -5.522 0.178 1.00 0.00 H new ATOM 0 HG2 MET A 24 161.290 -8.028 -0.303 1.00 0.00 H new ATOM 0 HG3 MET A 24 162.750 -7.354 -0.998 1.00 0.00 H new ATOM 0 HE1 MET A 24 161.454 -6.669 3.395 1.00 0.00 H new ATOM 0 HE2 MET A 24 160.952 -5.540 2.114 1.00 0.00 H new ATOM 0 HE3 MET A 24 160.401 -7.231 2.075 1.00 0.00 H new ATOM 388 N ALA A 25 159.172 -3.977 -2.075 1.00 0.00 N ATOM 389 CA ALA A 25 158.110 -2.974 -1.971 1.00 0.00 C ATOM 390 C ALA A 25 156.785 -3.503 -2.514 1.00 0.00 C ATOM 391 O ALA A 25 156.751 -4.491 -3.248 1.00 0.00 O ATOM 392 CB ALA A 25 158.505 -1.702 -2.703 1.00 0.00 C ATOM 0 H ALA A 25 160.040 -3.634 -2.487 1.00 0.00 H new ATOM 0 HA ALA A 25 157.974 -2.748 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 25 157.704 -0.968 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 25 159.417 -1.298 -2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 25 158.677 -1.927 -3.756 1.00 0.00 H new ATOM 398 N GLY A 26 155.694 -2.835 -2.149 1.00 0.00 N ATOM 399 CA GLY A 26 154.380 -3.247 -2.607 1.00 0.00 C ATOM 400 C GLY A 26 153.869 -4.475 -1.879 1.00 0.00 C ATOM 401 O GLY A 26 153.143 -5.287 -2.452 1.00 0.00 O ATOM 0 H GLY A 26 155.698 -2.014 -1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 26 153.676 -2.427 -2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 26 154.420 -3.453 -3.677 1.00 0.00 H new ATOM 405 N GLU A 27 154.251 -4.612 -0.614 1.00 0.00 N ATOM 406 CA GLU A 27 153.828 -5.755 0.191 1.00 0.00 C ATOM 407 C GLU A 27 153.755 -5.402 1.676 1.00 0.00 C ATOM 408 O GLU A 27 152.910 -5.924 2.404 1.00 0.00 O ATOM 409 CB GLU A 27 154.786 -6.929 -0.016 1.00 0.00 C ATOM 410 CG GLU A 27 154.493 -7.738 -1.268 1.00 0.00 C ATOM 411 CD GLU A 27 153.121 -8.383 -1.236 1.00 0.00 C ATOM 412 OE1 GLU A 27 152.957 -9.394 -0.520 1.00 0.00 O ATOM 413 OE2 GLU A 27 152.211 -7.878 -1.926 1.00 0.00 O ATOM 0 H GLU A 27 154.851 -3.949 -0.124 1.00 0.00 H new ATOM 0 HA GLU A 27 152.828 -6.038 -0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 27 155.806 -6.550 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 27 154.735 -7.586 0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 27 154.565 -7.089 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 27 155.252 -8.512 -1.382 1.00 0.00 H new ATOM 420 N ASN A 28 154.642 -4.518 2.124 1.00 0.00 N ATOM 421 CA ASN A 28 154.669 -4.107 3.524 1.00 0.00 C ATOM 422 C ASN A 28 154.608 -2.586 3.652 1.00 0.00 C ATOM 423 O ASN A 28 153.948 -2.056 4.546 1.00 0.00 O ATOM 424 CB ASN A 28 155.933 -4.638 4.203 1.00 0.00 C ATOM 425 CG ASN A 28 155.652 -5.211 5.578 1.00 0.00 C ATOM 426 OD1 ASN A 28 154.500 -5.437 5.946 1.00 0.00 O ATOM 427 ND2 ASN A 28 156.709 -5.450 6.346 1.00 0.00 N ATOM 0 H ASN A 28 155.350 -4.074 1.539 1.00 0.00 H new ATOM 0 HA ASN A 28 153.792 -4.526 4.017 1.00 0.00 H new ATOM 0 HB2 ASN A 28 156.383 -5.408 3.576 1.00 0.00 H new ATOM 0 HB3 ASN A 28 156.662 -3.832 4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 28 156.583 -5.836 7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 28 157.647 -5.247 6.000 1.00 0.00 H new ATOM 434 N LEU A 29 155.304 -1.892 2.757 1.00 0.00 N ATOM 435 CA LEU A 29 155.334 -0.433 2.770 1.00 0.00 C ATOM 436 C LEU A 29 153.923 0.152 2.709 1.00 0.00 C ATOM 437 O LEU A 29 153.062 -0.347 1.984 1.00 0.00 O ATOM 438 CB LEU A 29 156.170 0.082 1.597 1.00 0.00 C ATOM 439 CG LEU A 29 156.619 1.539 1.713 1.00 0.00 C ATOM 440 CD1 LEU A 29 157.659 1.869 0.650 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.422 2.461 1.594 1.00 0.00 C ATOM 0 H LEU A 29 155.856 -2.317 2.012 1.00 0.00 H new ATOM 0 HA LEU A 29 155.790 -0.111 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 29 157.054 -0.548 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 29 155.591 -0.032 0.680 1.00 0.00 H new ATOM 0 HG LEU A 29 157.079 1.686 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 29 157.964 2.910 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.527 1.222 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 29 157.231 1.711 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.751 3.497 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 29 154.941 2.310 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.712 2.240 2.391 1.00 0.00 H new ATOM 453 N ASP A 30 153.693 1.207 3.489 1.00 0.00 N ATOM 454 CA ASP A 30 152.387 1.862 3.544 1.00 0.00 C ATOM 455 C ASP A 30 151.934 2.343 2.161 1.00 0.00 C ATOM 456 O ASP A 30 152.720 2.907 1.403 1.00 0.00 O ATOM 457 CB ASP A 30 152.431 3.042 4.517 1.00 0.00 C ATOM 458 CG ASP A 30 152.010 2.650 5.920 1.00 0.00 C ATOM 459 OD1 ASP A 30 152.521 1.631 6.430 1.00 0.00 O ATOM 460 OD2 ASP A 30 151.170 3.363 6.509 1.00 0.00 O ATOM 0 H ASP A 30 154.398 1.628 4.094 1.00 0.00 H new ATOM 0 HA ASP A 30 151.663 1.126 3.895 1.00 0.00 H new ATOM 0 HB2 ASP A 30 153.442 3.449 4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 30 151.777 3.835 4.153 1.00 0.00 H new ATOM 465 N PRO A 31 150.648 2.127 1.819 1.00 0.00 N ATOM 466 CA PRO A 31 150.087 2.536 0.523 1.00 0.00 C ATOM 467 C PRO A 31 150.418 3.980 0.150 1.00 0.00 C ATOM 468 O PRO A 31 150.910 4.248 -0.945 1.00 0.00 O ATOM 469 CB PRO A 31 148.581 2.373 0.726 1.00 0.00 C ATOM 470 CG PRO A 31 148.456 1.302 1.752 1.00 0.00 C ATOM 471 CD PRO A 31 149.638 1.465 2.669 1.00 0.00 C ATOM 0 HA PRO A 31 150.497 1.942 -0.293 1.00 0.00 H new ATOM 0 HB2 PRO A 31 148.123 3.302 1.065 1.00 0.00 H new ATOM 0 HB3 PRO A 31 148.084 2.093 -0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 31 147.520 1.396 2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 31 148.455 0.316 1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 31 149.389 2.070 3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 31 149.994 0.504 3.039 1.00 0.00 H new ATOM 479 N ALA A 32 150.142 4.911 1.057 1.00 0.00 N ATOM 480 CA ALA A 32 150.411 6.325 0.804 1.00 0.00 C ATOM 481 C ALA A 32 151.857 6.542 0.362 1.00 0.00 C ATOM 482 O ALA A 32 152.120 7.063 -0.728 1.00 0.00 O ATOM 483 CB ALA A 32 150.110 7.149 2.047 1.00 0.00 C ATOM 0 H ALA A 32 149.734 4.715 1.971 1.00 0.00 H new ATOM 0 HA ALA A 32 149.759 6.653 -0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 32 150.315 8.200 1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 32 149.061 7.029 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 32 150.738 6.809 2.870 1.00 0.00 H new ATOM 489 N ASP A 33 152.790 6.135 1.217 1.00 0.00 N ATOM 490 CA ASP A 33 154.211 6.277 0.928 1.00 0.00 C ATOM 491 C ASP A 33 154.548 5.692 -0.442 1.00 0.00 C ATOM 492 O ASP A 33 155.460 6.165 -1.120 1.00 0.00 O ATOM 493 CB ASP A 33 155.040 5.593 2.016 1.00 0.00 C ATOM 494 CG ASP A 33 155.226 6.467 3.242 1.00 0.00 C ATOM 495 OD1 ASP A 33 154.798 7.640 3.207 1.00 0.00 O ATOM 496 OD2 ASP A 33 155.802 5.979 4.237 1.00 0.00 O ATOM 0 H ASP A 33 152.586 5.703 2.118 1.00 0.00 H new ATOM 0 HA ASP A 33 154.454 7.339 0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 33 154.553 4.663 2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 33 156.017 5.328 1.611 1.00 0.00 H new ATOM 501 N ILE A 34 153.791 4.677 -0.855 1.00 0.00 N ATOM 502 CA ILE A 34 154.003 4.055 -2.157 1.00 0.00 C ATOM 503 C ILE A 34 153.604 5.026 -3.260 1.00 0.00 C ATOM 504 O ILE A 34 154.347 5.238 -4.218 1.00 0.00 O ATOM 505 CB ILE A 34 153.194 2.746 -2.309 1.00 0.00 C ATOM 506 CG1 ILE A 34 153.727 1.676 -1.357 1.00 0.00 C ATOM 507 CG2 ILE A 34 153.238 2.249 -3.747 1.00 0.00 C ATOM 508 CD1 ILE A 34 152.997 0.354 -1.461 1.00 0.00 C ATOM 0 H ILE A 34 153.031 4.271 -0.310 1.00 0.00 H new ATOM 0 HA ILE A 34 155.062 3.807 -2.237 1.00 0.00 H new ATOM 0 HB ILE A 34 152.155 2.954 -2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 34 154.785 1.514 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.653 2.043 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 34 152.662 1.327 -3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 34 152.811 3.005 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 34 154.272 2.059 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 34 153.429 -0.357 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 34 151.943 0.501 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 34 153.093 -0.036 -2.474 1.00 0.00 H new ATOM 520 N LEU A 35 152.424 5.623 -3.105 1.00 0.00 N ATOM 521 CA LEU A 35 151.912 6.589 -4.072 1.00 0.00 C ATOM 522 C LEU A 35 153.000 7.579 -4.471 1.00 0.00 C ATOM 523 O LEU A 35 153.365 7.677 -5.642 1.00 0.00 O ATOM 524 CB LEU A 35 150.714 7.341 -3.490 1.00 0.00 C ATOM 525 CG LEU A 35 150.033 8.314 -4.456 1.00 0.00 C ATOM 526 CD1 LEU A 35 148.708 7.748 -4.941 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.827 9.667 -3.793 1.00 0.00 C ATOM 0 H LEU A 35 151.802 5.453 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 35 151.592 6.044 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.977 6.613 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 35 151.043 7.895 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 35 150.683 8.451 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 35 148.240 8.454 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 35 148.883 6.804 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 35 148.050 7.580 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 35 149.342 10.346 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 35 149.199 9.548 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.792 10.079 -3.499 1.00 0.00 H new ATOM 539 N LEU A 36 153.526 8.304 -3.488 1.00 0.00 N ATOM 540 CA LEU A 36 154.586 9.275 -3.749 1.00 0.00 C ATOM 541 C LEU A 36 155.776 8.591 -4.417 1.00 0.00 C ATOM 542 O LEU A 36 156.316 9.076 -5.409 1.00 0.00 O ATOM 543 CB LEU A 36 155.033 9.939 -2.445 1.00 0.00 C ATOM 544 CG LEU A 36 154.062 10.976 -1.879 1.00 0.00 C ATOM 545 CD1 LEU A 36 154.142 11.010 -0.360 1.00 0.00 C ATOM 546 CD2 LEU A 36 154.355 12.350 -2.461 1.00 0.00 C ATOM 0 H LEU A 36 153.239 8.239 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 