USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=8 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 Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= 0.0276 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -160:sc= -1.14 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 165:sc= -1.92 (180deg=-3.65!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.464 K(o=-0.46,f=-3.4!) USER MOD Single : A 40 GLN : amide:sc= -5.14! C(o=-5.1!,f=-10!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 83 MET CE :methyl -106:sc= -2.67! (180deg=-8.03!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -170:sc= -0.0195 USER MOD Single : A 94 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-2.9) USER MOD Single : A 102 HIS : no HD1:sc= -9.43! C(o=-9.4!,f=-12!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LYS A 6 185.841 -9.227 1.870 1.00 0.00 N ATOM 81 CA LYS A 6 185.521 -8.480 0.660 1.00 0.00 C ATOM 82 C LYS A 6 184.315 -7.574 0.885 1.00 0.00 C ATOM 83 O LYS A 6 183.278 -8.016 1.381 1.00 0.00 O ATOM 84 CB LYS A 6 185.249 -9.441 -0.501 1.00 0.00 C ATOM 85 CG LYS A 6 186.142 -9.204 -1.708 1.00 0.00 C ATOM 86 CD LYS A 6 186.007 -7.783 -2.233 1.00 0.00 C ATOM 87 CE LYS A 6 187.356 -7.198 -2.620 1.00 0.00 C ATOM 88 NZ LYS A 6 187.514 -5.798 -2.139 1.00 0.00 N ATOM 0 HA LYS A 6 186.378 -7.855 0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 6 185.386 -10.465 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 6 184.207 -9.344 -0.806 1.00 0.00 H new ATOM 0 HG2 LYS A 6 187.180 -9.395 -1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 6 185.884 -9.910 -2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 6 185.345 -7.776 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 6 185.543 -7.156 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 6 188.152 -7.816 -2.205 1.00 0.00 H new ATOM 0 HE3 LYS A 6 187.465 -7.224 -3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 188.447 -5.436 -2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 186.770 -5.202 -2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 187.436 -5.776 -1.102 1.00 0.00 H new ATOM 102 N LYS A 7 184.458 -6.304 0.521 1.00 0.00 N ATOM 103 CA LYS A 7 183.382 -5.336 0.687 1.00 0.00 C ATOM 104 C LYS A 7 182.540 -5.227 -0.582 1.00 0.00 C ATOM 105 O LYS A 7 182.695 -6.017 -1.514 1.00 0.00 O ATOM 106 CB LYS A 7 183.956 -3.968 1.059 1.00 0.00 C ATOM 107 CG LYS A 7 184.760 -3.317 -0.054 1.00 0.00 C ATOM 108 CD LYS A 7 184.469 -1.829 -0.146 1.00 0.00 C ATOM 109 CE LYS A 7 184.395 -1.363 -1.591 1.00 0.00 C ATOM 110 NZ LYS A 7 183.853 0.019 -1.702 1.00 0.00 N ATOM 0 H LYS A 7 185.309 -5.922 0.109 1.00 0.00 H new ATOM 0 HA LYS A 7 182.736 -5.682 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 7 183.137 -3.305 1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 7 184.592 -4.078 1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 7 185.824 -3.471 0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 7 184.524 -3.796 -1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 7 183.527 -1.610 0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 7 185.246 -1.272 0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 7 185.390 -1.400 -2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 7 183.766 -2.047 -2.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 184.221 0.468 -2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 182.815 -0.018 -1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 184.144 0.574 -0.872 1.00 0.00 H new ATOM 124 N LEU A 8 181.648 -4.242 -0.609 1.00 0.00 N ATOM 125 CA LEU A 8 180.778 -4.024 -1.759 1.00 0.00 C ATOM 126 C LEU A 8 180.970 -2.621 -2.328 1.00 0.00 C ATOM 127 O LEU A 8 181.203 -1.666 -1.587 1.00 0.00 O ATOM 128 CB LEU A 8 179.314 -4.236 -1.365 1.00 0.00 C ATOM 129 CG LEU A 8 178.668 -5.499 -1.935 1.00 0.00 C ATOM 130 CD1 LEU A 8 177.357 -5.796 -1.224 1.00 0.00 C ATOM 131 CD2 LEU A 8 178.442 -5.352 -3.432 1.00 0.00 C ATOM 0 H LEU A 8 181.509 -3.580 0.155 1.00 0.00 H new ATOM 0 HA LEU A 8 181.046 -4.747 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.247 -4.271 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 8 178.736 -3.371 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 8 179.345 -6.337 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 8 176.912 -6.698 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 8 177.545 -5.945 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 8 176.673 -4.958 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 8 177.982 -6.260 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 8 177.785 -4.503 -3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 8 179.398 -5.188 -3.930 1.00 0.00 H new ATOM 143 N ASP A 9 180.869 -2.505 -3.648 1.00 0.00 N ATOM 144 CA ASP A 9 181.031 -1.220 -4.316 1.00 0.00 C ATOM 145 C ASP A 9 179.783 -0.356 -4.140 1.00 0.00 C ATOM 146 O ASP A 9 178.668 -0.871 -4.061 1.00 0.00 O ATOM 147 CB ASP A 9 181.321 -1.427 -5.805 1.00 0.00 C ATOM 148 CG ASP A 9 182.548 -0.666 -6.266 1.00 0.00 C ATOM 149 OD1 ASP A 9 183.607 -0.797 -5.616 1.00 0.00 O ATOM 150 OD2 ASP A 9 182.451 0.061 -7.277 1.00 0.00 O ATOM 0 H ASP A 9 180.676 -3.285 -4.276 1.00 0.00 H new ATOM 0 HA ASP A 9 181.876 -0.704 -3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 9 181.461 -2.490 -6.001 1.00 0.00 H new ATOM 0 HB3 ASP A 9 180.458 -1.107 -6.388 1.00 0.00 H new ATOM 155 N PRO A 10 179.956 0.976 -4.076 1.00 0.00 N ATOM 156 CA PRO A 10 178.838 1.910 -3.908 1.00 0.00 C ATOM 157 C PRO A 10 177.728 1.675 -4.927 1.00 0.00 C ATOM 158 O PRO A 10 176.554 1.580 -4.571 1.00 0.00 O ATOM 159 CB PRO A 10 179.482 3.280 -4.125 1.00 0.00 C ATOM 160 CG PRO A 10 180.915 3.086 -3.768 1.00 0.00 C ATOM 161 CD PRO A 10 181.252 1.675 -4.162 1.00 0.00 C ATOM 0 HA PRO A 10 178.359 1.800 -2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 10 179.373 3.610 -5.158 1.00 0.00 H new ATOM 0 HB3 PRO A 10 179.017 4.040 -3.497 1.00 0.00 H new ATOM 0 HG2 PRO A 10 181.548 3.800 -4.294 1.00 0.00 H new ATOM 0 HG3 PRO A 10 181.076 3.243 -2.701 1.00 0.00 H new ATOM 0 HD2 PRO A 10 181.668 1.628 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 10 181.990 1.236 -3.491 1.00 0.00 H new ATOM 169 N ASP A 11 178.108 1.584 -6.197 1.00 0.00 N ATOM 170 CA ASP A 11 177.145 1.362 -7.269 1.00 0.00 C ATOM 171 C ASP A 11 176.598 -0.061 -7.225 1.00 0.00 C ATOM 172 O ASP A 11 175.458 -0.310 -7.616 1.00 0.00 O ATOM 173 CB ASP A 11 177.794 1.628 -8.629 1.00 0.00 C ATOM 174 CG ASP A 11 177.684 3.081 -9.048 1.00 0.00 C ATOM 175 OD1 ASP A 11 178.421 3.918 -8.487 1.00 0.00 O ATOM 176 OD2 ASP A 11 176.860 3.381 -9.938 1.00 0.00 O ATOM 0 H ASP A 11 179.076 1.661 -6.509 1.00 0.00 H new ATOM 0 HA ASP A 11 176.316 2.055 -7.127 1.00 0.00 H new ATOM 0 HB2 ASP A 11 178.845 1.343 -8.589 1.00 0.00 H new ATOM 0 HB3 ASP A 11 177.322 0.999 -9.383 1.00 0.00 H new ATOM 181 N THR A 12 177.418 -0.992 -6.747 1.00 0.00 N ATOM 182 CA THR A 12 177.015 -2.390 -6.654 1.00 0.00 C ATOM 183 C THR A 12 175.895 -2.570 -5.634 1.00 0.00 C ATOM 184 O THR A 12 174.874 -3.194 -5.924 1.00 0.00 O ATOM 185 CB THR A 12 178.212 -3.264 -6.276 1.00 0.00 C ATOM 186 OG1 THR A 12 179.321 -2.983 -7.112 1.00 0.00 O ATOM 187 CG2 THR A 12 177.926 -4.747 -6.375 1.00 0.00 C ATOM 0 H THR A 12 178.365 -0.803 -6.418 1.00 0.00 H new ATOM 0 HA THR A 12 176.643 -2.699 -7.631 1.00 0.00 H new ATOM 0 HB THR A 12 178.430 -3.022 -5.236 1.00 0.00 H new ATOM 0 HG1 THR A 12 179.950 -3.734 -7.084 1.00 0.00 H new ATOM 0 HG21 THR A 12 178.817 -5.309 -6.093 1.00 0.00 H new ATOM 0 HG22 THR A 12 177.107 -5.005 -5.704 1.00 0.00 H new ATOM 0 HG23 THR A 12 177.648 -4.996 -7.399 1.00 0.00 H new ATOM 195 N ALA A 13 176.091 -2.018 -4.441 1.00 0.00 N ATOM 196 CA ALA A 13 175.094 -2.118 -3.381 1.00 0.00 C ATOM 197 C ALA A 13 173.814 -1.383 -3.763 1.00 0.00 C ATOM 198 O ALA A 13 172.710 -1.891 -3.567 1.00 0.00 O ATOM 199 CB ALA A 13 175.652 -1.566 -2.078 1.00 0.00 C ATOM 0 H ALA A 13 176.930 -1.498 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 13 174.851 -3.171 -3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 13 174.897 -1.647 -1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 13 176.535 -2.136 -1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 13 175.924 -0.519 -2.213 1.00 0.00 H new ATOM 205 N ILE A 14 173.972 -0.184 -4.314 1.00 0.00 N ATOM 206 CA ILE A 14 172.833 0.625 -4.730 1.00 0.00 C ATOM 207 C ILE A 14 172.000 -0.107 -5.780 1.00 0.00 C ATOM 208 O ILE A 14 170.776 0.023 -5.818 1.00 0.00 O ATOM 209 CB ILE A 14 173.296 1.986 -5.296 1.00 0.00 C ATOM 210 CG1 ILE A 14 173.871 2.856 -4.176 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.148 2.703 -5.993 1.00 0.00 C ATOM 212 CD1 ILE A 14 174.631 4.064 -4.679 1.00 0.00 C ATOM 0 H ILE A 14 174.880 0.249 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 14 172.218 0.801 -3.848 1.00 0.00 H new ATOM 0 HB ILE A 14 174.077 1.803 -6.034 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.057 3.191 -3.533 1.00 0.00 H new ATOM 0 HG13 ILE A 14 174.535 2.249 -3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 14 172.499 3.658 -6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 14 171.781 2.089 -6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 14 171.341 2.876 -5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.010 4.634 -3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 14 175.466 3.737 -5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 14 173.965 4.692 -5.270 1.00 0.00 H new ATOM 224 N ASP A 15 172.673 -0.875 -6.627 1.00 0.00 N ATOM 225 CA ASP A 15 171.999 -1.630 -7.678 1.00 0.00 C ATOM 226 C ASP A 15 171.144 -2.747 -7.086 1.00 0.00 C ATOM 227 O ASP A 15 170.005 -2.958 -7.502 1.00 0.00 O ATOM 228 CB ASP A 15 173.025 -2.216 -8.651 1.00 0.00 C ATOM 229 CG ASP A 15 172.596 -2.073 -10.098 1.00 0.00 C ATOM 230 OD1 ASP A 15 172.018 -1.022 -10.445 1.00 0.00 O ATOM 231 OD2 ASP A 15 172.840 -3.012 -10.885 1.00 0.00 O ATOM 0 H ASP A 15 173.686 -0.992 -6.608 1.00 0.00 H new ATOM 0 HA ASP A 15 171.344 -0.946 -8.219 1.00 0.00 H new ATOM 0 HB2 ASP A 15 173.984 -1.717 -8.508 1.00 0.00 H new ATOM 0 HB3 ASP A 15 173.177 -3.271 -8.422 1.00 0.00 H new ATOM 236 N ILE A 16 171.702 -3.461 -6.112 1.00 0.00 N ATOM 237 CA ILE A 16 170.990 -4.557 -5.466 1.00 0.00 C ATOM 238 C ILE A 16 169.772 -4.049 -4.702 1.00 0.00 C ATOM 239 O ILE A 16 168.653 -4.512 -4.923 1.00 0.00 O ATOM 240 CB ILE A 16 171.905 -5.334 -4.497 1.00 0.00 C ATOM 241 CG1 ILE A 16 173.202 -5.740 -5.196 1.00 0.00 C ATOM 242 CG2 ILE A 16 171.187 -6.562 -3.961 1.00 0.00 C ATOM 243 CD1 ILE A 16 174.428 -5.610 -4.318 1.00 0.00 C ATOM 0 H ILE A 16 172.643 -3.300 -5.754 1.00 0.00 H new ATOM 0 HA ILE A 16 170.663 -5.229 -6.259 1.00 0.00 H new ATOM 0 HB ILE A 16 172.153 -4.682 -3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 16 173.115 -6.773 -5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 16 173.335 -5.123 -6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 16 171.846 -7.100 -3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.287 -6.254 -3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 16 170.913 -7.214 -4.790 1.00 0.00 H new ATOM 0 HD11 ILE A 16 175.311 -5.915 -4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 16 174.540 -4.573 -4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 16 174.317 -6.248 -3.441 1.00 0.00 H new ATOM 255 N ALA A 17 169.995 -3.095 -3.802 1.00 0.00 N ATOM 256 CA ALA A 17 168.912 -2.528 -3.007 1.00 0.00 C ATOM 257 C ALA A 17 167.805 -1.974 -3.898 1.00 0.00 C ATOM 258 O ALA A 17 166.620 -2.135 -3.606 1.00 0.00 O ATOM 259 CB ALA A 17 169.445 -1.438 -2.089 1.00 0.00 C ATOM 0 H ALA A 17 170.915 -2.700 -3.606 1.00 0.00 H new ATOM 0 HA ALA A 17 168.487 -3.327 -2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 17 168.625 -1.024 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 17 170.194 -1.860 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 17 169.898 -0.648 -2.687 1.00 0.00 H new ATOM 265 N TYR A 18 168.200 -1.321 -4.987 1.00 0.00 N ATOM 266 CA TYR A 18 167.240 -0.744 -5.921 1.00 0.00 C ATOM 267 C TYR A 18 166.277 -1.810 -6.436 1.00 0.00 C ATOM 268 O TYR A 18 165.059 -1.641 -6.377 1.00 0.00 O ATOM 269 CB TYR A 18 167.969 -0.088 -7.094 1.00 0.00 C ATOM 270 CG TYR A 18 167.090 0.821 -7.923 1.00 0.00 C ATOM 271 CD1 TYR A 18 166.123 0.299 -8.772 1.00 0.00 C ATOM 272 CD2 TYR A 18 167.229 2.202 -7.857 1.00 0.00 C ATOM 273 CE1 TYR A 18 165.318 1.127 -9.531 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.427 3.037 -8.613 1.00 0.00 C ATOM 275 CZ TYR A 18 165.474 2.494 -9.448 1.00 0.00 C ATOM 276 OH TYR A 18 164.675 3.322 -10.202 1.00 0.00 O ATOM 0 H TYR A 18 169.177 -1.179 -5.244 1.00 0.00 H new ATOM 0 HA TYR A 18 166.665 0.015 -5.391 1.00 0.00 H new ATOM 0 HB2 TYR A 18 168.812 0.487 -6.711 1.00 0.00 H new ATOM 0 HB3 TYR A 18 168.380 -0.867 -7.737 1.00 0.00 H new ATOM 0 HD1 TYR A 18 165.998 -0.772 -8.840 1.00 0.00 H new ATOM 0 HD2 TYR A 18 167.976 2.630 -7.205 1.00 0.00 H new ATOM 0 HE1 TYR A 18 164.570 0.705 -10.186 1.00 0.00 H new ATOM 0 HE2 TYR A 18 166.547 4.108 -8.550 1.00 0.00 H new ATOM 0 HH TYR A 18 164.913 4.256 -10.025 1.00 0.00 H new ATOM 286 N ASP A 19 166.831 -2.908 -6.939 1.00 0.00 N ATOM 287 CA ASP A 19 166.020 -4.002 -7.460 1.00 0.00 C ATOM 288 C ASP A 19 165.119 -4.577 -6.371 1.00 0.00 C ATOM 289 O ASP A 19 164.010 -5.036 -6.646 1.00 0.00 O ATOM 290 CB ASP A 19 166.915 -5.103 -8.031 1.00 0.00 C ATOM 291 CG ASP A 19 166.332 -5.730 -9.283 1.00 0.00 C ATOM 292 OD1 ASP A 19 165.628 -5.019 -10.030 1.00 0.00 O ATOM 293 OD2 ASP A 19 166.580 -6.932 -9.516 1.00 0.00 O ATOM 0 H ASP A 19 167.837 -3.064 -6.997 1.00 0.00 H new ATOM 0 HA ASP A 19 165.391 -3.606 -8.257 1.00 0.00 H new ATOM 0 HB2 ASP A 19 167.897 -4.688 -8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 19 167.063 -5.875 -7.276 1.00 0.00 H new ATOM 298 N ILE A 20 165.601 -4.543 -5.132 1.00 0.00 N ATOM 299 CA ILE A 20 164.838 -5.057 -4.002 1.00 0.00 C ATOM 300 C ILE A 20 163.696 -4.118 -3.640 1.00 0.00 C ATOM 301 O ILE A 20 162.662 -4.554 -3.141 1.00 0.00 O ATOM 302 CB ILE A 20 165.733 -5.270 -2.764 1.00 0.00 C ATOM 303 CG1 ILE A 20 166.912 -6.182 -3.110 1.00 0.00 C ATOM 304 CG2 ILE A 20 164.925 -5.859 -1.616 1.00 0.00 C ATOM 305 CD1 ILE A 20 168.130 -5.949 -2.243 1.00 0.00 C ATOM 0 H ILE A 20 166.516 -4.165 -4.886 1.00 0.00 H new ATOM 0 HA ILE A 20 164.429 -6.020 -4.309 1.00 0.00 H new ATOM 0 HB ILE A 20 166.123 -4.302 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 20 166.599 -7.221 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 20 167.185 -6.030 -4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 20 165.573 -6.002 -0.751 1.00 0.00 H new ATOM 0 HG22 ILE A 20 164.115 -5.178 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 20 164.508 -6.819 -1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 20 168.926 -6.630 -2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 20 168.469 -4.920 -2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 20 167.874 -6.130 -1.199 1.00 0.00 H new ATOM 317 N PHE A 21 163.878 -2.831 -3.909 1.00 0.00 N ATOM 318 CA PHE A 21 162.848 -1.842 -3.622 1.00 0.00 C ATOM 319 C PHE A 21 161.749 -1.899 -4.677 1.00 0.00 C ATOM 320 O PHE A 21 160.605 -1.528 -4.423 1.00 0.00 O ATOM 321 CB PHE A 21 163.467 -0.443 -3.584 1.00 0.00 C ATOM 322 CG PHE A 21 162.467 0.661 -3.393 1.00 0.00 C ATOM 323 CD1 PHE A 21 161.596 0.643 -2.318 1.00 0.00 C ATOM 324 CD2 PHE A 21 162.402 1.717 -4.287 1.00 0.00 C ATOM 325 CE1 PHE A 21 160.677 1.659 -2.136 1.00 0.00 C ATOM 326 CE2 PHE A 21 161.486 2.736 -4.111 1.00 0.00 C ATOM 327 CZ PHE A 21 160.622 2.707 -3.034 1.00 0.00 C ATOM 0 H PHE A 21 164.728 -2.449 -4.325 1.00 0.00 H new ATOM 0 HA PHE A 21 162.408 -2.065 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 21 164.198 -0.402 -2.776 1.00 0.00 H new ATOM 0 HB3 PHE A 21 164.010 -0.271 -4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 21 161.635 -0.174 -1.613 1.00 0.00 H new ATOM 0 HD2 PHE A 21 163.075 1.744 -5.131 1.00 0.00 H new ATOM 0 HE1 PHE A 21 160.003 1.634 -1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 21 161.446 3.554 -4.815 1.00 0.00 H new ATOM 0 HZ PHE A 21 159.905 3.502 -2.894 1.00 0.00 H new ATOM 337 N LEU A 22 162.114 -2.365 -5.864 1.00 0.00 N ATOM 338 CA LEU A 22 161.179 -2.475 -6.975 1.00 0.00 C ATOM 339 C LEU A 22 160.282 -3.697 -6.823 1.00 0.00 C ATOM 340 O LEU A 22 159.127 -3.691 -7.248 1.00 0.00 O ATOM 341 CB LEU A 22 161.959 -2.583 -8.283 1.00 0.00 C ATOM 342 CG LEU A 22 161.661 -1.511 -9.329 1.00 0.00 C ATOM 343 CD1 LEU A 22 161.745 -0.120 -8.718 1.00 0.00 C ATOM 344 CD2 LEU A 22 162.632 -1.654 -10.486 1.00 0.00 C ATOM 0 H LEU A 22 163.061 -2.676 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 22 160.549 -1.585 -6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 22 163.024 -2.551 -8.052 1.00 0.00 H new ATOM 0 HB3 LEU A 22 161.757 -3.559 -8.724 1.00 0.00 H new ATOM 0 HG LEU A 22 160.645 -1.646 -9.699 1.00 0.00 H new ATOM 0 HD11 LEU A 22 161.529 0.627 -9.482 1.00 0.00 H new ATOM 0 HD12 LEU A 22 161.019 -0.033 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 22 162.748 0.044 -8.324 1.00 0.00 H new ATOM 0 HD21 LEU A 22 162.421 -0.890 -11.234 1.00 0.00 H new ATOM 0 HD22 LEU A 22 163.652 -1.534 -10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 22 162.521 -2.641 -10.934 1.00 0.00 H new ATOM 356 N GLU A 23 160.829 -4.748 -6.229 1.00 0.00 N ATOM 357 CA GLU