36 154.195 10.041 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 36 155.189 9.163 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.997 10.420 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 36 153.049 10.691 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 36 153.444 11.754 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 36 153.884 10.029 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 36 155.155 11.271 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 36 153.655 13.077 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 36 155.374 12.643 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 36 154.246 12.317 -3.545 1.00 0.00 H new ATOM 558 N PHE A 37 156.174 7.459 -3.852 1.00 0.00 N ATOM 559 CA PHE A 37 157.297 6.678 -4.359 1.00 0.00 C ATOM 560 C PHE A 37 157.218 6.455 -5.872 1.00 0.00 C ATOM 561 O PHE A 37 158.187 6.706 -6.589 1.00 0.00 O ATOM 562 CB PHE A 37 157.345 5.327 -3.641 1.00 0.00 C ATOM 563 CG PHE A 37 158.691 4.980 -3.066 1.00 0.00 C ATOM 564 CD1 PHE A 37 159.857 5.465 -3.640 1.00 0.00 C ATOM 565 CD2 PHE A 37 158.789 4.157 -1.956 1.00 0.00 C ATOM 566 CE1 PHE A 37 161.093 5.137 -3.115 1.00 0.00 C ATOM 567 CE2 PHE A 37 160.022 3.823 -1.429 1.00 0.00 C ATOM 568 CZ PHE A 37 161.175 4.314 -2.009 1.00 0.00 C ATOM 0 H PHE A 37 155.728 7.055 -3.029 1.00 0.00 H new ATOM 0 HA PHE A 37 158.207 7.245 -4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 37 156.609 5.330 -2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 37 157.049 4.546 -4.341 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.798 6.106 -4.507 1.00 0.00 H new ATOM 0 HD2 PHE A 37 157.891 3.772 -1.497 1.00 0.00 H new ATOM 0 HE1 PHE A 37 161.993 5.524 -3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 37 160.084 3.179 -0.564 1.00 0.00 H new ATOM 0 HZ PHE A 37 162.140 4.055 -1.598 1.00 0.00 H new ATOM 578 N ASN A 38 156.077 5.965 -6.355 1.00 0.00 N ATOM 579 CA ASN A 38 155.920 5.698 -7.786 1.00 0.00 C ATOM 580 C ASN A 38 155.605 6.968 -8.569 1.00 0.00 C ATOM 581 O ASN A 38 156.129 7.171 -9.664 1.00 0.00 O ATOM 582 CB ASN A 38 154.842 4.637 -8.049 1.00 0.00 C ATOM 583 CG ASN A 38 153.673 4.709 -7.088 1.00 0.00 C ATOM 584 OD1 ASN A 38 152.968 5.714 -7.020 1.00 0.00 O ATOM 585 ND2 ASN A 38 153.460 3.631 -6.343 1.00 0.00 N ATOM 0 H ASN A 38 155.258 5.747 -5.787 1.00 0.00 H new ATOM 0 HA ASN A 38 156.877 5.311 -8.135 1.00 0.00 H new ATOM 0 HB2 ASN A 38 154.472 4.752 -9.068 1.00 0.00 H new ATOM 0 HB3 ASN A 38 155.294 3.647 -7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 38 152.685 3.614 -5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 38 154.071 2.820 -6.434 1.00 0.00 H new ATOM 592 N LEU A 39 154.754 7.823 -8.014 1.00 0.00 N ATOM 593 CA LEU A 39 154.391 9.061 -8.677 1.00 0.00 C ATOM 594 C LEU A 39 155.551 10.066 -8.636 1.00 0.00 C ATOM 595 O LEU A 39 155.518 11.095 -9.311 1.00 0.00 O ATOM 596 CB LEU A 39 153.121 9.617 -8.037 1.00 0.00 C ATOM 597 CG LEU A 39 153.327 10.738 -7.034 1.00 0.00 C ATOM 598 CD1 LEU A 39 153.220 12.066 -7.744 1.00 0.00 C ATOM 599 CD2 LEU A 39 152.319 10.626 -5.905 1.00 0.00 C ATOM 0 H LEU A 39 154.306 7.679 -7.109 1.00 0.00 H new ATOM 0 HA LEU A 39 154.188 8.868 -9.730 1.00 0.00 H new ATOM 0 HB2 LEU A 39 152.465 9.979 -8.829 1.00 0.00 H new ATOM 0 HB3 LEU A 39 152.599 8.800 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 39 154.321 10.661 -6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 39 153.367 12.874 -7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 39 153.983 12.126 -8.521 1.00 0.00 H new ATOM 0 HD13 LEU A 39 152.233 12.158 -8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 39 152.478 11.436 -5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 39 151.309 10.693 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 39 152.444 9.669 -5.399 1.00 0.00 H new ATOM 611 N GLN A 40 156.588 9.741 -7.861 1.00 0.00 N ATOM 612 CA GLN A 40 157.770 10.592 -7.752 1.00 0.00 C ATOM 613 C GLN A 40 159.034 9.772 -8.044 1.00 0.00 C ATOM 614 O GLN A 40 159.050 8.961 -8.971 1.00 0.00 O ATOM 615 CB GLN A 40 157.866 11.224 -6.358 1.00 0.00 C ATOM 616 CG GLN A 40 156.598 11.898 -5.873 1.00 0.00 C ATOM 617 CD GLN A 40 156.184 13.073 -6.741 1.00 0.00 C ATOM 618 OE1 GLN A 40 156.476 13.108 -7.936 1.00 0.00 O ATOM 619 NE2 GLN A 40 155.495 14.043 -6.146 1.00 0.00 N ATOM 0 H GLN A 40 156.631 8.891 -7.299 1.00 0.00 H new ATOM 0 HA GLN A 40 157.682 11.394 -8.485 1.00 0.00 H new ATOM 0 HB2 GLN A 40 158.145 10.450 -5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 40 158.671 11.959 -6.363 1.00 0.00 H new ATOM 0 HG2 GLN A 40 155.790 11.167 -5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 40 156.745 12.243 -4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 40 155.273 13.976 -5.153 1.00 0.00 H new ATOM 0 HE22 GLN A 40 155.188 14.854 -6.683 1.00 0.00 H new ATOM 628 N PHE A 41 160.090 9.976 -7.250 1.00 0.00 N ATOM 629 CA PHE A 41 161.346 9.249 -7.424 1.00 0.00 C ATOM 630 C PHE A 41 162.102 9.720 -8.667 1.00 0.00 C ATOM 631 O PHE A 41 163.264 10.117 -8.585 1.00 0.00 O ATOM 632 CB PHE A 41 161.095 7.742 -7.515 1.00 0.00 C ATOM 633 CG PHE A 41 162.314 6.929 -7.186 1.00 0.00 C ATOM 634 CD1 PHE A 41 163.446 7.008 -7.979 1.00 0.00 C ATOM 635 CD2 PHE A 41 162.332 6.096 -6.080 1.00 0.00 C ATOM 636 CE1 PHE A 41 164.573 6.271 -7.676 1.00 0.00 C ATOM 637 CE2 PHE A 41 163.457 5.357 -5.769 1.00 0.00 C ATOM 638 CZ PHE A 41 164.580 5.445 -6.568 1.00 0.00 C ATOM 0 H PHE A 41 160.097 10.642 -6.478 1.00 0.00 H new ATOM 0 HA PHE A 41 161.961 9.457 -6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 41 160.288 7.471 -6.834 1.00 0.00 H new ATOM 0 HB3 PHE A 41 160.759 7.494 -8.522 1.00 0.00 H new ATOM 0 HD1 PHE A 41 163.447 7.654 -8.845 1.00 0.00 H new ATOM 0 HD2 PHE A 41 161.456 6.023 -5.453 1.00 0.00 H new ATOM 0 HE1 PHE A 41 165.449 6.340 -8.304 1.00 0.00 H new ATOM 0 HE2 PHE A 41 163.458 4.712 -4.903 1.00 0.00 H new ATOM 0 HZ PHE A 41 165.462 4.870 -6.328 1.00 0.00 H new ATOM 648 N GLU A 42 161.438 9.657 -9.817 1.00 0.00 N ATOM 649 CA GLU A 42 162.041 10.058 -11.085 1.00 0.00 C ATOM 650 C GLU A 42 162.656 11.456 -11.014 1.00 0.00 C ATOM 651 O GLU A 42 163.720 11.700 -11.583 1.00 0.00 O ATOM 652 CB GLU A 42 160.994 10.008 -12.199 1.00 0.00 C ATOM 653 CG GLU A 42 161.524 10.446 -13.555 1.00 0.00 C ATOM 654 CD GLU A 42 160.471 10.373 -14.643 1.00 0.00 C ATOM 655 OE1 GLU A 42 159.435 11.058 -14.513 1.00 0.00 O ATOM 656 OE2 GLU A 42 160.682 9.630 -15.625 1.00 0.00 O ATOM 0 H GLU A 42 160.475 9.330 -9.897 1.00 0.00 H new ATOM 0 HA GLU A 42 162.846 9.355 -11.301 1.00 0.00 H new ATOM 0 HB2 GLU A 42 160.610 8.991 -12.280 1.00 0.00 H new ATOM 0 HB3 GLU A 42 160.153 10.645 -11.924 1.00 0.00 H new ATOM 0 HG2 GLU A 42 161.896 11.468 -13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 42 162.370 9.817 -13.831 1.00 0.00 H new ATOM 663 N GLU A 43 161.981 12.375 -10.331 1.00 0.00 N ATOM 664 CA GLU A 43 162.476 13.745 -10.217 1.00 0.00 C ATOM 665 C GLU A 43 162.411 14.254 -8.779 1.00 0.00 C ATOM 666 O GLU A 43 162.295 15.457 -8.546 1.00 0.00 O ATOM 667 CB GLU A 43 161.674 14.671 -11.136 1.00 0.00 C ATOM 668 CG GLU A 43 162.489 15.244 -12.284 1.00 0.00 C ATOM 669 CD GLU A 43 162.989 16.647 -12.000 1.00 0.00 C ATOM 670 OE1 GLU A 43 162.191 17.474 -11.511 1.00 0.00 O ATOM 671 OE2 GLU A 43 164.178 16.919 -12.268 1.00 0.00 O ATOM 0 H GLU A 43 161.098 12.200 -9.852 1.00 0.00 H new ATOM 0 HA GLU A 43 163.522 13.745 -10.522 1.00 0.00 H new ATOM 0 HB2 GLU A 43 160.826 14.120 -11.543 1.00 0.00 H new ATOM 0 HB3 GLU A 43 161.267 15.492 -10.545 1.00 0.00 H new ATOM 0 HG2 GLU A 43 163.340 14.592 -12.482 1.00 0.00 H new ATOM 0 HG3 GLU A 43 161.879 15.255 -13.188 1.00 0.00 H new ATOM 678 N ARG A 44 162.488 13.341 -7.818 1.00 0.00 N ATOM 679 CA ARG A 44 162.439 13.719 -6.409 1.00 0.00 C ATOM 680 C ARG A 44 163.556 13.054 -5.602 1.00 0.00 C ATOM 681 O ARG A 44 163.710 13.324 -4.411 1.00 0.00 O ATOM 682 CB ARG A 44 161.078 13.360 -5.812 1.00 0.00 C ATOM 683 CG ARG A 44 160.032 14.447 -5.990 1.00 0.00 C ATOM 684 CD ARG A 44 159.392 14.383 -7.367 1.00 0.00 C ATOM 685 NE ARG A 44 159.095 15.713 -7.893 1.00 0.00 N ATOM 686 CZ ARG A 44 158.624 15.940 -9.117 1.00 0.00 C ATOM 687 NH1 ARG A 44 158.401 14.930 -9.948 1.00 0.00 N ATOM 688 NH2 ARG A 44 158.377 17.181 -9.512 1.00 0.00 N ATOM 0 H ARG A 44 162.584 12.340 -7.986 1.00 0.00 H new ATOM 0 HA ARG A 44 162.586 14.798 -6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 44 160.718 12.441 -6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 44 161.200 13.155 -4.748 1.00 0.00 H new ATOM 0 HG2 ARG A 44 159.263 14.342 -5.225 1.00 0.00 H new ATOM 0 HG3 ARG A 44 160.493 15.424 -5.847 1.00 0.00 H new ATOM 0 HD2 ARG A 44 160.059 13.862 -8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 44 158.472 13.800 -7.313 1.00 0.00 H new ATOM 0 HE ARG A 44 159.258 16.516 -7.286 1.00 0.00 H new ATOM 0 HH11 ARG A 44 158.591 13.973 -9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 44 158.040 15.110 -10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 44 158.548 17.962 -8.878 1.00 0.00 H new ATOM 0 HH22 ARG A 44 158.016 17.355 -10.450 1.00 0.00 H new ATOM 702 N GLY A 45 164.335 12.190 -6.249 1.00 0.00 N ATOM 703 CA GLY A 45 165.422 11.517 -5.561 1.00 0.00 C ATOM 704 C GLY A 45 165.492 10.040 -5.890 1.00 0.00 C ATOM 705 O GLY A 45 164.533 9.467 -6.407 1.00 0.00 O ATOM 0 H GLY A 45 164.233 11.945 -7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 45 166.366 11.991 -5.830 1.00 0.00 H new ATOM 0 HA3 GLY A 45 165.298 11.641 -4.485 1.00 0.00 H new ATOM 709 N GLY A 46 166.631 9.421 -5.595 1.00 0.00 N ATOM 710 CA GLY A 46 166.799 8.010 -5.876 1.00 0.00 C ATOM 711 C GLY A 46 167.206 7.214 -4.656 1.00 0.00 C ATOM 712 O GLY A 46 166.440 7.100 -3.699 1.00 0.00 O ATOM 0 H GLY A 46 167.439 9.873 -5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 