A 23 160.086 -5.990 -6.034 1.00 0.00 C ATOM 358 C GLU A 23 159.476 -6.084 -4.635 1.00 0.00 C ATOM 359 O GLU A 23 158.363 -6.585 -4.472 1.00 0.00 O ATOM 360 CB GLU A 23 161.000 -7.191 -6.282 1.00 0.00 C ATOM 361 CG GLU A 23 162.110 -7.336 -5.254 1.00 0.00 C ATOM 362 CD GLU A 23 162.929 -8.596 -5.454 1.00 0.00 C ATOM 363 OE1 GLU A 23 162.527 -9.655 -4.928 1.00 0.00 O ATOM 364 OE2 GLU A 23 163.972 -8.524 -6.137 1.00 0.00 O ATOM 0 H GLU A 23 161.785 -4.768 -5.873 1.00 0.00 H new ATOM 0 HA GLU A 23 159.266 -5.994 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 23 160.398 -8.100 -6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 23 161.444 -7.100 -7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 23 162.767 -6.468 -5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 23 161.676 -7.344 -4.254 1.00 0.00 H new ATOM 371 N MET A 24 160.204 -5.615 -3.624 1.00 0.00 N ATOM 372 CA MET A 24 159.714 -5.671 -2.248 1.00 0.00 C ATOM 373 C MET A 24 158.657 -4.606 -1.986 1.00 0.00 C ATOM 374 O MET A 24 157.584 -4.903 -1.459 1.00 0.00 O ATOM 375 CB MET A 24 160.860 -5.500 -1.250 1.00 0.00 C ATOM 376 CG MET A 24 161.821 -6.676 -1.213 1.00 0.00 C ATOM 377 SD MET A 24 162.669 -6.827 0.372 1.00 0.00 S ATOM 378 CE MET A 24 161.281 -6.844 1.504 1.00 0.00 C ATOM 0 H MET A 24 161.128 -5.195 -3.729 1.00 0.00 H new ATOM 0 HA MET A 24 159.262 -6.654 -2.113 1.00 0.00 H new ATOM 0 HB2 MET A 24 161.416 -4.596 -1.500 1.00 0.00 H new ATOM 0 HB3 MET A 24 160.443 -5.352 -0.254 1.00 0.00 H new ATOM 0 HG2 MET A 24 161.272 -7.596 -1.417 1.00 0.00 H new ATOM 0 HG3 MET A 24 162.559 -6.563 -2.007 1.00 0.00 H new ATOM 0 HE1 MET A 24 161.613 -7.195 2.481 1.00 0.00 H new ATOM 0 HE2 MET A 24 160.876 -5.836 1.599 1.00 0.00 H new ATOM 0 HE3 MET A 24 160.508 -7.511 1.122 1.00 0.00 H new ATOM 388 N ALA A 25 158.963 -3.364 -2.348 1.00 0.00 N ATOM 389 CA ALA A 25 158.028 -2.259 -2.138 1.00 0.00 C ATOM 390 C ALA A 25 156.633 -2.605 -2.650 1.00 0.00 C ATOM 391 O ALA A 25 156.416 -2.728 -3.855 1.00 0.00 O ATOM 392 CB ALA A 25 158.539 -0.996 -2.813 1.00 0.00 C ATOM 0 H ALA A 25 159.845 -3.096 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 25 157.957 -2.083 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 25 157.832 -0.183 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 25 159.508 -0.725 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 25 158.644 -1.173 -3.883 1.00 0.00 H new ATOM 398 N GLY A 26 155.689 -2.761 -1.725 1.00 0.00 N ATOM 399 CA GLY A 26 154.328 -3.092 -2.107 1.00 0.00 C ATOM 400 C GLY A 26 153.366 -3.072 -0.935 1.00 0.00 C ATOM 401 O GLY A 26 152.855 -2.016 -0.560 1.00 0.00 O ATOM 0 H GLY A 26 155.842 -2.664 -0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 26 153.986 -2.386 -2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 26 154.315 -4.081 -2.565 1.00 0.00 H new ATOM 405 N GLU A 27 153.111 -4.243 -0.360 1.00 0.00 N ATOM 406 CA GLU A 27 152.195 -4.360 0.772 1.00 0.00 C ATOM 407 C GLU A 27 152.933 -4.273 2.109 1.00 0.00 C ATOM 408 O GLU A 27 152.306 -4.271 3.168 1.00 0.00 O ATOM 409 CB GLU A 27 151.424 -5.678 0.691 1.00 0.00 C ATOM 410 CG GLU A 27 150.342 -5.686 -0.378 1.00 0.00 C ATOM 411 CD GLU A 27 148.945 -5.776 0.205 1.00 0.00 C ATOM 412 OE1 GLU A 27 148.599 -4.925 1.051 1.00 0.00 O ATOM 413 OE2 GLU A 27 148.197 -6.697 -0.185 1.00 0.00 O ATOM 0 H GLU A 27 153.526 -5.126 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 27 151.497 -3.524 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 27 152.126 -6.488 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 27 150.968 -5.882 1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 27 150.423 -4.780 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 27 150.506 -6.529 -1.049 1.00 0.00 H new ATOM 420 N ASN A 28 154.260 -4.202 2.060 1.00 0.00 N ATOM 421 CA ASN A 28 155.062 -4.117 3.276 1.00 0.00 C ATOM 422 C ASN A 28 155.295 -2.663 3.675 1.00 0.00 C ATOM 423 O ASN A 28 155.409 -2.344 4.858 1.00 0.00 O ATOM 424 CB ASN A 28 156.402 -4.827 3.079 1.00 0.00 C ATOM 425 CG ASN A 28 156.354 -6.280 3.509 1.00 0.00 C ATOM 426 OD1 ASN A 28 155.668 -7.098 2.896 1.00 0.00 O ATOM 427 ND2 ASN A 28 157.082 -6.608 4.570 1.00 0.00 N ATOM 0 H ASN A 28 154.801 -4.202 1.195 1.00 0.00 H new ATOM 0 HA ASN A 28 154.513 -4.610 4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 28 156.689 -4.771 2.029 1.00 0.00 H new ATOM 0 HB3 ASN A 28 157.173 -4.308 3.648 1.00 0.00 H new ATOM 0 HD21 ASN A 28 157.087 -7.571 4.907 1.00 0.00 H new ATOM 0 HD22 ASN A 28 157.636 -5.897 5.048 1.00 0.00 H new ATOM 434 N LEU A 29 155.364 -1.787 2.679 1.00 0.00 N ATOM 435 CA LEU A 29 155.582 -0.365 2.921 1.00 0.00 C ATOM 436 C LEU A 29 154.246 0.372 3.025 1.00 0.00 C ATOM 437 O LEU A 29 153.308 0.088 2.281 1.00 0.00 O ATOM 438 CB LEU A 29 156.454 0.220 1.804 1.00 0.00 C ATOM 439 CG LEU A 29 156.500 1.747 1.719 1.00 0.00 C ATOM 440 CD1 LEU A 29 157.885 2.217 1.303 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.455 2.241 0.732 1.00 0.00 C ATOM 0 H LEU A 29 155.272 -2.037 1.694 1.00 0.00 H new ATOM 0 HA LEU A 29 156.103 -0.237 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 29 157.472 -0.148 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 29 156.095 -0.167 0.850 1.00 0.00 H new ATOM 0 HG LEU A 29 156.281 2.160 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 29 157.899 3.306 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.618 1.882 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 29 158.132 1.801 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.493 3.329 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 29 155.657 1.820 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.465 1.929 1.064 1.00 0.00 H new ATOM 453 N ASP A 30 154.164 1.305 3.972 1.00 0.00 N ATOM 454 CA ASP A 30 152.938 2.073 4.204 1.00 0.00 C ATOM 455 C ASP A 30 152.363 2.643 2.902 1.00 0.00 C ATOM 456 O ASP A 30 153.088 3.221 2.095 1.00 0.00 O ATOM 457 CB ASP A 30 153.203 3.202 5.204 1.00 0.00 C ATOM 458 CG ASP A 30 152.423 3.026 6.492 1.00 0.00 C ATOM 459 OD1 ASP A 30 152.532 1.946 7.110 1.00 0.00 O ATOM 460 OD2 ASP A 30 151.703 3.969 6.884 1.00 0.00 O ATOM 0 H ASP A 30 154.934 1.549 4.594 1.00 0.00 H new ATOM 0 HA ASP A 30 152.196 1.390 4.618 1.00 0.00 H new ATOM 0 HB2 ASP A 30 154.269 3.241 5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 30 152.938 4.157 4.749 1.00 0.00 H new ATOM 465 N PRO A 31 151.040 2.482 2.688 1.00 0.00 N ATOM 466 CA PRO A 31 150.353 2.970 1.484 1.00 0.00 C ATOM 467 C PRO A 31 150.797 4.364 1.049 1.00 0.00 C ATOM 468 O PRO A 31 151.235 4.555 -0.083 1.00 0.00 O ATOM 469 CB PRO A 31 148.889 2.986 1.913 1.00 0.00 C ATOM 470 CG PRO A 31 148.780 1.868 2.891 1.00 0.00 C ATOM 471 CD PRO A 31 150.103 1.805 3.610 1.00 0.00 C ATOM 0 HA PRO A 31 150.566 2.342 0.619 1.00 0.00 H new ATOM 0 HB2 PRO A 31 148.618 3.939 2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 31 148.224 2.837 1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 31 147.964 2.043 3.592 1.00 0.00 H new ATOM 0 HG3 PRO A 31 148.568 0.927 2.384 1.00 0.00 H new ATOM 0 HD2 PRO A 31 150.058 2.309 4.575 1.00 0.00 H new ATOM 0 HD3 PRO A 31 150.405 0.775 3.802 1.00 0.00 H new ATOM 479 N ALA A 32 150.682 5.340 1.946 1.00 0.00 N ATOM 480 CA ALA A 32 151.077 6.712 1.631 1.00 0.00 C ATOM 481 C ALA A 32 152.453 6.741 0.973 1.00 0.00 C ATOM 482 O ALA A 32 152.619 7.245 -0.140 1.00 0.00 O ATOM 483 CB ALA A 32 151.074 7.565 2.891 1.00 0.00 C ATOM 0 H ALA A 32 150.321 5.209 2.891 1.00 0.00 H new ATOM 0 HA ALA A 32 150.353 7.124 0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 32 151.370 8.584 2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 32 150.073 7.573 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 32 151.777 7.150 3.613 1.00 0.00 H new ATOM 489 N ASP A 33 153.434 6.189 1.677 1.00 0.00 N ATOM 490 CA ASP A 33 154.803 6.135 1.181 1.00 0.00 C ATOM 491 C ASP A 33 154.848 5.578 -0.242 1.00 0.00 C ATOM 492 O ASP A 33 155.747 5.904 -1.016 1.00 0.00 O ATOM 493 CB ASP A 33 155.673 5.291 2.116 1.00 0.00 C ATOM 494 CG ASP A 33 155.875 5.953 3.465 1.00 0.00 C ATOM 495 OD1 ASP A 33 154.874 6.145 4.188 1.00 0.00 O ATOM 496 OD2 ASP A 33 157.032 6.279 3.800 1.00 0.00 O ATOM 0 H ASP A 33 153.305 5.770 2.598 1.00 0.00 H new ATOM 0 HA ASP A 33 155.198 7.151 1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 33 155.209 4.315 2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 33 156.643 5.118 1.649 1.00 0.00 H new ATOM 501 N ILE A 34 153.862 4.753 -0.586 1.00 0.00 N ATOM 502 CA ILE A 34 153.786 4.175 -1.924 1.00 0.00 C ATOM 503 C ILE A 34 153.469 5.257 -2.948 1.00 0.00 C ATOM 504 O ILE A 34 154.179 5.422 -3.940 1.00 0.00 O ATOM 505 CB ILE A 34 152.705 3.077 -2.012 1.00 0.00 C ATOM 506 CG1 ILE A 34 152.911 2.031 -0.918 1.00 0.00 C ATOM 507 CG2 ILE A 34 152.720 2.424 -3.384 1.00 0.00 C ATOM 508 CD1 ILE A 34 151.856 0.947 -0.914 1.00 0.00 C ATOM 0 H ILE A 34 153.108 4.471 0.040 1.00 0.00 H new ATOM 0 HA ILE A 34 154.757 3.727 -2.136 1.00 0.00 H new ATOM 0 HB ILE A 34 151.730 3.542 -1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 34 153.892 1.572 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 34 152.914 2.527 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 34 151.951 1.652 -3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 34 152.523 3.177 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 34 153.697 1.974 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 34 152.065 0.239 -0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 34 150.875 1.395 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 34 151.867 0.425 -1.871 1.00 0.00 H new ATOM 520 N LEU A 35 152.392 5.993 -2.691 1.00 0.00 N ATOM 521 CA LEU A 35 151.959 7.069 -3.576 1.00 0.00 C ATOM 522 C LEU A 35 153.117 8.004 -3.915 1.00 0.00 C ATOM 523 O LEU A 35 153.480 8.158 -5.081 1.00 0.00 O ATOM 524 CB LEU A 35 150.824 7.861 -2.926 1.00 0.00 C ATOM 525 CG LEU A 35 150.179 8.920 -3.824 1.00 0.00 C ATOM 526 CD1 LEU A 35 148.788 8.480 -4.257 1.00 0.00 C ATOM 527 CD2 LEU A 35 150.117 10.262 -3.109 1.00 0.00 C ATOM 0 H LEU A 35 151.800 5.862 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 35 151.601 6.619 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 35 150.053 7.162 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 35 151.208 8.350 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 35 150.795 9.034 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 35 148.346 9.246 -4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 35 148.858 7.544 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 35 148.162 8.335 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 35 149.656 11.002 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 35 149.525 10.163 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 35 151.126 10.584 -2.852 1.00 0.00 H new ATOM 539 N LEU A 36 153.697 8.626 -2.890 1.00 0.00 N ATOM 540 CA LEU A 36 154.818 9.543 -3.089 1.00 0.00 C ATOM 541 C LEU A 36 155.906 8.888 -3.937 1.00 0.00 C ATOM 542 O LEU A 36 156.495 9.520 -4.813 1.00 0.00 O ATOM 543 CB LEU A 36 155.396 9.976 -1.740 1.00 0.00 C ATOM 544 CG LEU A 36 154.732 11.204 -1.114 1.00 0.00 C ATOM 545 CD1 LEU A 36 155.009 12.444 -1.949 1.00 0.00 C ATOM 546 CD2 LEU A 36 153.234 10.982 -0.967 1.00 0.00 C ATOM 0 H LEU A 36 153.411 8.513 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 36 154.450 10.423 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 36 155.314 9.142 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 36 156.459 10.182 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 36 155.156 11.357 -0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 36 154.529 13.307 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 36 156.084 12.613 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 36 154.612 12.302 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 36 152.777 11.865 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 36 152.795 10.804 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 36 153.055 10.118 -0.327 1.00 0.00 H new ATOM 558 N PHE A 37 156.150 7.610 -3.674 1.00 0.00 N ATOM 559 CA PHE A 37 157.148 6.847 -4.411 1.00 0.00 C ATOM 560 C PHE A 37 156.737 6.707 -5.877 1.00 0.00 C ATOM 561 O PHE A 37 157.584 6.664 -6.769 1.00 0.00 O ATOM 562 CB PHE A 37 157.330 5.464 -3.766 1.00 0.00 C ATOM 563 CG PHE A 37 157.933 4.428 -4.677 1.00 0.00 C ATOM 564 CD1 PHE A 37 158.996 4.746 -5.506 1.00 0.00 C ATOM 565 CD2 PHE A 37 157.433 3.135 -4.701 1.00 0.00 C ATOM 566 CE1 PHE A 37 159.550 3.794 -6.342 1.00 0.00 C ATOM 567 CE2 PHE A 37 157.983 2.180 -5.534 1.00 0.00 C ATOM 568 CZ PHE A 37 159.042 2.510 -6.356 1.00 0.00 C ATOM 0 H PHE A 37 155.666 7.078 -2.951 1.00 0.00 H new ATOM 0 HA PHE A 37 158.099 7.379 -4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 37 157.963 5.568 -2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 37 156.360 5.107 -3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.397 5.749 -5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 37 156.604 2.871 -4.061 1.00 0.00 H new ATOM 0 HE1 PHE A 37 160.379 4.054 -6.983 1.00 0.00 H new ATOM 0 HE2 PHE A 37 157.585 1.176 -5.542 1.00 0.00 H new ATOM 0 HZ PHE A 37 159.472 1.765 -7.009 1.00 0.00 H new ATOM 578 N ASN A 38 155.433 6.636 -6.120 1.00 0.00 N ATOM 579 CA ASN A 38 154.918 6.500 -7.478 1.00 0.00 C ATOM 580 C ASN A 38 154.888 7.847 -8.192 1.00 0.00 C ATOM 581 O ASN A 38 155.176 7.937 -9.385 1.00 0.00 O ATOM 582 CB ASN A 38 153.515 5.892 -7.455 1.00 0.00 C ATOM 583 CG ASN A 38 153.517 4.449 -6.988 1.00 0.00 C ATOM 584 OD1 ASN A 38 154.343 4.051 -6.168 1.00 0.00 O ATOM 585 ND2 ASN A 38 152.588 3.657 -7.511 1.00 0.00 N ATOM 0 H ASN A 38 154.715 6.670 -5.397 1.00 0.00 H new ATOM 0 HA ASN A 38 155.587 5.836 -8.025 1.00 0.00 H new ATOM 0 HB2 ASN A 38 152.877 6.483 -6.798 1.00 0.00 H new ATOM 0 HB3 ASN A 38 153.082 5.947 -8.454 1.00 0.00 H new ATOM 0 HD21 ASN A 38 152.540 2.676 -7.235 1.00 0.00 H new ATOM 0 HD22 ASN A 38 151.923 4.030 -8.188 1.00 0.00 H new ATOM 592 N LEU A 39 154.521 8.890 -7.456 1.00 0.00 N ATOM 593 CA LEU A 39 154.432 10.232 -8.014 1.00 0.00 C ATOM 594 C LEU A 39 155.805 10.889 -8.129 1.00 0.00 C ATOM 595 O LEU A 39 156.093 11.568 -9.115 1.00 0.00 O ATOM 596 CB LEU A 39 153.518 11.097 -7.143 1.00 0.00 C ATOM 597 CG LEU A 39 152.019 10.778 -7.222 1.00 0.00 C ATOM 598 CD1 LEU A 39 151.776 9.319 -7.584 1.00 0.00 C ATOM 599 CD2 LEU A 39 151.344 11.114 -5.902 1.00 0.00 C ATOM 0 H LEU A 39 154.279 8.830 -6.467 1.00 0.00 H new ATOM 0 HA LEU A 39 154.016 10.147 -9.018 1.00 0.00 H new ATOM 0 HB2 LEU A 39 153.837 10.998 -6.105 1.00 0.00 H new ATOM 0 HB3 LEU A 39 153.663 12.141 -7.423 1.00 0.00 H new ATOM 0 HG LEU A 39 151.586 11.391 -8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 39 150.704 9.129 -7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 39 152.225 9.105 -8.554 1.00 0.00 H new ATOM 0 HD13 LEU A 39 152.225 8.677 -6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 39 150.281 10.884 -5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 39 151.794 10.524 -5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 39 151.473 12.175 -5.687 1.00 0.00 H new ATOM 611 N GLN A 40 156.646 10.700 -7.116 1.00 0.00 N ATOM 612 CA GLN A 40 157.977 11.296 -7.117 1.00 0.00 C ATOM 613 C GLN A 40 159.061 10.263 -6.823 1.00 0.00 C ATOM 614 O GLN A 40 159.230 9.825 -5.685 1.00 0.00 O ATOM 615 CB GLN A 40 158.050 12.433 -6.095 1.00 0.00 C ATOM 616 CG GLN A 40 157.495 12.066 -4.728 1.00 0.00 C ATOM 617 CD GLN A 40 157.744 13.144 -3.687 1.00 0.00 C ATOM 618 OE1 GLN A 40 158.798 13.174 -3.052 1.00 0.00 O ATOM 619 NE2 GLN A 40 156.774 14.036 -3.503 1.00 0.00 N ATOM 0 H GLN A 40 156.431 10.143 -6.289 1.00 0.00 H new ATOM 0 HA GLN A 40 158.156 11.694 -8.116 1.00 0.00 H new ATOM 0 HB2 GLN A 40 159.089 12.743 -5.984 1.00 0.00 H new ATOM 0 HB3 GLN A 40 157.501 13.292 -6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 40 156.423 11.888 -4.811 1.00 0.00 H new ATOM 0 HG3 GLN A 40 157.949 11.133 -4.395 1.00 0.00 H new ATOM 0 HE21 GLN A 40 155.915 13.976 -4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 40 156.889 14.780 -2.815 1.00 0.00 H new ATOM 628 N PHE A 41 159.802 9.896 -7.862 1.00 0.00 N ATOM 629 CA PHE A 41 160.891 8.933 -7.739 1.00 0.00 C ATOM 630 C PHE A 41 161.782 8.984 -8.975 1.00 0.00 C ATOM 631 O PHE A 41 163.008 9.018 -8.873 1.00 0.00 O ATOM 632 CB PHE A 41 160.352 7.517 -7.539 1.00 0.00 C ATOM 633 CG PHE A 41 161.392 6.555 -7.039 1.00 0.00 C ATOM 634 CD1 PHE A 41 161.748 6.535 -5.700 1.00 0.00 C ATOM 635 CD2 PHE A 41 162.018 5.676 -7.909 1.00 0.00 C ATOM 636 CE1 PHE A 41 162.709 5.656 -5.237 1.00 0.00 C ATOM 637 CE2 PHE A 41 162.979 4.794 -7.451 1.00 0.00 C ATOM 638 CZ PHE A 41 163.325 4.784 -6.114 1.00 0.00 C ATOM 0 H PHE A 41 159.667 10.254 -8.807 1.00 0.00 H new ATOM 0 HA PHE A 41 161.481 9.200 -6.863 1.00 0.00 H new ATOM 0 HB2 PHE A 41 159.523 7.547 -6.832 1.00 0.00 H new ATOM 0 HB3 PHE A 41 159.951 7.150 -8.484 1.00 0.00 H new ATOM 0 HD1 PHE A 41 161.269 7.214 -5.010 1.00 0.00 H new ATOM 0 HD2 PHE A 41 161.752 5.680 -8.956 1.00 0.00 H new ATOM 0 HE1 PHE A 41 162.978 5.651 -4.191 1.00 0.00 H new ATOM 0 HE2 PHE A 41 163.459 4.113 -8.138 1.00 0.00 H new ATOM 0 HZ PHE A 41 164.076 4.096 -5.755 1.00 0.00 H new ATOM 648 N GLU A 42 161.158 9.007 -10.146 1.00 0.00 N ATOM 649 CA GLU A 42 161.892 9.077 -11.402 1.00 0.00 C ATOM 650 C GLU A 