46 165.865 7.609 -6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 46 167.553 7.886 -6.653 1.00 0.00 H new ATOM 716 N VAL A 47 168.410 6.652 -4.689 1.00 0.00 N ATOM 717 CA VAL A 47 168.910 5.854 -3.581 1.00 0.00 C ATOM 718 C VAL A 47 170.331 6.265 -3.210 1.00 0.00 C ATOM 719 O VAL A 47 171.173 6.484 -4.081 1.00 0.00 O ATOM 720 CB VAL A 47 168.888 4.354 -3.937 1.00 0.00 C ATOM 721 CG1 VAL A 47 169.370 3.506 -2.770 1.00 0.00 C ATOM 722 CG2 VAL A 47 167.491 3.935 -4.368 1.00 0.00 C ATOM 0 H VAL A 47 169.057 6.736 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 47 168.256 6.030 -2.727 1.00 0.00 H new ATOM 0 HB VAL A 47 169.572 4.191 -4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 47 169.344 2.453 -3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 47 170.391 3.788 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 47 168.721 3.669 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 47 167.490 2.874 -4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 47 166.789 4.118 -3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 47 167.191 4.513 -5.242 1.00 0.00 H new ATOM 732 N GLU A 48 170.591 6.366 -1.911 1.00 0.00 N ATOM 733 CA GLU A 48 171.911 6.748 -1.422 1.00 0.00 C ATOM 734 C GLU A 48 172.467 5.682 -0.486 1.00 0.00 C ATOM 735 O GLU A 48 171.777 5.222 0.424 1.00 0.00 O ATOM 736 CB GLU A 48 171.840 8.094 -0.698 1.00 0.00 C ATOM 737 CG GLU A 48 173.186 8.789 -0.574 1.00 0.00 C ATOM 738 CD GLU A 48 173.860 8.997 -1.916 1.00 0.00 C ATOM 739 OE1 GLU A 48 173.542 9.998 -2.592 1.00 0.00 O ATOM 740 OE2 GLU A 48 174.707 8.159 -2.291 1.00 0.00 O ATOM 0 H GLU A 48 169.905 6.189 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 48 172.579 6.841 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 48 171.150 8.748 -1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 48 171.427 7.940 0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 48 173.049 9.754 -0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 48 173.838 8.198 0.068 1.00 0.00 H new ATOM 747 N PHE A 49 173.715 5.289 -0.714 1.00 0.00 N ATOM 748 CA PHE A 49 174.359 4.274 0.109 1.00 0.00 C ATOM 749 C PHE A 49 175.055 4.903 1.312 1.00 0.00 C ATOM 750 O PHE A 49 176.041 5.625 1.164 1.00 0.00 O ATOM 751 CB PHE A 49 175.373 3.487 -0.725 1.00 0.00 C ATOM 752 CG PHE A 49 176.100 2.432 0.056 1.00 0.00 C ATOM 753 CD1 PHE A 49 177.113 2.778 0.935 1.00 0.00 C ATOM 754 CD2 PHE A 49 175.769 1.095 -0.087 1.00 0.00 C ATOM 755 CE1 PHE A 49 177.781 1.811 1.659 1.00 0.00 C ATOM 756 CE2 PHE A 49 176.434 0.122 0.633 1.00 0.00 C ATOM 757 CZ PHE A 49 177.441 0.481 1.508 1.00 0.00 C ATOM 0 H PHE A 49 174.301 5.659 -1.463 1.00 0.00 H new ATOM 0 HA PHE A 49 173.588 3.596 0.475 1.00 0.00 H new ATOM 0 HB2 PHE A 49 174.856 3.017 -1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.100 4.180 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 49 177.383 3.817 1.055 1.00 0.00 H new ATOM 0 HD2 PHE A 49 174.982 0.810 -0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 49 178.568 2.094 2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 49 176.167 -0.918 0.512 1.00 0.00 H new ATOM 0 HZ PHE A 49 177.962 -0.278 2.073 1.00 0.00 H new ATOM 767 N VAL A 50 174.541 4.616 2.504 1.00 0.00 N ATOM 768 CA VAL A 50 175.123 5.145 3.731 1.00 0.00 C ATOM 769 C VAL A 50 175.845 4.045 4.505 1.00 0.00 C ATOM 770 O VAL A 50 175.928 2.902 4.046 1.00 0.00 O ATOM 771 CB VAL A 50 174.058 5.800 4.638 1.00 0.00 C ATOM 772 CG1 VAL A 50 173.398 6.972 3.929 1.00 0.00 C ATOM 773 CG2 VAL A 50 173.017 4.783 5.076 1.00 0.00 C ATOM 0 H VAL A 50 173.724 4.021 2.645 1.00 0.00 H new ATOM 0 HA VAL A 50 175.839 5.912 3.437 1.00 0.00 H new ATOM 0 HB VAL A 50 174.559 6.176 5.530 1.00 0.00 H new ATOM 0 HG11 VAL A 50 172.651 7.420 4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 50 174.153 7.717 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 50 172.916 6.621 3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 50 172.279 5.269 5.714 1.00 0.00 H new ATOM 0 HG22 VAL A 50 172.521 4.368 4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 50 173.503 3.981 5.631 1.00 0.00 H new ATOM 783 N GLU A 51 176.365 4.389 5.678 1.00 0.00 N ATOM 784 CA GLU A 51 177.079 3.423 6.504 1.00 0.00 C ATOM 785 C GLU A 51 176.175 2.859 7.594 1.00 0.00 C ATOM 786 O GLU A 51 175.064 3.343 7.807 1.00 0.00 O ATOM 787 CB GLU A 51 178.313 4.074 7.133 1.00 0.00 C ATOM 788 CG GLU A 51 179.493 3.127 7.278 1.00 0.00 C ATOM 789 CD GLU A 51 180.802 3.857 7.504 1.00 0.00 C ATOM 790 OE1 GLU A 51 180.781 4.928 8.147 1.00 0.00 O ATOM 791 OE2 GLU A 51 181.849 3.358 7.038 1.00 0.00 O ATOM 0 H GLU A 51 176.306 5.326 6.077 1.00 0.00 H new ATOM 0 HA GLU A 51 177.396 2.600 5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 51 178.614 4.926 6.524 1.00 0.00 H new ATOM 0 HB3 GLU A 51 178.047 4.463 8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 51 179.310 2.450 8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 51 179.574 2.513 6.381 1.00 0.00 H new ATOM 798 N THR A 52 176.662 1.832 8.281 1.00 0.00 N ATOM 799 CA THR A 52 175.903 1.197 9.351 1.00 0.00 C ATOM 800 C THR A 52 175.792 2.117 10.561 1.00 0.00 C ATOM 801 O THR A 52 176.613 3.014 10.751 1.00 0.00 O ATOM 802 CB THR A 52 176.565 -0.122 9.757 1.00 0.00 C ATOM 803 OG1 THR A 52 176.559 -1.039 8.678 1.00 0.00 O ATOM 804 CG2 THR A 52 175.894 -0.798 10.935 1.00 0.00 C ATOM 0 H THR A 52 177.581 1.421 8.115 1.00 0.00 H new ATOM 0 HA THR A 52 174.898 0.994 8.980 1.00 0.00 H new ATOM 0 HB THR A 52 177.581 0.146 10.045 1.00 0.00 H new ATOM 0 HG1 THR A 52 177.165 -0.722 7.976 1.00 0.00 H new ATOM 0 HG21 THR A 52 176.416 -1.726 11.167 1.00 0.00 H new ATOM 0 HG22 THR A 52 175.927 -0.137 11.801 1.00 0.00 H new ATOM 0 HG23 THR A 52 174.856 -1.018 10.686 1.00 0.00 H new ATOM 812 N ALA A 53 174.777 1.877 11.382 1.00 0.00 N ATOM 813 CA ALA A 53 174.562 2.670 12.583 1.00 0.00 C ATOM 814 C ALA A 53 175.526 2.232 13.681 1.00 0.00 C ATOM 815 O ALA A 53 176.575 1.653 13.397 1.00 0.00 O ATOM 816 CB ALA A 53 173.117 2.533 13.050 1.00 0.00 C ATOM 0 H ALA A 53 174.089 1.138 11.236 1.00 0.00 H new ATOM 0 HA ALA A 53 174.753 3.719 12.355 1.00 0.00 H new ATOM 0 HB1 ALA A 53 172.967 3.130 13.949 1.00 0.00 H new ATOM 0 HB2 ALA A 53 172.446 2.884 12.266 1.00 0.00 H new ATOM 0 HB3 ALA A 53 172.903 1.487 13.269 1.00 0.00 H new ATOM 822 N ASP A 54 175.166 2.491 14.932 1.00 0.00 N ATOM 823 CA ASP A 54 176.005 2.100 16.053 1.00 0.00 C ATOM 824 C ASP A 54 175.640 0.691 16.502 1.00 0.00 C ATOM 825 O ASP A 54 176.512 -0.127 16.793 1.00 0.00 O ATOM 826 CB ASP A 54 175.844 3.084 17.213 1.00 0.00 C ATOM 827 CG ASP A 54 176.977 4.089 17.279 1.00 0.00 C ATOM 828 OD1 ASP A 54 177.241 4.754 16.255 1.00 0.00 O ATOM 829 OD2 ASP A 54 177.601 4.211 18.354 1.00 0.00 O ATOM 0 H ASP A 54 174.303 2.968 15.193 1.00 0.00 H new ATOM 0 HA ASP A 54 177.047 2.114 15.734 1.00 0.00 H new ATOM 0 HB2 ASP A 54 174.897 3.614 17.108 1.00 0.00 H new ATOM 0 HB3 ASP A 54 175.797 2.531 18.151 1.00 0.00 H new ATOM 834 N ASP A 55 174.339 0.417 16.550 1.00 0.00 N ATOM 835 CA ASP A 55 173.838 -0.891 16.956 1.00 0.00 C ATOM 836 C ASP A 55 172.317 -0.865 17.072 1.00 0.00 C ATOM 837 O ASP A 55 171.753 0.003 17.738 1.00 0.00 O ATOM 838 CB ASP A 55 174.455 -1.316 18.293 1.00 0.00 C ATOM 839 CG ASP A 55 175.055 -2.707 18.236 1.00 0.00 C ATOM 840 OD1 ASP A 55 174.282 -3.688 18.221 1.00 0.00 O ATOM 841 OD2 ASP A 55 176.299 -2.816 18.207 1.00 0.00 O ATOM 0 H ASP A 55 173.609 1.089 16.311 1.00 0.00 H new ATOM 0 HA ASP A 55 174.123 -1.616 16.193 1.00 0.00 H new ATOM 0 HB2 ASP A 55 175.227 -0.601 18.577 1.00 0.00 H new ATOM 0 HB3 ASP A 55 173.690 -1.284 19.069 1.00 0.00 H new ATOM 846 N TRP A 56 171.657 -1.825 16.433 1.00 0.00 N ATOM 847 CA TRP A 56 170.219 -1.916 16.477 1.00 0.00 C ATOM 848 C TRP A 56 169.766 -3.298 16.049 1.00 0.00 C ATOM 849 O TRP A 56 170.421 -3.969 15.261 1.00 0.00 O ATOM 850 CB TRP A 56 169.554 -0.846 15.606 1.00 0.00 C ATOM 851 CG TRP A 56 170.091 -0.713 14.211 1.00 0.00 C ATOM 852 CD1 TRP A 56 171.387 -0.510 13.831 1.00 0.00 C ATOM 853 CD2 TRP A 56 169.318 -0.738 13.006 1.00 0.00 C ATOM 854 NE1 TRP A 56 171.463 -0.403 12.460 1.00 0.00 N ATOM 855 CE2 TRP A 56 170.204 -0.542 11.932 1.00 0.00 C ATOM 856 CE3 TRP A 56 167.958 -0.910 12.737 1.00 0.00 C ATOM 857 CZ2 TRP A 56 169.769 -0.508 10.606 1.00 0.00 C ATOM 858 CZ3 TRP A 56 167.528 -0.880 11.425 1.00 0.00 C ATOM 859 CH2 TRP A 56 168.428 -0.679 10.373 1.00 0.00 C ATOM 0 H TRP A 56 172.108 -2.552 15.877 1.00 0.00 H new ATOM 0 HA TRP A 56 169.910 -1.741 17.507 1.00 0.00 H new ATOM 0 HB2 TRP A 56 168.488 -1.065 15.545 1.00 0.00 H new ATOM 0 HB3 TRP A 56 169.654 0.117 16.107 1.00 0.00 H new ATOM 0 HD1 TRP A 56 172.228 -0.443 14.506 1.00 0.00 H new ATOM 0 HE1 TRP A 56 172.317 -0.246 11.924 1.00 0.00 H new ATOM 0 HE3 TRP A 56 167.254 -1.064 13.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 170.463 -0.353 9.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 166.479 -1.014 11.207 1.00 0.00 H new ATOM 0 HH2 TRP A 56 168.060 -0.658 9.358 1.00 0.00 H new ATOM 870 N GLU A 57 168.642 -3.708 16.588 1.00 0.00 N ATOM 871 CA GLU A 57 168.063 -5.010 16.288 1.00 0.00 C ATOM 872 C GLU A 57 166.682 -5.132 16.924 1.00 0.00 C ATOM 873 O GLU A 57 166.267 -6.217 17.331 1.00 0.00 O ATOM 874 CB GLU A 57 168.975 -6.126 16.798 1.00 0.00 C ATOM 875 CG GLU A 57 169.402 -5.947 18.245 1.00 0.00 C ATOM 876 CD GLU A 57 168.640 -6.851 19.194 1.00 0.00 C ATOM 877 OE1 GLU A 57 169.103 -7.986 19.434 1.00 0.00 O ATOM 878 OE2 GLU A 57 167.579 -6.425 19.696 1.00 0.00 O ATOM 0 H GLU A 57 168.098 -3.153 17.248 1.00 0.00 H new ATOM 0 HA GLU A 57 167.963 -5.105 15.207 1.00 0.00 H new ATOM 0 HB2 GLU A 57 168.460 -7.081 16.695 1.00 0.00 H new ATOM 0 HB3 GLU A 57 169.864 -6.174 16.169 1.00 0.00 H new ATOM 0 HG2 GLU A 57 170.469 -6.151 18.333 1.00 0.00 H new ATOM 0 HG3 GLU A 57 169.251 -4.908 18.539 1.00 0.00 H new ATOM 885 N GLU A 58 165.977 -4.006 17.012 1.00 0.00 N ATOM 886 CA GLU A 58 164.645 -3.978 17.605 1.00 0.00 C ATOM 887 C GLU A 58 163.582 -3.644 16.561 1.00 0.00 C ATOM 888 O GLU A 58 162.418 -4.015 16.711 1.00 0.00 O ATOM 889 CB GLU A 58 164.594 -2.956 18.742 1.00 0.00 C ATOM 890 CG GLU A 58 165.466 -3.324 19.932 1.00 0.00 C ATOM 891 CD GLU A 58 164.667 -3.895 21.087 1.00 0.00 C ATOM 892 OE1 GLU A 58 164.166 -3.101 21.911 1.00 0.00 O ATOM 893 OE2 GLU A 58 164.542 -5.135 21.167 1.00 0.00 O ATOM 0 H GLU A 58 166.308 -3.100 16.679 1.00 0.00 H new ATOM 0 HA GLU A 58 164.435 -4.971 18.002 1.00 0.00 H new ATOM 0 HB2 GLU A 58 164.907 -1.984 18.360 1.00 0.00 H new ATOM 0 HB3 GLU A 58 163.562 -2.850 19.077 1.00 0.00 H new ATOM 0 HG2 GLU A 58 166.214 -4.052 19.618 1.00 0.00 H new ATOM 0 HG3 GLU A 58 166.005 -2.439 20.270 1.00 0.00 H new ATOM 900 N GLU A 59 163.985 -2.949 15.501 1.00 0.00 N ATOM 901 CA GLU A 59 163.053 -2.581 14.440 1.00 0.00 C ATOM 902 C GLU A 59 163.061 -3.627 13.332 1.00 0.00 C ATOM 903 O GLU A 59 162.015 -4.169 12.976 1.00 0.00 O ATOM 904 CB GLU A 59 163.375 -1.194 13.868 1.00 0.00 C ATOM 905 CG GLU A 59 164.860 -0.895 13.745 1.00 0.00 C ATOM 906 CD GLU A 59 165.129 0.508 13.235 1.00 0.00 C ATOM 907 OE1 GLU A 59 164.799 0.786 12.063 1.00 0.00 O ATOM 908 OE2 GLU A 59 165.669 1.327 14.007 1.00 0.00 O ATOM 0 H GLU A 59 164.943 -2.631 15.354 1.00 0.00 H new ATOM 0 HA GLU A 59 162.055 -2.540 14.876 1.00 0.00 H new ATOM 0 HB2 GLU A 59 162.916 -1.105 12.883 1.00 0.00 H new ATOM 0 HB3 GLU A 59 162.916 -0.437 14.503 1.00 0.00 H new ATOM 0 HG2 GLU A 59 165.335 -1.022 14.718 1.00 0.00 H new ATOM 0 HG3 GLU A 59 165.318 -1.618 13.070 1.00 0.00 H new ATOM 915 N ILE A 60 164.242 -3.918 12.790 1.00 0.00 N ATOM 916 CA ILE A 60 164.370 -4.910 11.727 1.00 0.00 C ATOM 917 C ILE A 60 164.266 -6.327 12.287 1.00 0.00 C ATOM 918 O ILE A 60 163.572 -7.176 11.728 1.00 0.00 O ATOM 919 CB ILE A 60 165.709 -4.768 10.965 1.00 0.00 C ATOM 920 CG1 ILE A 60 166.822 -4.291 11.901 1.00 0.00 C ATOM 921 CG2 ILE A 60 165.556 -3.808 9.795 1.00 0.00 C ATOM 922 CD1 ILE A 60 168.208 -4.658 11.430 1.00 0.00 C ATOM 0 H ILE A 60 165.121 -3.482 13.069 1.00 0.00 H new ATOM 0 HA ILE A 60 163.551 -4.729 11.031 1.00 0.00 H new ATOM 0 HB ILE A 60 165.984 -5.749 10.579 1.00 0.00 H new ATOM 0 HG12 ILE A 60 166.758 -3.208 12.005 1.00 0.00 H new ATOM 0 HG13 ILE A 60 166.660 -4.717 12.891 1.00 0.00 H new ATOM 0 HG21 ILE A 60 166.507 -3.720 9.270 1.00 0.00 H new ATOM 0 HG22 ILE A 60 164.797 -4.187 9.110 1.00 0.00 H new ATOM 0 HG23 ILE A 60 165.254 -2.828 10.165 1.00 0.00 H new ATOM 0 HD11 ILE A 60 168.945 -4.287 12.143 1.00 0.00 H new ATOM 0 HD12 ILE A 60 168.291 -5.742 11.353 1.00 0.00 H new ATOM 0 HD13 ILE A 60 168.391 -4.210 10.453 1.00 0.00 H new ATOM 934 N GLY A 61 164.957 -6.575 13.397 1.00 0.00 N ATOM 935 CA GLY A 61 164.923 -7.888 14.016 1.00 0.00 C ATOM 936 C GLY A 61 166.186 -8.694 13.773 1.00 0.00 C ATOM 937 O GLY A 61 166.119 -9.827 13.296 1.00 0.00 O ATOM 0 H GLY A 61 165.540 -5.890 13.878 1.00 0.00 H new ATOM 0 HA2 GLY A 61 164.773 -7.773 15.090 1.00 0.00 H new ATOM 0 HA3 GLY A 61 164.066 -8.442 13.632 1.00 0.00 H new ATOM 941 N VAL A 62 167.339 -8.118 14.113 1.00 0.00 N ATOM 942 CA VAL A 62 168.620 -8.801 13.938 1.00 0.00 C ATOM 943 C VAL A 62 169.790 -7.896 14.308 1.00 0.00 C ATOM 944 O VAL A 62 169.789 -6.704 14.002 1.00 0.00 O ATOM 945 CB VAL A 62 168.815 -9.302 12.493 1.00 0.00 C ATOM 946 CG1 VAL A 62 168.873 -8.139 11.515 1.00 0.00 C ATOM 947 CG2 VAL A 62 170.070 -10.156 12.389 1.00 0.00 C ATOM 0 H VAL A 62 167.412 -7.182 14.511 1.00 0.00 H new ATOM 0 HA VAL A 62 168.599 -9.660 14.609 1.00 0.00 H new ATOM 0 HB VAL A 62 167.956 -9.919 12.230 1.00 0.00 H new ATOM 0 HG11 VAL A 62 169.011 -8.521 10.503 1.00 0.00 H new ATOM 0 HG12 VAL A 62 167.942 -7.574 11.566 1.00 0.00 H new ATOM 0 HG13 VAL A 62 169.707 -7.487 11.774 1.00 0.00 H new ATOM 0 HG21 VAL A 62 170.191 -10.501 11.362 1.00 0.00 H new ATOM 0 HG22 VAL A 62 170.938 -9.564 12.678 1.00 0.00 H new ATOM 0 HG23 VAL A 62 169.981 -11.016 13.052 1.00 0.00 H new ATOM 957 N LEU A 63 170.787 -8.475 14.968 1.00 0.00 N ATOM 958 CA LEU A 63 171.970 -7.728 15.384 1.00 0.00 C ATOM 959 C LEU A 63 172.664 -7.086 14.187 1.00 0.00 C ATOM 960 O LEU A 63 172.786 -7.696 13.125 1.00 0.00 O ATOM 961 CB LEU A 63 172.946 -8.648 16.119 1.00 0.00 C ATOM 962 CG LEU A 63 172.444 -9.184 17.461 1.00 0.00 C ATOM 963 CD1 LEU A 63 172.929 -10.609 17.682 1.00 0.00 C ATOM 964 CD2 LEU A 63 172.898 -8.282 18.598 1.00 0.00 C ATOM 0 H LEU A 63 170.800 -9.461 15.227 1.00 0.00 H new ATOM 0 HA LEU A 63 171.646 -6.935 16.059 1.00 0.00 H new ATOM 0 HB2 LEU A 63 173.182 -9.493 15.473 1.00 0.00 H new ATOM 0 HB3 LEU A 63 173.877 -8.106 16.287 1.00 0.00 H new ATOM 0 HG LEU A 63 171.354 -9.192 17.443 1.00 0.00 H new ATOM 0 HD11 LEU A 63 172.562 -10.974 18.642 1.00 0.00 H new ATOM 0 HD12 LEU A 63 172.554 -11.249 16.883 1.00 0.00 H new ATOM 0 HD13 LEU A 63 174.019 -10.627 17.680 1.00 0.00 H new ATOM 0 HD21 LEU A 63 172.532 -8.678 19.545 1.00 0.00 H new ATOM 0 HD22 LEU A 63 173.987 -8.242 18.618 1.00 0.00 H new ATOM 0 HD23 LEU A 63 172.501 -7.278 18.447 1.00 0.00 H new ATOM 976 N ILE A 64 173.109 -5.847 14.366 1.00 0.00 N ATOM 977 CA ILE A 64 173.783 -5.111 13.303 1.00 0.00 C ATOM 978 C ILE A 64 175.261 -4.905 13.623 1.00 0.00 C ATOM 979 O ILE A 64 175.614 -4.427 14.701 1.00 0.00 O ATOM 980 CB ILE A 64 173.108 -3.743 13.079 1.00 0.00 C ATOM 981 CG1 ILE A 64 171.632 -3.935 12.740 1.00 0.00 C ATOM 982 CG2 ILE A 64 173.804 -2.958 11.980 1.00 0.00 C ATOM 983 CD1 ILE A 64 171.395 -4.899 11.604 1.00 0.00 C ATOM 0 H ILE A 64 173.015 -5.330 15.240 1.00 0.00 H new ATOM 0 HA ILE A 64 173.705 -5.705 12.392 1.00 0.00 H new ATOM 0 HB ILE A 64 173.190 -3.170 14.003 1.00 0.00 H new ATOM 0 HG12 ILE A 64 171.108 -4.294 13.626 1.00 0.00 H new ATOM 0 HG13 ILE A 64 171.198 -2.969 12.482 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.305 -1.998 11.846 1.00 0.00 H new ATOM 0 HG22 ILE A 64 174.845 -2.790 12.256 1.00 0.00 H new ATOM 0 HG23 ILE A 64 173.763 -3.522 11.048 1.00 0.00 H new ATOM 0 HD11 ILE A 64 170.324 -4.986 11.418 1.00 0.00 H new ATOM 0 HD12 ILE A 64 171.890 -4.531 10.705 1.00 0.00 H new ATOM 0 HD13 ILE A 64 171.799 -5.877 11.866 1.00 0.00 H new ATOM 995 N ASP A 65 176.120 -5.271 12.676 1.00 0.00 N ATOM 996 CA ASP A 65 177.561 -5.130 12.851 1.00 0.00 C ATOM 997 C ASP A 65 178.097 -3.946 12.047 1.00 0.00 C ATOM 998 O ASP A 65 178.100 -3.976 10.817 1.00 0.00 O ATOM 999 CB ASP A 65 178.272 -6.415 12.420 1.00 0.00 C ATOM 1000 CG ASP A 65 178.462 -7.384 13.570 1.00 0.00 C ATOM 1001 OD1 ASP A 65 178.983 -6.960 14.624 1.00 0.00 O ATOM 1002 OD2 ASP A 65 178.089 -8.566 13.419 1.00 0.00 O ATOM 0 H ASP A 65 175.842 -5.668 11.778 1.00 0.00 H new ATOM 0 HA ASP A 65 177.758 -4.946 13.907 1.00 0.00 H new ATOM 0 HB2 ASP A 65 177.695 -6.899 11.632 1.00 0.00 H new ATOM 0 HB3 ASP A 65 179.244 -6.164 11.995 1.00 0.00 H new ATOM 1007 N PRO A 66 178.562 -2.881 12.729 1.00 0.00 N ATOM 1008 CA PRO A 66 179.100 -1.694 12.058 1.00 0.00 C ATOM 1009 C PRO A 66 180.361 -2.010 11.259 1.00 0.00 C ATOM 1010 O PRO A 66 181.051 -2.988 11.538 1.00 0.00 O ATOM 1011 CB PRO A 66 179.414 -0.731 13.207 1.00 0.00 C ATOM 1012 CG PRO A 66 179.539 -1.596 14.413 1.00 0.00 C ATOM 1013 CD PRO A 66 178.603 -2.751 14.196 1.00 0.00 C ATOM 0 HA PRO A 66 178.397 -1.283 11.334 1.00 0.00 H new ATOM 0 HB2 PRO A 66 180.336 -0.180 13.019 1.00 0.00 H new ATOM 0 HB3 PRO A 66 178.621 0.007 13.331 1.00 0.00 H new ATOM 0 HG2 PRO A 66 180.564 -1.944 14.539 1.00 0.00 H new ATOM 0 HG3 PRO A 66 179.276 -1.046 15.316 1.00 0.00 H new ATOM 0 HD2 PRO A 66 178.970 -3.661 14.671 1.00 0.00 H new ATOM 0 HD3 PRO A 66 177.615 -2.552 14.610 1.00 0.00 H new ATOM 1021 N GLU A 67 180.639 -1.181 10.255 1.00 0.00 N ATOM 1022 CA GLU A 67 181.804 -1.357 9.386 1.00 0.00 C ATOM 1023 C GLU A 67 181.838 -2.751 8.749 1.00 0.00 C ATOM 1024 O GLU A 67 182.833 -3.134 8.132 1.00 0.00 O ATOM 1025 CB GLU A 67 183.104 -1.084 10.156 1.00 0.00 C ATOM 1026 CG GLU A 67 183.500 -2.183 11.130 1.00 0.00 C ATOM 1027 CD GLU A 67 184.992 -2.211 11.401 1.00 0.00 C ATOM 1028 OE1 GLU A 67 185.508 -1.233 11.983 1.00 0.00 O ATOM 1029 OE2 GLU A 67 185.644 -3.210 11.031 1.00 0.00 O ATOM 0 H GLU A 67 180.066 -0.370 10.020 1.00 0.00 H new ATOM 0 HA GLU A 67 181.717 -0.630 8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 67 183.913 -0.941 9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 67 182.997 -0.149 10.706 1.00 0.00 H new ATOM 0 HG2 GLU A 67 182.966 -2.041 12.070 1.00 0.00 H new ATOM 0 HG3 GLU A 67 183.189 -3.148 10.730 1.00 0.00 H new ATOM 1036 N GLU A 68 180.748 -3.502 8.895 1.00 0.00 N ATOM 1037 CA GLU A 68 180.652 -4.842 8.331 1.00 0.00 C ATOM 1038 C GLU A 68 179.330 -5.032 7.585 1.00 0.00 C ATOM 1039 O GLU A 68 179.100 -6.075 6.972 1.00 0.00 O ATOM 1040 CB GLU A 68 180.762 -5.879 9.446 1.00 0.00 C ATOM 1041 CG GLU A 68 182.040 -5.764 10.256 1.00 0.00 C ATOM 1042 CD GLU A 68 182.264 -6.955 11.166 1.00 0.00 C ATOM 1043 OE1 GLU A 68 182.540 -8.057 10.646 1.00 0.00 O ATOM 1044 OE2 GLU A 68 182.164 -6.787 12.400 1.00 0.00 O ATOM 0 H GLU A 68 179.916 -3.201 9.402 1.00 0.00 H new ATOM 0 HA GLU A 68 181.470 -4.973 7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 68 179.907 -5.774 10.114 1.00 0.00 H new ATOM 0 HB3 GLU A 68 180.706 -6.877 9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 68 182.888 -5.665 9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 68 182.005 -4.855 10.856 1.00 0.00 H new ATOM 1051 N TYR A 69 178.456 -4.029 7.657 1.00 0.00 N ATOM 1052 CA TYR A 69 177.153 -4.090 7.005 1.00 0.00 C ATOM 1053 C TYR A 69 176.947 -2.881 6.103 1.00 0.00 C ATOM 1054 O TYR A 69 177.363 -1.770 6.433 1.00 0.00 O ATOM 1055 CB TYR A 69 176.039 -4.135 8.059 1.00 0.00 C ATOM 1056 CG TYR A 69 175.715 -5.523 8.575 1.00 0.00 C ATOM 1057 CD1 