42 162.626 10.409 -11.506 1.00 0.00 C ATOM 651 O GLU A 42 163.700 10.502 -12.099 1.00 0.00 O ATOM 652 CB GLU A 42 160.926 8.925 -12.577 1.00 0.00 C ATOM 653 CG GLU A 42 161.566 9.170 -13.933 1.00 0.00 C ATOM 654 CD GLU A 42 162.578 8.103 -14.302 1.00 0.00 C ATOM 655 OE1 GLU A 42 162.156 6.999 -14.705 1.00 0.00 O ATOM 656 OE2 GLU A 42 163.792 8.372 -14.187 1.00 0.00 O ATOM 0 H GLU A 42 160.144 8.978 -10.252 1.00 0.00 H new ATOM 0 HA GLU A 42 162.621 8.267 -11.430 1.00 0.00 H new ATOM 0 HB2 GLU A 42 160.504 7.920 -12.561 1.00 0.00 H new ATOM 0 HB3 GLU A 42 160.097 9.620 -12.446 1.00 0.00 H new ATOM 0 HG2 GLU A 42 160.789 9.207 -14.696 1.00 0.00 H new ATOM 0 HG3 GLU A 42 162.056 10.144 -13.929 1.00 0.00 H new ATOM 663 N GLU A 43 162.027 11.434 -10.914 1.00 0.00 N ATOM 664 CA GLU A 43 162.603 12.773 -10.917 1.00 0.00 C ATOM 665 C GLU A 43 163.030 13.192 -9.510 1.00 0.00 C ATOM 666 O GLU A 43 163.881 14.066 -9.347 1.00 0.00 O ATOM 667 CB GLU A 43 161.597 13.780 -11.481 1.00 0.00 C ATOM 668 CG GLU A 43 162.204 14.747 -12.484 1.00 0.00 C ATOM 669 CD GLU A 43 161.284 15.020 -13.659 1.00 0.00 C ATOM 670 OE1 GLU A 43 161.146 14.129 -14.524 1.00 0.00 O ATOM 671 OE2 GLU A 43 160.703 16.124 -13.714 1.00 0.00 O ATOM 0 H GLU A 43 161.136 11.363 -10.422 1.00 0.00 H new ATOM 0 HA GLU A 43 163.489 12.758 -11.552 1.00 0.00 H new ATOM 0 HB2 GLU A 43 160.781 13.238 -11.959 1.00 0.00 H new ATOM 0 HB3 GLU A 43 161.163 14.348 -10.658 1.00 0.00 H new ATOM 0 HG2 GLU A 43 162.436 15.687 -11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 43 163.146 14.340 -12.851 1.00 0.00 H new ATOM 678 N ARG A 44 162.433 12.568 -8.496 1.00 0.00 N ATOM 679 CA ARG A 44 162.754 12.884 -7.110 1.00 0.00 C ATOM 680 C ARG A 44 163.042 11.616 -6.313 1.00 0.00 C ATOM 681 O ARG A 44 162.767 11.552 -5.118 1.00 0.00 O ATOM 682 CB ARG A 44 161.603 13.661 -6.467 1.00 0.00 C ATOM 683 CG ARG A 44 161.954 15.106 -6.150 1.00 0.00 C ATOM 684 CD ARG A 44 161.138 16.084 -6.983 1.00 0.00 C ATOM 685 NE ARG A 44 161.974 16.844 -7.909 1.00 0.00 N ATOM 686 CZ ARG A 44 161.607 17.994 -8.469 1.00 0.00 C ATOM 687 NH1 ARG A 44 160.418 18.520 -8.202 1.00 0.00 N ATOM 688 NH2 ARG A 44 162.430 18.620 -9.299 1.00 0.00 N ATOM 0 H ARG A 44 161.726 11.842 -8.610 1.00 0.00 H new ATOM 0 HA ARG A 44 163.651 13.503 -7.101 1.00 0.00 H new ATOM 0 HB2 ARG A 44 160.743 13.642 -7.136 1.00 0.00 H new ATOM 0 HB3 ARG A 44 161.303 13.158 -5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 44 161.780 15.298 -5.091 1.00 0.00 H new ATOM 0 HG3 ARG A 44 163.016 15.270 -6.334 1.00 0.00 H new ATOM 0 HD2 ARG A 44 160.380 15.538 -7.544 1.00 0.00 H new ATOM 0 HD3 ARG A 44 160.611 16.772 -6.322 1.00 0.00 H new ATOM 0 HE ARG A 44 162.895 16.471 -8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 44 159.781 18.042 -7.565 1.00 0.00 H new ATOM 0 HH12 ARG A 44 160.142 19.402 -8.634 1.00 0.00 H new ATOM 0 HH21 ARG A 44 163.345 18.220 -9.508 1.00 0.00 H new ATOM 0 HH22 ARG A 44 162.148 19.501 -9.728 1.00 0.00 H new ATOM 702 N GLY A 45 163.600 10.610 -6.982 1.00 0.00 N ATOM 703 CA GLY A 45 163.914 9.358 -6.314 1.00 0.00 C ATOM 704 C GLY A 45 165.390 9.019 -6.367 1.00 0.00 C ATOM 705 O GLY A 45 165.938 8.759 -7.439 1.00 0.00 O ATOM 0 H GLY A 45 163.840 10.639 -7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 45 163.597 9.417 -5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 45 163.344 8.552 -6.776 1.00 0.00 H new ATOM 709 N GLY A 46 166.034 9.015 -5.205 1.00 0.00 N ATOM 710 CA GLY A 46 167.448 8.697 -5.136 1.00 0.00 C ATOM 711 C GLY A 46 167.749 7.664 -4.069 1.00 0.00 C ATOM 712 O GLY A 46 166.906 7.384 -3.217 1.00 0.00 O ATOM 0 H GLY A 46 165.600 9.227 -4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 46 167.783 8.325 -6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 46 168.014 9.606 -4.930 1.00 0.00 H new ATOM 716 N VAL A 47 168.948 7.092 -4.111 1.00 0.00 N ATOM 717 CA VAL A 47 169.349 6.084 -3.138 1.00 0.00 C ATOM 718 C VAL A 47 170.841 6.193 -2.837 1.00 0.00 C ATOM 719 O VAL A 47 171.672 6.109 -3.741 1.00 0.00 O ATOM 720 CB VAL A 47 169.030 4.664 -3.647 1.00 0.00 C ATOM 721 CG1 VAL A 47 169.386 3.616 -2.602 1.00 0.00 C ATOM 722 CG2 VAL A 47 167.563 4.559 -4.038 1.00 0.00 C ATOM 0 H VAL A 47 169.659 7.310 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 47 168.783 6.264 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 47 169.639 4.474 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 47 169.151 2.624 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 47 170.451 3.675 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 47 168.812 3.798 -1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 47 167.353 3.551 -4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 47 166.939 4.774 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 47 167.345 5.277 -4.829 1.00 0.00 H new ATOM 732 N GLU A 48 171.175 6.389 -1.565 1.00 0.00 N ATOM 733 CA GLU A 48 172.570 6.520 -1.155 1.00 0.00 C ATOM 734 C GLU A 48 173.019 5.323 -0.324 1.00 0.00 C ATOM 735 O GLU A 48 172.197 4.554 0.174 1.00 0.00 O ATOM 736 CB GLU A 48 172.767 7.811 -0.357 1.00 0.00 C ATOM 737 CG GLU A 48 174.222 8.233 -0.228 1.00 0.00 C ATOM 738 CD GLU A 48 174.928 8.310 -1.568 1.00 0.00 C ATOM 739 OE1 GLU A 48 175.320 7.248 -2.095 1.00 0.00 O ATOM 740 OE2 GLU A 48 175.089 9.433 -2.091 1.00 0.00 O ATOM 0 H GLU A 48 170.502 6.460 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 48 173.181 6.556 -2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 48 172.206 8.613 -0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 48 172.346 7.679 0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 48 174.272 9.206 0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 48 174.746 7.525 0.414 1.00 0.00 H new ATOM 747 N PHE A 49 174.333 5.176 -0.179 1.00 0.00 N ATOM 748 CA PHE A 49 174.902 4.076 0.591 1.00 0.00 C ATOM 749 C PHE A 49 175.455 4.573 1.923 1.00 0.00 C ATOM 750 O PHE A 49 176.485 5.246 1.968 1.00 0.00 O ATOM 751 CB PHE A 49 176.009 3.387 -0.209 1.00 0.00 C ATOM 752 CG PHE A 49 176.575 2.174 0.471 1.00 0.00 C ATOM 753 CD1 PHE A 49 177.411 2.304 1.568 1.00 0.00 C ATOM 754 CD2 PHE A 49 176.270 0.902 0.013 1.00 0.00 C ATOM 755 CE1 PHE A 49 177.933 1.189 2.196 1.00 0.00 C ATOM 756 CE2 PHE A 49 176.789 -0.217 0.636 1.00 0.00 C ATOM 757 CZ PHE A 49 177.621 -0.073 1.729 1.00 0.00 C ATOM 0 H PHE A 49 175.024 5.806 -0.586 1.00 0.00 H new ATOM 0 HA PHE A 49 174.108 3.357 0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 49 175.615 3.097 -1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.813 4.100 -0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 49 177.658 3.289 1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 49 175.619 0.784 -0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 49 178.584 1.304 3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 49 176.544 -1.203 0.269 1.00 0.00 H new ATOM 0 HZ PHE A 49 178.027 -0.946 2.218 1.00 0.00 H new ATOM 767 N VAL A 50 174.763 4.236 3.007 1.00 0.00 N ATOM 768 CA VAL A 50 175.182 4.646 4.342 1.00 0.00 C ATOM 769 C VAL A 50 175.822 3.485 5.099 1.00 0.00 C ATOM 770 O VAL A 50 175.954 2.380 4.568 1.00 0.00 O ATOM 771 CB VAL A 50 173.994 5.188 5.164 1.00 0.00 C ATOM 772 CG1 VAL A 50 173.654 6.609 4.743 1.00 0.00 C ATOM 773 CG2 VAL A 50 172.782 4.281 5.020 1.00 0.00 C ATOM 0 H VAL A 50 173.909 3.679 2.986 1.00 0.00 H new ATOM 0 HA VAL A 50 175.917 5.441 4.212 1.00 0.00 H new ATOM 0 HB VAL A 50 174.285 5.203 6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 50 172.814 6.973 5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 50 174.518 7.253 4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 50 173.386 6.621 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 50 171.956 4.682 5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 50 172.489 4.228 3.971 1.00 0.00 H new ATOM 0 HG23 VAL A 50 173.031 3.282 5.378 1.00 0.00 H new ATOM 783 N GLU A 51 176.219 3.744 6.342 1.00 0.00 N ATOM 784 CA GLU A 51 176.845 2.723 7.175 1.00 0.00 C ATOM 785 C GLU A 51 175.835 2.113 8.144 1.00 0.00 C ATOM 786 O GLU A 51 174.647 2.432 8.100 1.00 0.00 O ATOM 787 CB GLU A 51 178.019 3.323 7.952 1.00 0.00 C ATOM 788 CG GLU A 51 179.303 3.409 7.143 1.00 0.00 C ATOM 789 CD GLU A 51 180.070 4.692 7.400 1.00 0.00 C ATOM 790 OE1 GLU A 51 180.845 4.734 8.378 1.00 0.00 O ATOM 791 OE2 GLU A 51 179.893 5.654 6.624 1.00 0.00 O ATOM 0 H GLU A 51 176.118 4.653 6.794 1.00 0.00 H new ATOM 0 HA GLU A 51 177.215 1.932 6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 51 177.746 4.322 8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 51 178.200 2.721 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 51 179.938 2.556 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 51 179.065 3.339 6.082 1.00 0.00 H new ATOM 798 N THR A 52 176.316 1.232 9.017 1.00 0.00 N ATOM 799 CA THR A 52 175.457 0.573 9.996 1.00 0.00 C ATOM 800 C THR A 52 175.405 1.366 11.300 1.00 0.00 C ATOM 801 O THR A 52 176.261 2.213 11.559 1.00 0.00 O ATOM 802 CB THR A 52 175.963 -0.848 10.264 1.00 0.00 C ATOM 803 OG1 THR A 52 175.912 -1.627 9.083 1.00 0.00 O ATOM 804 CG2 THR A 52 175.176 -1.583 11.330 1.00 0.00 C ATOM 0 H THR A 52 177.297 0.958 9.066 1.00 0.00 H new ATOM 0 HA THR A 52 174.448 0.524 9.587 1.00 0.00 H new ATOM 0 HB THR A 52 176.987 -0.723 10.617 1.00 0.00 H new ATOM 0 HG1 THR A 52 176.240 -2.531 9.273 1.00 0.00 H new ATOM 0 HG21 THR A 52 175.591 -2.582 11.465 1.00 0.00 H new ATOM 0 HG22 THR A 52 175.236 -1.034 12.270 1.00 0.00 H new ATOM 0 HG23 THR A 52 174.133 -1.662 11.023 1.00 0.00 H new ATOM 812 N ALA A 53 174.398 1.080 12.121 1.00 0.00 N ATOM 813 CA ALA A 53 174.236 1.758 13.402 1.00 0.00 C ATOM 814 C ALA A 53 175.128 1.124 14.463 1.00 0.00 C ATOM 815 O ALA A 53 176.091 0.428 14.141 1.00 0.00 O ATOM 816 CB ALA A 53 172.777 1.714 13.842 1.00 0.00 C ATOM 0 H ALA A 53 173.681 0.382 11.921 1.00 0.00 H new ATOM 0 HA ALA A 53 174.534 2.799 13.280 1.00 0.00 H new ATOM 0 HB1 ALA A 53 172.670 2.224 14.800 1.00 0.00 H new ATOM 0 HB2 ALA A 53 172.157 2.210 13.096 1.00 0.00 H new ATOM 0 HB3 ALA A 53 172.459 0.676 13.946 1.00 0.00 H new ATOM 822 N ASP A 54 174.795 1.354 15.728 1.00 0.00 N ATOM 823 CA ASP A 54 175.561 0.790 16.828 1.00 0.00 C ATOM 824 C ASP A 54 175.006 -0.579 17.198 1.00 0.00 C ATOM 825 O ASP A 54 175.759 -1.533 17.392 1.00 0.00 O ATOM 826 CB ASP A 54 175.520 1.721 18.041 1.00 0.00 C ATOM 827 CG ASP A 54 176.674 2.704 18.055 1.00 0.00 C ATOM 828 OD1 ASP A 54 176.888 3.382 17.028 1.00 0.00 O ATOM 829 OD2 ASP A 54 177.363 2.796 19.092 1.00 0.00 O ATOM 0 H ASP A 54 174.001 1.926 16.015 1.00 0.00 H new ATOM 0 HA ASP A 54 176.598 0.680 16.512 1.00 0.00 H new ATOM 0 HB2 ASP A 54 174.579 2.270 18.042 1.00 0.00 H new ATOM 0 HB3 ASP A 54 175.543 1.125 18.954 1.00 0.00 H new ATOM 834 N ASP A 55 173.683 -0.667 17.297 1.00 0.00 N ATOM 835 CA ASP A 55 173.021 -1.919 17.646 1.00 0.00 C ATOM 836 C ASP A 55 171.509 -1.780 17.489 1.00 0.00 C ATOM 837 O ASP A 55 170.903 -0.854 18.028 1.00 0.00 O ATOM 838 CB ASP A 55 173.366 -2.322 19.081 1.00 0.00 C ATOM 839 CG ASP A 55 173.615 -3.811 19.220 1.00 0.00 C ATOM 840 OD1 ASP A 55 172.693 -4.597 18.917 1.00 0.00 O ATOM 841 OD2 ASP A 55 174.732 -4.190 19.630 1.00 0.00 O ATOM 0 H ASP A 55 173.048 0.115 17.140 1.00 0.00 H new ATOM 0 HA ASP A 55 173.374 -2.698 16.970 1.00 0.00 H new ATOM 0 HB2 ASP A 55 174.252 -1.777 19.405 1.00 0.00 H new ATOM 0 HB3 ASP A 55 172.551 -2.029 19.743 1.00 0.00 H new ATOM 846 N TRP A 56 170.906 -2.698 16.740 1.00 0.00 N ATOM 847 CA TRP A 56 169.465 -2.665 16.507 1.00 0.00 C ATOM 848 C TRP A 56 168.703 -3.404 17.604 1.00 0.00 C ATOM 849 O TRP A 56 168.098 -2.781 18.476 1.00 0.00 O ATOM 850 CB TRP A 56 169.131 -3.278 15.147 1.00 0.00 C ATOM 851 CG TRP A 56 169.581 -2.445 13.986 1.00 0.00 C ATOM 852 CD1 TRP A 56 170.666 -1.616 13.933 1.00 0.00 C ATOM 853 CD2 TRP A 56 168.948 -2.359 12.707 1.00 0.00 C ATOM 854 NE1 TRP A 56 170.745 -1.026 12.695 1.00 0.00 N ATOM 855 CE2 TRP A 56 169.699 -1.466 11.926 1.00 0.00 C ATOM 856 CE3 TRP A 56 167.817 -2.955 12.148 1.00 0.00 C ATOM 857 CZ2 TRP A 56 169.354 -1.156 10.616 1.00 0.00 C ATOM 858 CZ3 TRP A 56 167.473 -2.647 10.849 1.00 0.00 C ATOM 859 CH2 TRP A 56 168.238 -1.755 10.093 1.00 0.00 C ATOM 0 H TRP A 56 171.390 -3.472 16.285 1.00 0.00 H new ATOM 0 HA TRP A 56 169.155 -1.620 16.520 1.00 0.00 H new ATOM 0 HB2 TRP A 56 169.594 -4.262 15.078 1.00 0.00 H new ATOM 0 HB3 TRP A 56 168.053 -3.427 15.080 1.00 0.00 H new ATOM 0 HD1 TRP A 56 171.359 -1.449 14.744 1.00 0.00 H new ATOM 0 HE1 TRP A 56 171.465 -0.368 12.397 1.00 0.00 H new ATOM 0 HE3 TRP A 56 167.220 -3.647 12.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 169.945 -0.467 10.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 166.598 -3.102 10.409 1.00 0.00 H new ATOM 0 HH2 TRP A 56 167.944 -1.534 9.078 1.00 0.00 H new ATOM 870 N GLU A 57 168.735 -4.736 17.551 1.00 0.00 N ATOM 871 CA GLU A 57 168.044 -5.566 18.536 1.00 0.00 C ATOM 872 C GLU A 57 166.645 -5.031 18.831 1.00 0.00 C ATOM 873 O GLU A 57 166.141 -5.169 19.946 1.00 0.00 O ATOM 874 CB GLU A 57 168.857 -5.639 19.827 1.00 0.00 C ATOM 875 CG GLU A 57 170.192 -6.342 19.658 1.00 0.00 C ATOM 876 CD GLU A 57 170.308 -7.593 20.508 1.00 0.00 C ATOM 877 OE1 GLU A 57 169.699 -8.619 20.141 1.00 0.00 O ATOM 878 OE2 GLU A 57 171.008 -7.545 21.542 1.00 0.00 O ATOM 0 H GLU A 57 169.234 -5.263 16.834 1.00 0.00 H new ATOM 0 HA GLU A 57 167.942 -6.567 18.117 1.00 0.00 H new ATOM 0 HB2 GLU A 57 169.031 -4.628 20.196 1.00 0.00 H new ATOM 0 HB3 GLU A 57 168.274 -6.160 20.586 1.00 0.00 H new ATOM 0 HG2 GLU A 57 170.328 -6.607 18.609 1.00 0.00 H new ATOM 0 HG3 GLU A 57 170.996 -5.654 19.920 1.00 0.00 H new ATOM 885 N GLU A 58 166.025 -4.412 17.830 1.00 0.00 N ATOM 886 CA GLU A 58 164.690 -3.850 17.997 1.00 0.00 C ATOM 887 C GLU A 58 163.947 -3.743 16.666 1.00 0.00 C ATOM 888 O GLU A 58 162.737 -3.964 16.606 1.00 0.00 O ATOM 889 CB GLU A 58 164.787 -2.471 18.648 1.00 0.00 C ATOM 890 CG GLU A 58 164.538 -2.487 20.148 1.00 0.00 C ATOM 891 CD GLU A 58 164.589 -1.102 20.762 1.00 0.00 C ATOM 892 OE1 GLU A 58 164.332 -0.120 20.034 1.00 0.00 O ATOM 893 OE2 GLU A 58 164.885 -0.999 21.971 1.00 0.00 O ATOM 0 H GLU A 58 166.424 -4.288 16.900 1.00 0.00 H new ATOM 0 HA GLU A 58 164.124 -4.524 18.640 1.00 0.00 H new ATOM 0 HB2 GLU A 58 165.777 -2.057 18.457 1.00 0.00 H new ATOM 0 HB3 GLU A 58 164.066 -1.804 18.176 1.00 0.00 H new ATOM 0 HG2 GLU A 58 163.563 -2.933 20.346 1.00 0.00 H new ATOM 0 HG3 GLU A 58 165.282 -3.121 20.629 1.00 0.00 H new ATOM 900 N GLU A 59 164.666 -3.393 15.602 1.00 0.00 N ATOM 901 CA GLU A 59 164.056 -3.248 14.285 1.00 0.00 C ATOM 902 C GLU A 59 163.906 -4.593 13.578 1.00 0.00 C ATOM 903 O GLU A 59 162.799 -5.121 13.467 1.00 0.00 O ATOM 904 CB GLU A 59 164.889 -2.299 13.425 1.00 0.00 C ATOM 905 CG GLU A 59 164.696 -0.835 13.776 1.00 0.00 C ATOM 906 CD GLU A 59 163.239 -0.416 13.758 1.00 0.00 C ATOM 907 OE1 GLU A 59 162.712 -0.148 12.657 1.00 0.00 O ATOM 908 OE2 GLU A 59 162.624 -0.356 14.844 1.00 0.00 O ATOM 0 H GLU A 59 165.668 -3.205 15.627 1.00 0.00 H new ATOM 0 HA GLU A 59 163.058 -2.834 14.427 1.00 0.00 H new ATOM 0 HB2 GLU A 59 165.943 -2.554 13.533 1.00 0.00 H new ATOM 0 HB3 GLU A 59 164.631 -2.450 12.377 1.00 0.00 H new ATOM 0 HG2 GLU A 59 165.112 -0.645 14.765 1.00 0.00 H new ATOM 0 HG3 GLU A 59 165.255 -0.220 13.071 1.00 0.00 H new ATOM 915 N ILE A 60 165.017 -5.144 13.090 1.00 0.00 N ATOM 916 CA ILE A 60 164.989 -6.423 12.386 1.00 0.00 C ATOM 917 C ILE A 60 164.986 -7.601 13.357 1.00 0.00 C ATOM 918 O ILE A 60 164.201 -8.536 13.206 1.00 0.00 O ATOM 919 CB ILE A 60 166.187 -6.568 11.420 1.00 0.00 C ATOM 920 CG1 ILE A 60 167.517 -6.441 12.174 1.00 0.00 C ATOM 921 CG2 ILE A 60 166.096 -5.534 10.303 1.00 0.00 C ATOM 922 CD1 ILE A 60 168.733 -6.488 11.270 1.00 0.00 C ATOM 0 H ILE A 60 165.944 -4.726 13.169 1.00 0.00 H new ATOM 0 HA ILE A 60 164.064 -6.435 11.810 1.00 0.00 H new ATOM 0 HB ILE A 60 166.150 -7.562 10.974 1.00 0.00 H new ATOM 0 HG12 ILE A 60 167.523 -5.503 12.728 1.00 0.00 H new ATOM 0 HG13 ILE A 60 167.588 -7.245 12.907 1.00 0.00 H new ATOM 0 HG21 ILE A 60 166.946 -5.649 9.631 1.00 0.00 H new ATOM 0 HG22 ILE A 60 165.171 -5.681 9.746 1.00 0.00 H new ATOM 0 HG23 ILE A 60 166.106 -4.532 10.733 1.00 0.00 H new ATOM 0 HD11 ILE A 60 169.637 -6.393 11.871 1.00 0.00 H new ATOM 0 HD12 ILE A 60 168.752 -7.437 10.734 1.00 0.00 H new ATOM 0 HD13 ILE A 60 168.686 -5.668 10.553 1.00 0.00 H new ATOM 934 N GLY A 61 165.869 -7.554 14.350 1.00 0.00 N ATOM 935 CA GLY A 61 165.947 -8.629 15.323 1.00 0.00 C ATOM 936 C GLY A 61 167.308 -9.301 15.342 1.00 0.00 C ATOM 937 O GLY A 61 167.442 -10.456 14.941 1.00 0.00 O ATOM 0 H GLY A 61 166.531 -6.792 14.498 1.00 0.00 H new ATOM 0 HA2 GLY A 61 165.727 -8.233 16.315 1.00 0.00 H new ATOM 0 HA3 GLY A 61 165.182 -9.372 15.100 1.00 0.00 H new ATOM 941 N VAL A 62 168.313 -8.573 15.820 1.00 0.00 N ATOM 942 CA VAL A 62 169.676 -9.093 15.908 1.00 0.00 C ATOM 943 C VAL A 62 170.637 -8.007 16.390 1.00 0.00 C ATOM 944 O VAL A 62 170.401 -6.821 16.166 1.00 0.00 O ATOM 945 CB VAL A 62 170.166 -9.642 14.549 1.00 0.00 C ATOM 946 CG1 VAL A 62 170.283 -8.525 13.522 1.00 0.00 C ATOM 947 CG2 VAL A 62 171.492 -10.371 14.710 1.00 0.00 C ATOM 0 H VAL A 62 168.209 -7.615 16.155 1.00 0.00 H new ATOM 0 HA VAL A 62 169.661 -9.912 16.627 1.00 0.00 H new ATOM 0 HB VAL A 62 169.427 -10.356 14.186 1.00 