TYR A 69 176.715 -6.453 8.844 1.00 0.00 C ATOM 1058 CD2 TYR A 69 174.397 -5.905 8.786 1.00 0.00 C ATOM 1059 CE1 TYR A 69 176.410 -7.715 9.304 1.00 0.00 C ATOM 1060 CE2 TYR A 69 174.084 -7.166 9.252 1.00 0.00 C ATOM 1061 CZ TYR A 69 175.094 -8.069 9.509 1.00 0.00 C ATOM 1062 OH TYR A 69 174.787 -9.329 9.969 1.00 0.00 O ATOM 0 H TYR A 69 178.630 -3.161 8.164 1.00 0.00 H new ATOM 0 HA TYR A 69 177.117 -4.994 6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 69 176.328 -3.507 8.901 1.00 0.00 H new ATOM 0 HB3 TYR A 69 175.135 -3.700 7.632 1.00 0.00 H new ATOM 0 HD1 TYR A 69 177.748 -6.180 8.689 1.00 0.00 H new ATOM 0 HD2 TYR A 69 173.602 -5.203 8.582 1.00 0.00 H new ATOM 0 HE1 TYR A 69 177.199 -8.425 9.503 1.00 0.00 H new ATOM 0 HE2 TYR A 69 173.053 -7.444 9.415 1.00 0.00 H new ATOM 0 HH TYR A 69 173.815 -9.416 10.060 1.00 0.00 H new ATOM 1072 N ALA A 70 176.289 -3.099 4.971 1.00 0.00 N ATOM 1073 CA ALA A 70 176.013 -2.022 4.034 1.00 0.00 C ATOM 1074 C ALA A 70 174.616 -1.467 4.268 1.00 0.00 C ATOM 1075 O ALA A 70 173.643 -2.223 4.329 1.00 0.00 O ATOM 1076 CB ALA A 70 176.161 -2.510 2.601 1.00 0.00 C ATOM 0 H ALA A 70 175.938 -4.012 4.682 1.00 0.00 H new ATOM 0 HA ALA A 70 176.736 -1.223 4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 70 175.951 -1.690 1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 70 177.179 -2.865 2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 70 175.460 -3.324 2.420 1.00 0.00 H new ATOM 1082 N GLU A 71 174.527 -0.148 4.409 1.00 0.00 N ATOM 1083 CA GLU A 71 173.250 0.509 4.646 1.00 0.00 C ATOM 1084 C GLU A 71 172.846 1.353 3.444 1.00 0.00 C ATOM 1085 O GLU A 71 173.531 2.312 3.087 1.00 0.00 O ATOM 1086 CB GLU A 71 173.333 1.388 5.904 1.00 0.00 C ATOM 1087 CG GLU A 71 172.480 0.912 7.076 1.00 0.00 C ATOM 1088 CD GLU A 71 171.079 0.503 6.660 1.00 0.00 C ATOM 1089 OE1 GLU A 71 170.678 0.827 5.523 1.00 0.00 O ATOM 1090 OE2 GLU A 71 170.380 -0.137 7.475 1.00 0.00 O ATOM 0 H GLU A 71 175.325 0.485 4.363 1.00 0.00 H new ATOM 0 HA GLU A 71 172.492 -0.259 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 71 174.373 1.438 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 71 173.031 2.402 5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 71 172.972 0.067 7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 71 172.415 1.708 7.818 1.00 0.00 H new ATOM 1097 N VAL A 72 171.727 0.994 2.827 1.00 0.00 N ATOM 1098 CA VAL A 72 171.226 1.722 1.670 1.00 0.00 C ATOM 1099 C VAL A 72 169.846 2.294 1.959 1.00 0.00 C ATOM 1100 O VAL A 72 168.949 1.586 2.412 1.00 0.00 O ATOM 1101 CB VAL A 72 171.180 0.823 0.410 1.00 0.00 C ATOM 1102 CG1 VAL A 72 169.975 1.141 -0.469 1.00 0.00 C ATOM 1103 CG2 VAL A 72 172.466 0.976 -0.381 1.00 0.00 C ATOM 0 H VAL A 72 171.149 0.202 3.110 1.00 0.00 H new ATOM 0 HA VAL A 72 171.916 2.542 1.471 1.00 0.00 H new ATOM 0 HB VAL A 72 171.079 -0.211 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 72 169.979 0.489 -1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 72 169.058 0.981 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 72 170.025 2.181 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 72 172.427 0.341 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 72 172.584 2.016 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 72 173.312 0.681 0.240 1.00 0.00 H new ATOM 1113 N TRP A 73 169.685 3.581 1.694 1.00 0.00 N ATOM 1114 CA TRP A 73 168.414 4.250 1.927 1.00 0.00 C ATOM 1115 C TRP A 73 167.696 4.514 0.615 1.00 0.00 C ATOM 1116 O TRP A 73 168.328 4.820 -0.396 1.00 0.00 O ATOM 1117 CB TRP A 73 168.638 5.560 2.684 1.00 0.00 C ATOM 1118 CG TRP A 73 168.632 5.372 4.167 1.00 0.00 C ATOM 1119 CD1 TRP A 73 168.711 4.185 4.832 1.00 0.00 C ATOM 1120 CD2 TRP A 73 168.537 6.390 5.169 1.00 0.00 C ATOM 1121 NE1 TRP A 73 168.668 4.398 6.184 1.00 0.00 N ATOM 1122 CE2 TRP A 73 168.559 5.742 6.419 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.435 7.784 5.135 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 168.481 6.437 7.620 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 168.358 8.475 6.331 1.00 0.00 C ATOM 1126 CH2 TRP A 73 168.380 7.800 7.559 1.00 0.00 C ATOM 0 H TRP A 73 170.418 4.183 1.318 1.00 0.00 H new ATOM 0 HA TRP A 73 167.787 3.596 2.533 1.00 0.00 H new ATOM 0 HB2 TRP A 73 169.591 5.993 2.380 1.00 0.00 H new ATOM 0 HB3 TRP A 73 167.861 6.273 2.408 1.00 0.00 H new ATOM 0 HD1 TRP A 73 168.795 3.217 4.361 1.00 0.00 H new ATOM 0 HE1 TRP A 73 168.710 3.673 6.900 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.417 8.311 4.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 168.499 5.919 8.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 168.280 9.552 6.318 1.00 0.00 H new ATOM 0 HH2 TRP A 73 168.316 8.367 8.476 1.00 0.00 H new ATOM 1137 N VAL A 74 166.372 4.404 0.632 1.00 0.00 N ATOM 1138 CA VAL A 74 165.579 4.642 -0.562 1.00 0.00 C ATOM 1139 C VAL A 74 164.337 5.459 -0.236 1.00 0.00 C ATOM 1140 O VAL A 74 163.357 4.943 0.302 1.00 0.00 O ATOM 1141 CB VAL A 74 165.149 3.336 -1.246 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.416 3.654 -2.537 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.353 2.443 -1.508 1.00 0.00 C ATOM 0 H VAL A 74 165.829 4.152 1.458 1.00 0.00 H new ATOM 0 HA VAL A 74 166.219 5.197 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 74 164.474 2.793 -0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 74 164.112 2.726 -3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.533 4.254 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 74 165.076 4.211 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 74 166.025 1.523 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 74 167.058 2.964 -2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 74 166.839 2.201 -0.563 1.00 0.00 H new ATOM 1153 N GLY A 75 164.409 6.741 -0.552 1.00 0.00 N ATOM 1154 CA GLY A 75 163.301 7.640 -0.281 1.00 0.00 C ATOM 1155 C GLY A 75 163.241 8.820 -1.226 1.00 0.00 C ATOM 1156 O GLY A 75 163.129 8.656 -2.440 1.00 0.00 O ATOM 0 H GLY A 75 165.217 7.180 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 75 162.366 7.083 -0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 75 163.382 8.007 0.742 1.00 0.00 H new ATOM 1160 N LEU A 76 163.332 10.016 -0.652 1.00 0.00 N ATOM 1161 CA LEU A 76 163.305 11.253 -1.430 1.00 0.00 C ATOM 1162 C LEU A 76 164.271 12.272 -0.834 1.00 0.00 C ATOM 1163 O LEU A 76 164.471 12.312 0.380 1.00 0.00 O ATOM 1164 CB LEU A 76 161.886 11.854 -1.494 1.00 0.00 C ATOM 1165 CG LEU A 76 160.925 11.208 -2.501 1.00 0.00 C ATOM 1166 CD1 LEU A 76 161.627 10.897 -3.813 1.00 0.00 C ATOM 1167 CD2 LEU A 76 160.300 9.949 -1.920 1.00 0.00 C ATOM 0 H LEU A 76 163.426 10.156 0.354 1.00 0.00 H new ATOM 0 HA LEU A 76 163.614 11.009 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.440 11.787 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.973 12.914 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 76 160.131 11.925 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 76 160.919 10.440 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 76 162.014 11.819 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 76 162.452 10.208 -3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 76 159.623 9.508 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 76 161.085 9.233 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 76 159.744 10.202 -1.017 1.00 0.00 H new ATOM 1179 N VAL A 77 164.872 13.093 -1.690 1.00 0.00 N ATOM 1180 CA VAL A 77 165.819 14.106 -1.236 1.00 0.00 C ATOM 1181 C VAL A 77 165.305 15.512 -1.518 1.00 0.00 C ATOM 1182 O VAL A 77 164.230 15.690 -2.091 1.00 0.00 O ATOM 1183 CB VAL A 77 167.195 13.934 -1.908 1.00 0.00 C ATOM 1184 CG1 VAL A 77 167.960 12.784 -1.274 1.00 0.00 C ATOM 1185 CG2 VAL A 77 167.039 13.719 -3.406 1.00 0.00 C ATOM 0 H VAL A 77 164.721 13.077 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 77 165.927 13.971 -0.160 1.00 0.00 H new ATOM 0 HB VAL A 77 167.768 14.849 -1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 77 168.929 12.679 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 77 168.108 12.987 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 77 167.392 11.861 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 77 168.022 13.600 -3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 77 166.445 12.823 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 77 166.537 14.580 -3.847 1.00 0.00 H new ATOM 1195 N ASN A 78 166.082 16.510 -1.110 1.00 0.00 N ATOM 1196 CA ASN A 78 165.710 17.905 -1.316 1.00 0.00 C ATOM 1197 C ASN A 78 166.570 18.540 -2.405 1.00 0.00 C ATOM 1198 O ASN A 78 167.250 17.843 -3.158 1.00 0.00 O ATOM 1199 CB ASN A 78 165.852 18.690 -0.009 1.00 0.00 C ATOM 1200 CG ASN A 78 165.218 17.975 1.168 1.00 0.00 C ATOM 1201 OD1 ASN A 78 164.013 18.083 1.398 1.00 0.00 O ATOM 1202 ND2 ASN A 78 166.028 17.241 1.921 1.00 0.00 N ATOM 0 H ASN A 78 166.974 16.378 -0.634 1.00 0.00 H new ATOM 0 HA ASN A 78 164.669 17.937 -1.637 1.00 0.00 H new ATOM 0 HB2 ASN A 78 166.909 18.857 0.198 1.00 0.00 H new ATOM 0 HB3 ASN A 78 165.391 19.671 -0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 78 165.658 16.738 2.727 1.00 0.00 H new ATOM 0 HD22 ASN A 78 167.020 17.180 1.693 1.00 0.00 H new ATOM 1209 N GLU A 79 166.535 19.866 -2.483 1.00 0.00 N ATOM 1210 CA GLU A 79 167.311 20.595 -3.479 1.00 0.00 C ATOM 1211 C GLU A 79 168.808 20.374 -3.281 1.00 0.00 C ATOM 1212 O GLU A 79 169.597 20.546 -4.210 1.00 0.00 O ATOM 1213 CB GLU A 79 166.991 22.089 -3.410 1.00 0.00 C ATOM 1214 CG GLU A 79 167.079 22.666 -2.006 1.00 0.00 C ATOM 1215 CD GLU A 79 165.727 23.076 -1.456 1.00 0.00 C ATOM 1216 OE1 GLU A 79 165.150 24.058 -1.970 1.00 0.00 O ATOM 1217 OE2 GLU A 79 165.245 22.416 -0.512 1.00 0.00 O ATOM 0 H GLU A 79 165.977 20.458 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 79 167.036 20.214 -4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 79 167.679 22.630 -4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 79 165.987 22.255 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 79 167.528 21.928 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 79 167.741 23.532 -2.014 1.00 0.00 H new ATOM 1224 N GLN A 80 169.195 19.996 -2.065 1.00 0.00 N ATOM 1225 CA GLN A 80 170.598 19.759 -1.753 1.00 0.00 C ATOM 1226 C GLN A 80 171.041 18.374 -2.220 1.00 0.00 C ATOM 1227 O GLN A 80 171.647 18.236 -3.283 1.00 0.00 O ATOM 1228 CB GLN A 80 170.857 19.927 -0.250 1.00 0.00 C ATOM 1229 CG GLN A 80 169.666 19.594 0.639 1.00 0.00 C ATOM 1230 CD GLN A 80 170.068 19.345 2.080 1.00 0.00 C ATOM 1231 OE1 GLN A 80 171.021 18.616 2.354 1.00 0.00 O ATOM 1232 NE2 GLN A 80 169.342 19.954 3.011 1.00 0.00 N ATOM 0 H GLN A 80 168.557 19.848 -1.283 1.00 0.00 H new ATOM 0 HA GLN A 80 171.188 20.501 -2.291 1.00 0.00 H new ATOM 0 HB2 GLN A 80 171.695 19.291 0.034 1.00 0.00 H new ATOM 0 HB3 GLN A 80 171.159 20.957 -0.059 1.00 0.00 H new ATOM 0 HG2 GLN A 80 168.949 20.414 0.602 1.00 0.00 H new ATOM 0 HG3 GLN A 80 169.161 18.711 0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 80 168.560 20.550 2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 80 169.566 19.826 3.998 1.00 0.00 H new ATOM 1241 N ASP A 81 170.738 17.350 -1.425 1.00 0.00 N ATOM 1242 CA ASP A 81 171.111 15.979 -1.767 1.00 0.00 C ATOM 1243 C ASP A 81 170.791 15.020 -0.624 1.00 0.00 C ATOM 1244 O ASP A 81 170.431 13.866 -0.852 1.00 0.00 O ATOM 1245 CB ASP A 81 172.603 15.896 -2.107 1.00 0.00 C ATOM 1246 CG ASP A 81 173.466 16.644 -1.108 1.00 0.00 C ATOM 1247 OD1 ASP A 81 173.618 16.152 0.030 1.00 0.00 O ATOM 1248 OD2 ASP A 81 173.989 17.720 -1.465 1.00 0.00 O ATOM 0 H ASP A 81 170.236 17.443 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 81 170.528 15.686 -2.640 1.00 0.00 H new ATOM 0 HB2 ASP A 81 172.909 14.850 -2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 81 172.769 16.304 -3.104 1.00 0.00 H new ATOM 1253 N GLU A 82 170.927 15.504 0.607 1.00 0.00 N ATOM 1254 CA GLU A 82 170.654 14.687 1.786 1.00 0.00 C ATOM 1255 C GLU A 82 169.238 14.121 1.744 1.00 0.00 C ATOM 1256 O GLU A 82 168.278 14.843 1.475 1.00 0.00 O ATOM 1257 CB GLU A 82 170.850 15.510 3.060 1.00 0.00 C ATOM 1258 CG GLU A 82 172.298 15.595 3.513 1.00 0.00 C ATOM 1259 CD GLU A 82 172.449 16.276 4.859 1.00 0.00 C ATOM 1260 OE1 GLU A 82 171.649 15.975 5.769 1.00 0.00 O ATOM 1261 OE2 GLU A 82 173.368 17.110 5.002 1.00 0.00 O ATOM 0 H GLU A 82 171.224 16.457 0.815 1.00 0.00 H new ATOM 0 HA GLU A 82 171.357 13.854 1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 82 170.471 16.518 2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 82 170.253 15.073 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 82 172.717 14.590 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 82 172.877 16.140 2.767 1.00 0.00 H new ATOM 1268 N MET A 83 169.117 12.824 2.008 1.00 0.00 N ATOM 1269 CA MET A 83 167.819 12.159 1.996 1.00 0.00 C ATOM 1270 C MET A 83 167.154 12.227 3.368 1.00 0.00 C ATOM 1271 O MET A 83 167.177 11.259 4.129 1.00 0.00 O ATOM 1272 CB MET A 83 167.974 10.699 1.564 1.00 0.00 C ATOM 1273 CG MET A 83 166.687 10.077 1.045 1.00 0.00 C ATOM 1274 SD MET A 83 166.830 8.299 0.781 1.00 0.00 S ATOM 1275 CE MET A 83 167.761 8.252 -0.749 1.00 0.00 C ATOM 0 H MET A 83 169.902 12.213 2.233 1.00 0.00 H new ATOM 0 HA MET A 83 167.182 12.679 1.280 1.00 0.00 H new ATOM 0 HB2 MET A 83 168.736 10.638 0.787 1.00 0.00 H new ATOM 0 HB3 MET A 83 168.334 10.115 2.411 1.00 0.00 H new ATOM 0 HG2 MET A 83 165.883 10.271 1.754 1.00 0.00 H new ATOM 0 HG3 MET A 83 166.408 10.558 0.107 1.00 0.00 H new ATOM 0 HE1 MET A 83 167.283 7.562 -1.444 1.00 0.00 H new ATOM 0 HE2 MET A 83 167.789 9.249 -1.189 1.00 0.00 H new ATOM 0 HE3 MET A 83 168.778 7.917 -0.546 1.00 0.00 H new ATOM 1285 N ASP A 84 166.557 13.374 3.675 1.00 0.00 N ATOM 1286 CA ASP A 84 165.879 13.565 4.957 1.00 0.00 C ATOM 1287 C ASP A 84 164.530 12.844 4.977 1.00 0.00 C ATOM 1288 O ASP A 84 163.865 12.784 6.012 1.00 0.00 O ATOM 1289 CB ASP A 84 165.673 15.057 5.249 1.00 0.00 C ATOM 1290 CG ASP A 84 166.804 15.920 4.723 1.00 0.00 C ATOM 1291 OD1 ASP A 84 167.927 15.397 4.566 1.00 0.00 O ATOM 1292 OD2 ASP A 84 166.565 17.119 4.466 1.00 0.00 O ATOM 0 H ASP A 84 166.528 14.185 3.057 1.00 0.00 H new ATOM 0 HA ASP A 84 166.515 13.138 5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 84 164.734 15.384 4.802 1.00 0.00 H new ATOM 0 HB3 ASP A 84 165.581 15.203 6.325 1.00 0.00 H new ATOM 1297 N ASP A 85 164.133 12.296 3.831 1.00 0.00 N ATOM 1298 CA ASP A 85 162.871 11.579 3.718 1.00 0.00 C ATOM 1299 C ASP A 85 163.115 10.150 3.248 1.00 0.00 C ATOM 1300 O ASP A 85 163.015 9.848 2.059 1.00 0.00 O ATOM 1301 CB ASP A 85 161.934 12.299 2.746 1.00 0.00 C ATOM 1302 CG ASP A 85 161.110 13.373 3.428 1.00 0.00 C ATOM 1303 OD1 ASP A 85 161.688 14.160 4.206 1.00 0.00 O ATOM 1304 OD2 ASP A 85 159.887 13.428 3.183 1.00 0.00 O ATOM 0 H ASP A 85 164.671 12.337 2.966 1.00 0.00 H new ATOM 0 HA ASP A 85 162.401 11.550 4.701 1.00 0.00 H new ATOM 0 HB2 ASP A 85 162.521 12.749 1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 85 161.267 11.572 2.283 1.00 0.00 H new ATOM 1309 N VAL A 86 163.446 9.281 4.192 1.00 0.00 N ATOM 1310 CA VAL A 86 163.720 7.881 3.889 1.00 0.00 C ATOM 1311 C VAL A 86 162.446 7.044 3.963 1.00 0.00 C ATOM 1312 O VAL A 86 161.734 7.063 4.967 1.00 0.00 O ATOM 1313 CB VAL A 86 164.782 7.303 4.855 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.477 7.707 6.289 1.00 0.00 C ATOM 1315 CG2 VAL A 86 164.885 5.786 4.731 1.00 0.00 C ATOM 0 H VAL A 86 163.532 9.521 5.180 1.00 0.00 H new ATOM 0 HA VAL A 86 164.109 7.837 2.872 1.00 0.00 H new ATOM 0 HB VAL A 86 165.748 7.722 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.235 7.291 6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 86 164.481 8.794 6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.496 7.326 6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.640 5.415 5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 86 163.921 5.335 4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 86 165.167 5.523 3.712 1.00 0.00 H new ATOM 1325 N PHE A 87 162.171 6.305 2.892 1.00 0.00 N ATOM 1326 CA PHE A 87 160.990 5.454 2.834 1.00 0.00 C ATOM 1327 C PHE A 87 161.311 4.071 3.380 1.00 0.00 C ATOM 1328 O PHE A 87 160.458 3.411 3.973 1.00 0.00 O ATOM 1329 CB PHE A 87 160.485 5.327 1.394 1.00 0.00 C ATOM 1330 CG PHE A 87 159.462 6.355 1.007 1.00 0.00 C ATOM 1331 CD1 PHE A 87 158.492 6.769 1.906 1.00 0.00 C ATOM 1332 CD2 PHE A 87 159.470 6.904 -0.264 1.00 0.00 C ATOM 1333 CE1 PHE A 87 157.553 7.713 1.544 1.00 0.00 C ATOM 1334 CE2 PHE A 87 158.532 7.848 -0.632 1.00 0.00 C ATOM 1335 CZ PHE A 87 157.573 8.254 0.272 1.00 0.00 C ATOM 0 H PHE A 87 162.751 6.279 2.053 1.00 0.00 H new ATOM 0 HA PHE A 87 160.212 5.913 3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.334 5.403 0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 87 160.056 4.334 1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 87 158.471 6.348 2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 87 160.219 6.590 -0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 87 156.803 8.029 2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 87 158.549 8.268 -1.627 1.00 0.00 H new ATOM 0 HZ PHE A 87 156.839 8.993 -0.013 1.00 0.00 H new ATOM 1345 N ALA A 88 162.550 3.640 3.176 1.00 0.00 N ATOM 1346 CA ALA A 88 162.988 2.336 3.647 1.00 0.00 C ATOM 1347 C ALA A 88 164.508 2.263 3.707 1.00 0.00 C ATOM 1348 O ALA A 88 165.196 2.889 2.901 1.00 0.00 O ATOM 1349 CB ALA A 88 162.445 1.242 2.738 1.00 0.00 C ATOM 0 H ALA A 88 163.267 4.176 2.688 1.00 0.00 H new ATOM 0 HA ALA A 88 162.599 2.187 4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 88 162.779 0.269 3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.356 1.275 2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 88 162.811 1.397 1.723 1.00 0.00 H new ATOM 1355 N LYS A 89 165.032 1.480 4.645 1.00 0.00 N ATOM 1356 CA LYS A 89 166.473 1.311 4.781 1.00 0.00 C ATOM 1357 C LYS A 89 166.833 -0.126 4.436 1.00 0.00 C ATOM 1358 O LYS A 89 166.087 -1.047 4.759 1.00 0.00 O ATOM 1359 CB LYS A 89 166.942 1.649 6.203 1.00 0.00 C ATOM 1360 CG LYS A 89 166.106 2.711 6.905 1.00 0.00 C ATOM 1361 CD LYS A 89 166.070 2.483 8.408 1.00 0.00 C ATOM 1362 CE LYS A 89 167.287 3.071 9.097 1.00 0.00 C ATOM 1363 NZ LYS A 89 167.028 4.442 9.616 1.00 0.00 N ATOM 0 H LYS A 89 164.480 0.953 5.322 1.00 0.00 H new ATOM 0 HA LYS A 89 166.976 1.996 4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 89 166.929 0.739 6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 89 167.977 1.988 6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 89 166.518 3.698 6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 89 165.091 2.698 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 89 165.166 2.931 8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 89 166.018 1.414 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 89 167.586 2.422 9.921 1.00 0.00 H new ATOM 0 HE3 LYS A 89 168.121 3.101 8.