0.00 H new ATOM 0 HG11 VAL A 62 170.630 -8.937 12.574 1.00 0.00 H new ATOM 0 HG12 VAL A 62 169.308 -8.058 13.380 1.00 0.00 H new ATOM 0 HG13 VAL A 62 170.995 -7.779 13.875 1.00 0.00 H new ATOM 0 HG21 VAL A 62 171.819 -10.750 13.742 1.00 0.00 H new ATOM 0 HG22 VAL A 62 172.241 -9.682 15.102 1.00 0.00 H new ATOM 0 HG23 VAL A 62 171.368 -11.204 15.402 1.00 0.00 H new ATOM 957 N LEU A 63 171.711 -8.414 17.067 1.00 0.00 N ATOM 958 CA LEU A 63 172.691 -7.461 17.592 1.00 0.00 C ATOM 959 C LEU A 63 173.419 -6.707 16.487 1.00 0.00 C ATOM 960 O LEU A 63 174.185 -5.780 16.749 1.00 0.00 O ATOM 961 CB LEU A 63 173.697 -8.171 18.499 1.00 0.00 C ATOM 962 CG LEU A 63 174.526 -7.248 19.396 1.00 0.00 C ATOM 963 CD1 LEU A 63 174.697 -7.858 20.778 1.00 0.00 C ATOM 964 CD2 LEU A 63 175.882 -6.970 18.764 1.00 0.00 C ATOM 0 H LEU A 63 171.925 -9.392 17.264 1.00 0.00 H new ATOM 0 HA LEU A 63 172.137 -6.725 18.175 1.00 0.00 H new ATOM 0 HB2 LEU A 63 173.158 -8.878 19.130 1.00 0.00 H new ATOM 0 HB3 LEU A 63 174.376 -8.753 17.876 1.00 0.00 H new ATOM 0 HG LEU A 63 173.994 -6.303 19.502 1.00 0.00 H new ATOM 0 HD11 LEU A 63 175.289 -7.187 21.401 1.00 0.00 H new ATOM 0 HD12 LEU A 63 173.718 -8.007 21.234 1.00 0.00 H new ATOM 0 HD13 LEU A 63 175.207 -8.818 20.692 1.00 0.00 H new ATOM 0 HD21 LEU A 63 176.459 -6.312 19.414 1.00 0.00 H new ATOM 0 HD22 LEU A 63 176.419 -7.909 18.628 1.00 0.00 H new ATOM 0 HD23 LEU A 63 175.741 -6.490 17.796 1.00 0.00 H new ATOM 976 N ILE A 64 173.157 -7.102 15.261 1.00 0.00 N ATOM 977 CA ILE A 64 173.760 -6.471 14.092 1.00 0.00 C ATOM 978 C ILE A 64 175.282 -6.549 14.116 1.00 0.00 C ATOM 979 O ILE A 64 175.914 -6.348 15.153 1.00 0.00 O ATOM 980 CB ILE A 64 173.359 -4.988 13.977 1.00 0.00 C ATOM 981 CG1 ILE A 64 171.878 -4.801 14.308 1.00 0.00 C ATOM 982 CG2 ILE A 64 173.671 -4.460 12.585 1.00 0.00 C ATOM 983 CD1 ILE A 64 170.943 -5.355 13.255 1.00 0.00 C ATOM 0 H ILE A 64 172.522 -7.868 15.039 1.00 0.00 H new ATOM 0 HA ILE A 64 173.384 -7.026 13.232 1.00 0.00 H new ATOM 0 HB ILE A 64 173.942 -4.417 14.700 1.00 0.00 H new ATOM 0 HG12 ILE A 64 171.664 -5.285 15.261 1.00 0.00 H new ATOM 0 HG13 ILE A 64 171.675 -3.738 14.437 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.382 -3.411 12.520 1.00 0.00 H new ATOM 0 HG22 ILE A 64 174.739 -4.554 12.391 1.00 0.00 H new ATOM 0 HG23 ILE A 64 173.116 -5.036 11.845 1.00 0.00 H new ATOM 0 HD11 ILE A 64 169.910 -5.185 13.560 1.00 0.00 H new ATOM 0 HD12 ILE A 64 171.128 -4.854 12.305 1.00 0.00 H new ATOM 0 HD13 ILE A 64 171.116 -6.425 13.141 1.00 0.00 H new ATOM 995 N ASP A 65 175.860 -6.824 12.954 1.00 0.00 N ATOM 996 CA ASP A 65 177.307 -6.909 12.815 1.00 0.00 C ATOM 997 C ASP A 65 177.813 -5.765 11.941 1.00 0.00 C ATOM 998 O ASP A 65 178.026 -5.938 10.744 1.00 0.00 O ATOM 999 CB ASP A 65 177.708 -8.258 12.210 1.00 0.00 C ATOM 1000 CG ASP A 65 178.808 -8.941 12.999 1.00 0.00 C ATOM 1001 OD1 ASP A 65 179.465 -8.261 13.814 1.00 0.00 O ATOM 1002 OD2 ASP A 65 179.012 -10.158 12.802 1.00 0.00 O ATOM 0 H ASP A 65 175.345 -6.993 12.090 1.00 0.00 H new ATOM 0 HA ASP A 65 177.760 -6.827 13.803 1.00 0.00 H new ATOM 0 HB2 ASP A 65 176.835 -8.909 12.170 1.00 0.00 H new ATOM 0 HB3 ASP A 65 178.041 -8.108 11.183 1.00 0.00 H new ATOM 1007 N PRO A 66 178.004 -4.568 12.525 1.00 0.00 N ATOM 1008 CA PRO A 66 178.477 -3.408 11.774 1.00 0.00 C ATOM 1009 C PRO A 66 179.756 -3.712 11.010 1.00 0.00 C ATOM 1010 O PRO A 66 180.386 -4.748 11.220 1.00 0.00 O ATOM 1011 CB PRO A 66 178.728 -2.345 12.840 1.00 0.00 C ATOM 1012 CG PRO A 66 177.899 -2.758 14.010 1.00 0.00 C ATOM 1013 CD PRO A 66 177.774 -4.257 13.947 1.00 0.00 C ATOM 0 HA PRO A 66 177.754 -3.093 11.021 1.00 0.00 H new ATOM 0 HB2 PRO A 66 179.784 -2.295 13.104 1.00 0.00 H new ATOM 0 HB3 PRO A 66 178.441 -1.355 12.484 1.00 0.00 H new ATOM 0 HG2 PRO A 66 178.367 -2.448 14.944 1.00 0.00 H new ATOM 0 HG3 PRO A 66 176.917 -2.286 13.974 1.00 0.00 H new ATOM 0 HD2 PRO A 66 178.507 -4.747 14.588 1.00 0.00 H new ATOM 0 HD3 PRO A 66 176.790 -4.591 14.276 1.00 0.00 H new ATOM 1021 N GLU A 67 180.126 -2.811 10.112 1.00 0.00 N ATOM 1022 CA GLU A 67 181.324 -2.986 9.298 1.00 0.00 C ATOM 1023 C GLU A 67 181.277 -4.306 8.521 1.00 0.00 C ATOM 1024 O GLU A 67 182.284 -4.743 7.965 1.00 0.00 O ATOM 1025 CB GLU A 67 182.574 -2.943 10.178 1.00 0.00 C ATOM 1026 CG GLU A 67 182.976 -1.538 10.595 1.00 0.00 C ATOM 1027 CD GLU A 67 184.205 -1.040 9.860 1.00 0.00 C ATOM 1028 OE1 GLU A 67 185.330 -1.357 10.301 1.00 0.00 O ATOM 1029 OE2 GLU A 67 184.043 -0.332 8.844 1.00 0.00 O ATOM 0 H GLU A 67 179.614 -1.949 9.927 1.00 0.00 H new ATOM 0 HA GLU A 67 181.364 -2.167 8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 67 182.400 -3.542 11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 67 183.402 -3.405 9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 67 182.146 -0.857 10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 67 183.168 -1.522 11.668 1.00 0.00 H new ATOM 1036 N GLU A 68 180.103 -4.938 8.491 1.00 0.00 N ATOM 1037 CA GLU A 68 179.926 -6.203 7.792 1.00 0.00 C ATOM 1038 C GLU A 68 178.639 -6.206 6.962 1.00 0.00 C ATOM 1039 O GLU A 68 178.355 -7.171 6.252 1.00 0.00 O ATOM 1040 CB GLU A 68 179.895 -7.346 8.805 1.00 0.00 C ATOM 1041 CG GLU A 68 181.110 -7.373 9.715 1.00 0.00 C ATOM 1042 CD GLU A 68 180.883 -8.198 10.966 1.00 0.00 C ATOM 1043 OE1 GLU A 68 180.440 -9.359 10.840 1.00 0.00 O ATOM 1044 OE2 GLU A 68 181.150 -7.684 12.073 1.00 0.00 O ATOM 0 H GLU A 68 179.259 -4.589 8.946 1.00 0.00 H new ATOM 0 HA GLU A 68 180.765 -6.338 7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 68 178.995 -7.259 9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 68 179.828 -8.294 8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 68 181.961 -7.778 9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 68 181.369 -6.353 9.999 1.00 0.00 H new ATOM 1051 N TYR A 69 177.862 -5.125 7.052 1.00 0.00 N ATOM 1052 CA TYR A 69 176.614 -5.018 6.305 1.00 0.00 C ATOM 1053 C TYR A 69 176.517 -3.672 5.595 1.00 0.00 C ATOM 1054 O TYR A 69 176.930 -2.644 6.131 1.00 0.00 O ATOM 1055 CB TYR A 69 175.411 -5.195 7.236 1.00 0.00 C ATOM 1056 CG TYR A 69 175.249 -6.601 7.770 1.00 0.00 C ATOM 1057 CD1 TYR A 69 174.666 -7.598 6.997 1.00 0.00 C ATOM 1058 CD2 TYR A 69 175.678 -6.929 9.049 1.00 0.00 C ATOM 1059 CE1 TYR A 69 174.516 -8.882 7.486 1.00 0.00 C ATOM 1060 CE2 TYR A 69 175.531 -8.211 9.544 1.00 0.00 C ATOM 1061 CZ TYR A 69 174.950 -9.183 8.759 1.00 0.00 C ATOM 1062 OH TYR A 69 174.803 -10.461 9.248 1.00 0.00 O ATOM 0 H TYR A 69 178.077 -4.315 7.634 1.00 0.00 H new ATOM 0 HA TYR A 69 176.606 -5.811 5.557 1.00 0.00 H new ATOM 0 HB2 TYR A 69 175.510 -4.507 8.076 1.00 0.00 H new ATOM 0 HB3 TYR A 69 174.505 -4.914 6.699 1.00 0.00 H new ATOM 0 HD1 TYR A 69 174.325 -7.366 5.999 1.00 0.00 H new ATOM 0 HD2 TYR A 69 176.134 -6.170 9.667 1.00 0.00 H new ATOM 0 HE1 TYR A 69 174.061 -9.646 6.873 1.00 0.00 H new ATOM 0 HE2 TYR A 69 175.870 -8.450 10.541 1.00 0.00 H new ATOM 0 HH TYR A 69 175.161 -10.506 10.159 1.00 0.00 H new ATOM 1072 N ALA A 70 175.965 -3.688 4.387 1.00 0.00 N ATOM 1073 CA ALA A 70 175.807 -2.470 3.603 1.00 0.00 C ATOM 1074 C ALA A 70 174.455 -1.820 3.875 1.00 0.00 C ATOM 1075 O ALA A 70 173.410 -2.452 3.719 1.00 0.00 O ATOM 1076 CB ALA A 70 175.962 -2.772 2.121 1.00 0.00 C ATOM 0 H ALA A 70 175.619 -4.532 3.930 1.00 0.00 H new ATOM 0 HA ALA A 70 176.587 -1.769 3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 70 175.841 -1.853 1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 70 176.952 -3.188 1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 70 175.203 -3.492 1.815 1.00 0.00 H new ATOM 1082 N GLU A 71 174.480 -0.555 4.285 1.00 0.00 N ATOM 1083 CA GLU A 71 173.254 0.176 4.579 1.00 0.00 C ATOM 1084 C GLU A 71 172.865 1.067 3.406 1.00 0.00 C ATOM 1085 O GLU A 71 173.622 1.952 3.011 1.00 0.00 O ATOM 1086 CB GLU A 71 173.439 1.020 5.843 1.00 0.00 C ATOM 1087 CG GLU A 71 172.146 1.598 6.392 1.00 0.00 C ATOM 1088 CD GLU A 71 171.287 0.552 7.068 1.00 0.00 C ATOM 1089 OE1 GLU A 71 170.555 -0.165 6.355 1.00 0.00 O ATOM 1090 OE2 GLU A 71 171.344 0.450 8.311 1.00 0.00 O ATOM 0 H GLU A 71 175.335 -0.016 4.421 1.00 0.00 H new ATOM 0 HA GLU A 71 172.452 -0.544 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 71 173.907 0.406 6.613 1.00 0.00 H new ATOM 0 HB3 GLU A 71 174.127 1.837 5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 71 172.379 2.389 7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 71 171.583 2.057 5.580 1.00 0.00 H new ATOM 1097 N VAL A 72 171.682 0.828 2.851 1.00 0.00 N ATOM 1098 CA VAL A 72 171.201 1.612 1.721 1.00 0.00 C ATOM 1099 C VAL A 72 169.860 2.266 2.039 1.00 0.00 C ATOM 1100 O VAL A 72 