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 167.786 4.713 10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 167.002 5.114 8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 166.115 4.458 10.113 1.00 0.00 H new ATOM 1377 N PHE A 90 167.957 -0.320 3.762 1.00 0.00 N ATOM 1378 CA PHE A 90 168.372 -1.657 3.361 1.00 0.00 C ATOM 1379 C PHE A 90 169.696 -2.048 4.001 1.00 0.00 C ATOM 1380 O PHE A 90 170.601 -1.226 4.142 1.00 0.00 O ATOM 1381 CB PHE A 90 168.466 -1.737 1.837 1.00 0.00 C ATOM 1382 CG PHE A 90 167.158 -1.449 1.155 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.547 -0.212 1.297 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.531 -2.417 0.387 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.338 0.054 0.686 1.00 0.00 C ATOM 1386 CE2 PHE A 90 165.321 -2.155 -0.229 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.724 -0.918 -0.078 1.00 0.00 C ATOM 0 H PHE A 90 168.595 0.426 3.483 1.00 0.00 H new ATOM 0 HA PHE A 90 167.620 -2.365 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.217 -1.029 1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 90 168.808 -2.732 1.551 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.023 0.553 1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 90 166.992 -3.386 0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 90 164.873 1.021 0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 90 164.843 -2.916 -0.828 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.778 -0.712 -0.557 1.00 0.00 H new ATOM 1397 N LEU A 91 169.794 -3.315 4.387 1.00 0.00 N ATOM 1398 CA LEU A 91 170.997 -3.838 5.016 1.00 0.00 C ATOM 1399 C LEU A 91 171.510 -5.056 4.261 1.00 0.00 C ATOM 1400 O LEU A 91 170.746 -5.739 3.578 1.00 0.00 O ATOM 1401 CB LEU A 91 170.707 -4.220 6.464 1.00 0.00 C ATOM 1402 CG LEU A 91 170.679 -3.057 7.452 1.00 0.00 C ATOM 1403 CD1 LEU A 91 170.371 -3.568 8.848 1.00 0.00 C ATOM 1404 CD2 LEU A 91 172.006 -2.315 7.438 1.00 0.00 C ATOM 0 H LEU A 91 169.048 -4.002 4.273 1.00 0.00 H new ATOM 0 HA LEU A 91 171.761 -3.061 4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 91 169.745 -4.731 6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 91 171.461 -4.936 6.792 1.00 0.00 H new ATOM 0 HG LEU A 91 169.895 -2.362 7.152 1.00 0.00 H new ATOM 0 HD11 LEU A 91 170.353 -2.731 9.546 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.399 -4.062 8.849 1.00 0.00 H new ATOM 0 HD13 LEU A 91 171.139 -4.279 9.153 1.00 0.00 H new ATOM 0 HD21 LEU A 91 171.968 -1.489 8.148 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.808 -2.998 7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 91 172.194 -1.925 6.438 1.00 0.00 H new ATOM 1416 N ILE A 92 172.802 -5.331 4.398 1.00 0.00 N ATOM 1417 CA ILE A 92 173.401 -6.482 3.728 1.00 0.00 C ATOM 1418 C ILE A 92 174.760 -6.842 4.317 1.00 0.00 C ATOM 1419 O ILE A 92 175.707 -6.058 4.250 1.00 0.00 O ATOM 1420 CB ILE A 92 173.566 -6.247 2.206 1.00 0.00 C ATOM 1421 CG1 ILE A 92 173.723 -4.751 1.902 1.00 0.00 C ATOM 1422 CG2 ILE A 92 172.382 -6.838 1.450 1.00 0.00 C ATOM 1423 CD1 ILE A 92 173.466 -4.387 0.454 1.00 0.00 C ATOM 0 H ILE A 92 173.450 -4.780 4.961 1.00 0.00 H new ATOM 0 HA ILE A 92 172.710 -7.309 3.890 1.00 0.00 H new ATOM 0 HB ILE A 92 174.472 -6.752 1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 92 173.037 -4.188 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 92 174.733 -4.440 2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 92 172.510 -6.666 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 92 172.327 -7.910 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 92 171.461 -6.361 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 92 173.597 -3.313 0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 92 174.169 -4.921 -0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 92 172.447 -4.665 0.184 1.00 0.00 H new ATOM 1435 N SER A 93 174.852 -8.045 4.875 1.00 0.00 N ATOM 1436 CA SER A 93 176.099 -8.525 5.455 1.00 0.00 C ATOM 1437 C SER A 93 177.042 -8.978 4.346 1.00 0.00 C ATOM 1438 O SER A 93 176.848 -10.036 3.748 1.00 0.00 O ATOM 1439 CB SER A 93 175.831 -9.680 6.422 1.00 0.00 C ATOM 1440 OG SER A 93 176.797 -9.711 7.459 1.00 0.00 O ATOM 0 H SER A 93 174.077 -8.705 4.937 1.00 0.00 H new ATOM 0 HA SER A 93 176.564 -7.711 6.011 1.00 0.00 H new ATOM 0 HB2 SER A 93 174.835 -9.575 6.852 1.00 0.00 H new ATOM 0 HB3 SER A 93 175.846 -10.625 5.878 1.00 0.00 H new ATOM 0 HG SER A 93 176.430 -9.284 8.261 1.00 0.00 H new ATOM 1446 N HIS A 94 178.050 -8.162 4.063 1.00 0.00 N ATOM 1447 CA HIS A 94 179.012 -8.475 3.004 1.00 0.00 C ATOM 1448 C HIS A 94 179.589 -9.876 3.178 1.00 0.00 C ATOM 1449 O HIS A 94 180.369 -10.135 4.095 1.00 0.00 O ATOM 1450 CB HIS A 94 180.148 -7.458 2.971 1.00 0.00 C ATOM 1451 CG HIS A 94 179.706 -6.040 3.190 1.00 0.00 C ATOM 1452 ND1 HIS A 94 179.142 -5.266 2.198 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.756 -5.252 4.291 1.00 0.00 C ATOM 1454 CE1 HIS A 94 178.869 -4.065 2.680 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.230 -4.033 3.946 1.00 0.00 N ATOM 0 H HIS A 94 178.225 -7.282 4.547 1.00 0.00 H new ATOM 0 HA HIS A 94 178.471 -8.431 2.059 1.00 0.00 H new ATOM 0 HB2 HIS A 94 180.880 -7.721 3.735 1.00 0.00 H new ATOM 0 HB3 HIS A 94 180.654 -7.525 2.008 1.00 0.00 H new ATOM 0 HD2 HIS A 94 180.139 -5.532 5.261 1.00 0.00 H new ATOM 0 HE1 HIS A 94 178.425 -3.249 2.129 1.00 0.00 H new ATOM 0 HE2 HIS A 94 179.134 -3.231 4.569 1.00 0.00 H new ATOM 1464 N ARG A 95 179.189 -10.770 2.289 1.00 0.00 N ATOM 1465 CA ARG A 95 179.640 -12.153 2.319 1.00 0.00 C ATOM 1466 C ARG A 95 179.356 -12.839 0.985 1.00 0.00 C ATOM 1467 O ARG A 95 179.052 -12.178 -0.008 1.00 0.00 O ATOM 1468 CB ARG A 95 178.932 -12.887 3.451 1.00 0.00 C ATOM 1469 CG ARG A 95 179.843 -13.228 4.621 1.00 0.00 C ATOM 1470 CD ARG A 95 179.343 -12.613 5.919 1.00 0.00 C ATOM 1471 NE ARG A 95 179.777 -13.374 7.088 1.00 0.00 N ATOM 1472 CZ ARG A 95 179.793 -12.886 8.327 1.00 0.00 C ATOM 1473 NH1 ARG A 95 179.397 -11.641 8.562 1.00 0.00 N ATOM 1474 NH2 ARG A 95 180.204 -13.645 9.333 1.00 0.00 N ATOM 0 H ARG A 95 178.544 -10.559 1.528 1.00 0.00 H new ATOM 0 HA ARG A 95 180.716 -12.175 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 95 178.107 -12.272 3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 95 178.497 -13.807 3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 95 179.905 -14.311 4.731 1.00 0.00 H new ATOM 0 HG3 ARG A 95 180.852 -12.871 4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 95 179.706 -11.588 5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 95 178.254 -12.565 5.902 1.00 0.00 H new ATOM 0 HE ARG A 95 180.086 -14.336 6.947 1.00 0.00 H new ATOM 0 HH11 ARG A 95 179.078 -11.053 7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 95 179.411 -11.272 9.513 1.00 0.00 H new ATOM 0 HH21 ARG A 95 180.508 -14.603 9.158 1.00 0.00 H new ATOM 0 HH22 ARG A 95 180.216 -13.271 10.282 1.00 0.00 H new ATOM 1488 N GLU A 96 179.455 -14.165 0.965 1.00 0.00 N ATOM 1489 CA GLU A 96 179.205 -14.923 -0.254 1.00 0.00 C ATOM 1490 C GLU A 96 178.391 -16.186 0.032 1.00 0.00 C ATOM 1491 O GLU A 96 177.345 -16.407 -0.578 1.00 0.00 O ATOM 1492 CB GLU A 96 180.530 -15.270 -0.944 1.00 0.00 C ATOM 1493 CG GLU A 96 181.352 -16.326 -0.222 1.00 0.00 C ATOM 1494 CD GLU A 96 182.735 -16.497 -0.820 1.00 0.00 C ATOM 1495 OE1 GLU A 96 183.311 -15.489 -1.281 1.00 0.00 O ATOM 1496 OE2 GLU A 96 183.242 -17.639 -0.827 1.00 0.00 O ATOM 0 H GLU A 96 179.705 -14.733 1.775 1.00 0.00 H new ATOM 0 HA GLU A 96 178.615 -14.300 -0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 96 180.320 -15.618 -1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 96 181.127 -14.363 -1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 96 181.446 -16.052 0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 96 180.824 -17.279 -0.257 1.00 0.00 H new ATOM 1503 N GLU A 97 178.871 -17.013 0.957 1.00 0.00 N ATOM 1504 CA GLU A 97 178.174 -18.249 1.304 1.00 0.00 C ATOM 1505 C GLU A 97 177.095 -18.001 2.354 1.00 0.00 C ATOM 1506 O GLU A 97 176.383 -18.915 2.771 1.00 0.00 O ATOM 1507 CB GLU A 97 179.184 -19.312 1.770 1.00 0.00 C ATOM 1508 CG GLU A 97 178.754 -20.108 2.996 1.00 0.00 C ATOM 1509 CD GLU A 97 179.820 -21.079 3.464 1.00 0.00 C ATOM 1510 OE1 GLU A 97 181.016 -20.801 3.240 1.00 0.00 O ATOM 1511 OE2 GLU A 97 179.458 -22.118 4.055 1.00 0.00 O ATOM 0 H GLU A 97 179.734 -16.852 1.477 1.00 0.00 H new ATOM 0 HA GLU A 97 177.670 -18.625 0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 97 179.365 -20.006 0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 97 180.133 -18.821 1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 97 178.514 -19.419 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 97 177.842 -20.659 2.766 1.00 0.00 H new ATOM 1518 N ASP A 98 176.982 -16.755 2.760 1.00 0.00 N ATOM 1519 CA ASP A 98 175.997 -16.349 3.751 1.00 0.00 C ATOM 1520 C ASP A 98 175.787 -14.842 3.704 1.00 0.00 C ATOM 1521 O ASP A 98 176.607 -14.076 4.209 1.00 0.00 O ATOM 1522 CB ASP A 98 176.445 -16.773 5.151 1.00 0.00 C ATOM 1523 CG ASP A 98 177.850 -16.305 5.477 1.00 0.00 C ATOM 1524 OD1 ASP A 98 178.772 -16.604 4.690 1.00 0.00 O ATOM 1525 OD2 ASP A 98 178.027 -15.639 6.518 1.00 0.00 O ATOM 0 H ASP A 98 177.567 -15.993 2.416 1.00 0.00 H new ATOM 0 HA ASP A 98 175.052 -16.842 3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 98 175.751 -16.370 5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 98 176.400 -17.859 5.230 1.00 0.00 H new ATOM 1530 N ARG A 99 174.683 -14.421 3.099 1.00 0.00 N ATOM 1531 CA ARG A 99 174.369 -13.002 2.991 1.00 0.00 C ATOM 1532 C ARG A 99 172.973 -12.715 3.533 1.00 0.00 C ATOM 1533 O ARG A 99 171.982 -13.263 3.049 1.00 0.00 O ATOM 1534 CB ARG A 99 174.471 -12.543 1.535 1.00 0.00 C ATOM 1535 CG ARG A 99 173.519 -13.273 0.599 1.00 0.00 C ATOM 1536 CD ARG A 99 172.579 -12.308 -0.108 1.00 0.00 C ATOM 1537 NE ARG A 99 171.859 -12.952 -1.203 1.00 0.00 N ATOM 1538 CZ ARG A 99 170.777 -12.438 -1.783 1.00 0.00 C ATOM 1539 NH1 ARG A 99 170.285 -11.275 -1.374 1.00 0.00 N ATOM 1540 NH2 ARG A 99 170.184 -13.091 -2.774 1.00 0.00 N ATOM 0 H ARG A 99 173.992 -15.041 2.677 1.00 0.00 H new ATOM 0 HA ARG A 99 175.093 -12.447 3.588 1.00 0.00 H new ATOM 0 HB2 ARG A 99 174.268 -11.473 1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 99 175.493 -12.690 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 99 174.092 -13.831 -0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 99 172.937 -14.000 1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 99 171.864 -11.906 0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 99 173.150 -11.464 -0.496 1.00 0.00 H new ATOM 0 HE ARG A 99 172.206 -13.849 -1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 99 170.736 -10.770 -0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 99 169.455 -10.886 -1.822 1.00 0.00 H new ATOM 0 HH21 ARG A 99 170.557 -13.986 -3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 99 169.355 -12.698 -3.219 1.00 0.00 H new ATOM 1554 N GLU A 100 172.903 -11.854 4.541 1.00 0.00 N ATOM 1555 CA GLU A 100 171.628 -11.494 5.151 1.00 0.00 C ATOM 1556 C GLU A 100 171.236 -10.067 4.786 1.00 0.00 C ATOM 1557 O GLU A 100 171.876 -9.108 5.217 1.00 0.00 O ATOM 1558 CB GLU A 100 171.706 -11.640 6.672 1.00 0.00 C ATOM 1559 CG GLU A 100 171.818 -13.081 7.141 1.00 0.00 C ATOM 1560 CD GLU A 100 170.687 -13.951 6.629 1.00 0.00 C ATOM 1561 OE1 GLU A 100 169.546 -13.785 7.111 1.00 0.00 O ATOM 1562 OE2 GLU A 100 170.940 -14.797 5.747 1.00 0.00 O ATOM 0 H GLU A 100 173.713 -11.392 4.953 1.00 0.00 H new ATOM 0 HA GLU A 100 170.866 -12.172 4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 100 172.566 -11.080 7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 100 170.819 -11.190 7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 100 172.769 -13.495 6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 100 171.825 -13.105 8.231 1.00 0.00 H new ATOM 1569 N PHE A 101 170.176 -9.931 3.994 1.00 0.00 N ATOM 1570 CA PHE A 101 169.697 -8.619 3.579 1.00 0.00 C ATOM 1571 C PHE A 101 168.269 -8.394 4.069 1.00 0.00 C ATOM 1572 O PHE A 101 167.439 -9.301 4.023 1.00 0.00 O ATOM 1573 CB PHE A 101 169.769 -8.481 2.052 1.00 0.00 C ATOM 1574 CG PHE A 101 168.542 -8.972 1.330 1.00 0.00 C ATOM 1575 CD1 PHE A 101 167.427 -8.158 1.201 1.00 0.00 C ATOM 1576 CD2 PHE A 101 168.506 -10.245 0.784 1.00 0.00 C ATOM 1577 CE1 PHE A 101 166.299 -8.606 0.541 1.00 0.00 C ATOM 1578 CE2 PHE A 101 167.379 -10.698 0.122 1.00 0.00 C ATOM 1579 CZ PHE A 101 166.275 -9.877 0.001 1.00 0.00 C ATOM 0 H PHE A 101 169.634 -10.713 3.628 1.00 0.00 H new ATOM 0 HA PHE A 101 170.339 -7.859 4.025 1.00 0.00 H new ATOM 0 HB2 PHE A 101 169.930 -7.433 1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 101 170.636 -9.033 1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 101 167.440 -7.163 1.621 1.00 0.00 H new ATOM 0 HD2 PHE A 101 169.367 -10.890 0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 101 165.437 -7.963 0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 101 167.362 -11.692 -0.300 1.00 0.00 H new ATOM 0 HZ PHE A 101 165.394 -10.228 -0.515 1.00 0.00 H new ATOM 1589 N HIS A 102 167.988 -7.182 4.534 1.00 0.00 N ATOM 1590 CA HIS A 102 166.654 -6.852 5.025 1.00 0.00 C ATOM 1591 C HIS A 102 166.328 -5.384 4.779 1.00 0.00 C ATOM 1592 O HIS A 102 167.190 -4.604 4.374 1.00 0.00 O ATOM 1593 CB HIS A 102 166.506 -7.188 6.517 1.00 0.00 C ATOM 1594 CG HIS A 102 167.778 -7.117 7.309 1.00 0.00 C ATOM 1595 ND1 HIS A 102 167.879 -6.435 8.502 1.00 0.00 N ATOM 1596 CD2 HIS A 102 168.999 -7.665 7.089 1.00 0.00 C ATOM 1597 CE1 HIS A 102 169.103 -6.565 8.980 1.00 0.00 C ATOM 1598 NE2 HIS A 102 169.802 -7.306 8.142 1.00 0.00 N ATOM 0 H HIS A 102 168.660 -6.416 4.582 1.00 0.00 H new ATOM 0 HA HIS A 102 165.943 -7.462 4.468 1.00 0.00 H new ATOM 0 HB2 HIS A 102 165.781 -6.504 6.959 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.093 -8.193 6.609 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.286 -8.271 6.242 1.00 0.00 H new ATOM 0 HE1 HIS A 102 169.470 -6.137 9.901 1.00 0.00 H new ATOM 0 HE2 HIS A 102 170.781 -7.569 8.258 1.00 0.00 H new ATOM 1607 N VAL A 103 165.074 -5.016 5.021 1.00 0.00 N ATOM 1608 CA VAL A 103 164.640 -3.640 4.816 1.00 0.00 C ATOM 1609 C VAL A 103 163.481 -3.245 5.725 1.00 0.00 C ATOM 1610 O VAL A 103 162.581 -4.044 5.985 1.00 0.00 O ATOM 1611 CB VAL A 103 164.219 -3.404 3.353 1.00 0.00 C ATOM 1612 CG1 VAL A 103 162.937 -4.158 3.032 1.00 0.00 C ATOM 1613 CG2 VAL A 103 164.052 -1.918 3.079 1.00 0.00 C ATOM 0 H VAL A 103 164.346 -5.646 5.357 1.00 0.00 H new ATOM 0 HA VAL A 103 165.500 -3.018 5.065 1.00 0.00 H new ATOM 0 HB VAL A 103 165.008 -3.786 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 103 162.659 -3.977 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.095 -5.226 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.138 -3.812 3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.754 -1.771 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.285 -1.511 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 103 164.997 -1.406 3.262 1.00 0.00 H new ATOM 1623 N ILE A 104 163.491 -1.992 6.172 1.00 0.00 N ATOM 1624 CA ILE A 104 162.414 -1.481 7.014 1.00 0.00 C ATOM 1625 C ILE A 104 161.573 -0.474 6.245 1.00 0.00 C ATOM 1626 O ILE A 104 162.098 0.316 5.461 1.00 0.00 O ATOM 1627 CB ILE A 104 162.917 -0.811 8.308 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.208 -0.020 8.060 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.098 -1.849 9.401 1.00 0.00 C ATOM 1630 CD1 ILE A 104 165.461 -0.868 7.987 1.00 0.00 C ATOM 0 H ILE A 104 164.227 -1.316 5.967 1.00 0.00 H new ATOM 0 HA ILE A 104 161.819 -2.350 7.297 1.00 0.00 H new ATOM 0 HB ILE A 104 162.165 -0.096 8.641 1.00 0.00 H new ATOM 0 HG12 ILE A 104 164.105 0.535 7.127 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.328 0.714 8.856 1.00 0.00 H new ATOM 0 HG21 ILE A 104 163.454 -1.363 10.309 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.144 -2.337 9.600 1.00 0.00 H new ATOM 0 HG23 ILE A 104 163.826 -2.593 9.079 1.00 0.00 H new ATOM 0 HD11 ILE A 104 166.324 -0.227 7.809 1.00 0.00 H new ATOM 0 HD12 ILE A 104 165.594 -1.403 8.927 1.00 0.00 H new ATOM 0 HD13 ILE A 104 165.368 -1.585 7.172 1.00 0.00 H new ATOM 1642 N TRP A 105 160.267 -0.509 6.474 1.00 0.00 N ATOM 1643 CA TRP A 105 159.346 0.403 5.801 1.00 0.00 C ATOM 1644 C TRP A 105 158.716 1.374 6.795 1.00 0.00 C ATOM 1645 O TRP A 105 158.515 1.039 7.962 1.00 0.00 O ATOM 1646 CB TRP A 105 158.252 -0.381 5.076 1.00 0.00 C ATOM 1647 CG TRP A 105 158.785 -1.434 4.152 1.00 0.00 C ATOM 1648 CD1 TRP A 105 158.892 -2.769 4.412 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.286 -1.243 2.821 1.00 0.00 C ATOM 1650 NE1 TRP A 105 159.424 -3.421 3.327 1.00 0.00 N ATOM 1651 CE2 TRP A 105 159.674 -2.507 2.338 1.00 0.00 C ATOM 1652 CE3 TRP A 105 159.442 -0.129 1.989 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.206 -2.687 1.063 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 159.970 -0.310 0.725 1.00 0.00 C ATOM 1655 CH2 TRP A 105 160.346 -1.580 0.272 1.00 0.00 C ATOM 0 H TRP A 105 159.819 -1.159 7.121 1.00 0.00 H new ATOM 0 HA TRP A 105 159.916 0.977 5.070 1.00 0.00 H new ATOM 0 HB2 TRP A 105 157.603 -0.851 5.814 1.00 0.00 H new ATOM 0 HB3 TRP A 105 157.635 0.314 4.506 1.00 0.00 H new ATOM 0 HD1 TRP A 105 158.601 -3.244 5.337 1.00 0.00 H new ATOM 0 HE1 TRP A 105 159.604 -4.423 3.267 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.155 0.855 2.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 160.497 -3.666 0.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 160.095 0.543 0.075 1.00 0.00 H new ATOM 0 HH2 TRP A 105 160.755 -1.688 -0.722 1.00 0.00 H new ATOM 1666 N LYS A 106 158.404 2.577 6.322 1.00 0.00 N ATOM 1667 CA LYS A 106 157.794 3.597 7.168 1.00 0.00 C ATOM 1668 C LYS A 106 156.471 3.104 7.746 1.00 0.00 C ATOM 1669 O LYS A 106 155.861 2.172 7.222 1.00 0.00 O ATOM 1670 CB LYS A 106 157.572 4.884 6.369 1.00 0.00 C ATOM 1671 CG LYS A 106 158.478 6.028 6.796 1.00 0.00 C ATOM 1672 CD LYS A 106 157.679 7.243 7.246 1.00 0.00 C ATOM 1673 CE LYS A 106 157.727 8.357 6.212 1.00 0.00 C ATOM 1674 NZ LYS A 106 159.111 8.868 6.010 1.00 0.00 N ATOM 0 H LYS A 106 158.564 2.869 5.358 1.00 0.00 H new ATOM 0 HA LYS A 106 158.473 3.805 7.995 1.00 0.00 H new ATOM 0 HB2 LYS A 106 157.735 4.678 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 106 156.533 5.194 6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 106 159.124 5.696 7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 106 159.127 6.307 5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 106 156.643 6.953 7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 106 158.074 7.608 8.194 1.00 0.00 H new ATOM 0 HE2 LYS A 106 157.334 7.990 5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 106 157.081 9.175 6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 159.073 9.863 5.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 159.641 8.797 6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 159.587 8.302 5.279 1.00 0.00 H new ATOM 1688 N LYS A 107 156.032 3.737 8.829 1.00 0.00 N ATOM 1689 CA LYS A 107 154.780 3.362 9.477 1.00 0.00 C ATOM 1690 C LYS A 107 153.941 4.595 9.796 1.00 0.00 C ATOM 1691 O LYS A 107 154.523 5.606 10.243 1.00 0.00 O ATOM 1692 CB LYS A 107 155.061 2.576 10.760 1.00 0.00 C ATOM 1693 CG LYS A 107 156.123 3.211 11.643 1.00 0.00 C ATOM 1694 CD LYS A 107 157.509 2.679 11.318 1.00 0.00 C ATOM 1695 CE LYS A 107 158.596 3.576 11.887 1.00 0.00 C ATOM 1696 NZ LYS A 107 159.845 3.516 11.079 1.00 0.00 N ATOM 1697 OXT LYS A 107 152.710 4.539 9.596 1.00 0.00 O ATOM 0 H LYS A 107 156.524 4.511 9.276 1.00 0.00 H new ATOM 0 HA LYS A 107 154.218 2.731 8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 107 154.136 2.483 11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 107 155.376 1.566 10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 107 156.107 4.293 11.512 1.00 0.00 H new ATOM 0 HG3 LYS A 107 155.893 3.014 12.690 1.00 0.00 H new ATOM 0 HD2 LYS A 107 157.618 1.672 11.722 1.00 0.00 H new ATOM 0 HD3 LYS A 107 157.627 2.603 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 107 158.236 4.604 11.923 1.00 0.00 H new ATOM 0 HE3 LYS A 107 158.813 3.278 12.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 160.561 4.142 11.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 160.203 2.540 11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 159.644 3.825 10.106 1.00 0.00 H new