168.970 1.643 2.616 1.00 0.00 O ATOM 1101 CB VAL A 72 171.079 0.744 0.445 1.00 0.00 C ATOM 1102 CG1 VAL A 72 169.955 1.231 -0.463 1.00 0.00 C ATOM 1103 CG2 VAL A 72 172.400 0.736 -0.305 1.00 0.00 C ATOM 0 H VAL A 72 171.040 0.100 3.165 1.00 0.00 H new ATOM 0 HA VAL A 72 171.935 2.396 1.534 1.00 0.00 H new ATOM 0 HB VAL A 72 170.834 -0.272 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 72 169.901 0.597 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 72 169.008 1.186 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 72 170.152 2.260 -0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 72 172.306 0.123 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 72 172.664 1.755 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 72 173.180 0.324 0.336 1.00 0.00 H new ATOM 1113 N TRP A 73 169.732 3.528 1.650 1.00 0.00 N ATOM 1114 CA TRP A 73 168.506 4.282 1.883 1.00 0.00 C ATOM 1115 C TRP A 73 167.841 4.646 0.560 1.00 0.00 C ATOM 1116 O TRP A 73 168.519 4.982 -0.411 1.00 0.00 O ATOM 1117 CB TRP A 73 168.808 5.548 2.693 1.00 0.00 C ATOM 1118 CG TRP A 73 168.507 5.405 4.156 1.00 0.00 C ATOM 1119 CD1 TRP A 73 168.060 4.284 4.794 1.00 0.00 C ATOM 1120 CD2 TRP A 73 168.634 6.415 5.167 1.00 0.00 C ATOM 1121 NE1 TRP A 73 167.885 4.540 6.130 1.00 0.00 N ATOM 1122 CE2 TRP A 73 168.236 5.833 6.385 1.00 0.00 C ATOM 1123 CE3 TRP A 73 169.042 7.751 5.164 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 168.232 6.534 7.584 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 169.040 8.451 6.358 1.00 0.00 C ATOM 1126 CH2 TRP A 73 168.637 7.841 7.554 1.00 0.00 C ATOM 0 H TRP A 73 170.464 4.052 1.171 1.00 0.00 H new ATOM 0 HA TRP A 73 167.819 3.657 2.453 1.00 0.00 H new ATOM 0 HB2 TRP A 73 169.860 5.807 2.570 1.00 0.00 H new ATOM 0 HB3 TRP A 73 168.226 6.376 2.289 1.00 0.00 H new ATOM 0 HD1 TRP A 73 167.872 3.334 4.316 1.00 0.00 H new ATOM 0 HE1 TRP A 73 167.547 3.871 6.822 1.00 0.00 H new ATOM 0 HE3 TRP A 73 169.353 8.229 4.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 167.921 6.065 8.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 169.354 9.484 6.368 1.00 0.00 H new ATOM 0 HH2 TRP A 73 168.646 8.414 8.470 1.00 0.00 H new ATOM 1137 N VAL A 74 166.512 4.576 0.525 1.00 0.00 N ATOM 1138 CA VAL A 74 165.765 4.897 -0.684 1.00 0.00 C ATOM 1139 C VAL A 74 164.641 5.886 -0.396 1.00 0.00 C ATOM 1140 O VAL A 74 163.601 5.521 0.156 1.00 0.00 O ATOM 1141 CB VAL A 74 165.162 3.637 -1.332 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.524 3.982 -2.670 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.223 2.558 -1.496 1.00 0.00 C ATOM 0 H VAL A 74 165.934 4.300 1.319 1.00 0.00 H new ATOM 0 HA VAL A 74 166.477 5.348 -1.375 1.00 0.00 H new ATOM 0 HB VAL A 74 164.385 3.247 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 74 164.102 3.081 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.733 4.716 -2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 74 165.280 4.397 -3.337 1.00 0.00 H new ATOM 0 HG21 VAL A 74 165.777 1.676 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 74 167.026 2.931 -2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 74 166.627 2.293 -0.519 1.00 0.00 H new ATOM 1153 N GLY A 75 164.866 7.139 -0.774 1.00 0.00 N ATOM 1154 CA GLY A 75 163.873 8.176 -0.558 1.00 0.00 C ATOM 1155 C GLY A 75 163.959 9.292 -1.583 1.00 0.00 C ATOM 1156 O GLY A 75 164.722 9.204 -2.546 1.00 0.00 O ATOM 0 H GLY A 75 165.722 7.457 -1.228 1.00 0.00 H new ATOM 0 HA2 GLY A 75 162.878 7.733 -0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 75 164.002 8.594 0.440 1.00 0.00 H new ATOM 1160 N LEU A 76 163.188 10.354 -1.363 1.00 0.00 N ATOM 1161 CA LEU A 76 163.195 11.510 -2.266 1.00 0.00 C ATOM 1162 C LEU A 76 164.014 12.643 -1.647 1.00 0.00 C ATOM 1163 O LEU A 76 164.129 12.728 -0.424 1.00 0.00 O ATOM 1164 CB LEU A 76 161.759 11.986 -2.587 1.00 0.00 C ATOM 1165 CG LEU A 76 160.732 10.888 -2.912 1.00 0.00 C ATOM 1166 CD1 LEU A 76 161.351 9.753 -3.721 1.00 0.00 C ATOM 1167 CD2 LEU A 76 160.095 10.352 -1.639 1.00 0.00 C ATOM 0 H LEU A 76 162.551 10.442 -0.571 1.00 0.00 H new ATOM 0 HA LEU A 76 163.655 11.208 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.390 12.558 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.807 12.671 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 76 159.955 11.342 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 76 160.592 8.999 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 76 161.740 10.146 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 76 162.164 9.302 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 76 159.372 9.577 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 76 160.867 9.931 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 76 159.589 11.163 -1.116 1.00 0.00 H new ATOM 1179 N VAL A 77 164.586 13.514 -2.482 1.00 0.00 N ATOM 1180 CA VAL A 77 165.387 14.627 -1.985 1.00 0.00 C ATOM 1181 C VAL A 77 165.309 15.818 -2.937 1.00 0.00 C ATOM 1182 O VAL A 77 164.473 15.847 -3.840 1.00 0.00 O ATOM 1183 CB VAL A 77 166.871 14.231 -1.793 1.00 0.00 C ATOM 1184 CG1 VAL A 77 167.419 14.832 -0.508 1.00 0.00 C ATOM 1185 CG2 VAL A 77 167.043 12.716 -1.793 1.00 0.00 C ATOM 0 H VAL A 77 164.508 13.468 -3.498 1.00 0.00 H new ATOM 0 HA VAL A 77 164.973 14.903 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 77 167.438 14.631 -2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 77 168.463 14.544 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 77 167.345 15.919 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 77 166.842 14.465 0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 77 168.096 12.469 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 77 166.460 12.284 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 77 166.696 12.310 -2.743 1.00 0.00 H new ATOM 1195 N ASN A 78 166.183 16.798 -2.731 1.00 0.00 N ATOM 1196 CA ASN A 78 166.209 17.989 -3.573 1.00 0.00 C ATOM 1197 C ASN A 78 167.373 17.933 -4.559 1.00 0.00 C ATOM 1198 O ASN A 78 168.028 16.901 -4.702 1.00 0.00 O ATOM 1199 CB ASN A 78 166.312 19.247 -2.708 1.00 0.00 C ATOM 1200 CG ASN A 78 165.225 19.313 -1.653 1.00 0.00 C ATOM 1201 OD1 ASN A 78 164.121 19.791 -1.912 1.00 0.00 O ATOM 1202 ND2 ASN A 78 165.534 18.831 -0.455 1.00 0.00 N ATOM 0 H ASN A 78 166.882 16.791 -1.989 1.00 0.00 H new ATOM 0 HA ASN A 78 165.280 18.024 -4.141 1.00 0.00 H new ATOM 0 HB2 ASN A 78 167.288 19.272 -2.223 1.00 0.00 H new ATOM 0 HB3 ASN A 78 166.250 20.129 -3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 78 164.843 18.848 0.295 1.00 0.00 H new ATOM 0 HD22 ASN A 78 166.462 18.444 -0.285 1.00 0.00 H new ATOM 1209 N GLU A 79 167.622 19.048 -5.239 1.00 0.00 N ATOM 1210 CA GLU A 79 168.704 19.125 -6.215 1.00 0.00 C ATOM 1211 C GLU A 79 170.058 19.326 -5.535 1.00 0.00 C ATOM 1212 O GLU A 79 171.104 19.172 -6.165 1.00 0.00 O ATOM 1213 CB GLU A 79 168.445 20.265 -7.202 1.00 0.00 C ATOM 1214 CG GLU A 79 167.273 20.008 -8.134 1.00 0.00 C ATOM 1215 CD GLU A 79 167.451 20.667 -9.488 1.00 0.00 C ATOM 1216 OE1 GLU A 79 168.316 20.208 -10.263 1.00 0.00 O ATOM 1217 OE2 GLU A 79 166.725 21.643 -9.773 1.00 0.00 O ATOM 0 H GLU A 79 167.089 19.911 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 79 168.733 18.178 -6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 79 168.260 21.183 -6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 79 169.343 20.430 -7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 79 167.150 18.934 -8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 79 166.358 20.377 -7.672 1.00 0.00 H new ATOM 1224 N GLN A 80 170.036 19.671 -4.250 1.00 0.00 N ATOM 1225 CA GLN A 80 171.269 19.892 -3.498 1.00 0.00 C ATOM 1226 C GLN A 80 171.970 18.573 -3.169 1.00 0.00 C ATOM 1227 O GLN A 80 173.073 18.570 -2.623 1.00 0.00 O ATOM 1228 CB GLN A 80 170.976 20.661 -2.208 1.00 0.00 C ATOM 1229 CG GLN A 80 169.806 20.102 -1.415 1.00 0.00 C ATOM 1230 CD GLN A 80 169.746 20.649 -0.002 1.00 0.00 C ATOM 1231 OE1 GLN A 80 170.406 20.138 0.903 1.00 0.00 O ATOM 1232 NE2 GLN A 80 168.951 21.694 0.195 1.00 0.00 N ATOM 0 H GLN A 80 169.181 19.803 -3.709 1.00 0.00 H new ATOM 0 HA GLN A 80 171.936 20.483 -4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 80 171.867 20.652 -1.580 1.00 0.00 H new ATOM 0 HB3 GLN A 80 170.771 21.703 -2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 80 168.876 20.338 -1.932 1.00 0.00 H new ATOM 0 HG3 GLN A 80 169.883 19.015 -1.377 1.00 0.00 H new ATOM 0 HE21 GLN A 80 168.422 22.086 -0.584 1.00 0.00 H new ATOM 0 HE22 GLN A 80 168.870 22.105 1.125 1.00 0.00 H new ATOM 1241 N ASP A 81 171.331 17.454 -3.505 1.00 0.00 N ATOM 1242 CA ASP A 81 171.903 16.137 -3.244 1.00 0.00 C ATOM 1243 C ASP A 81 172.021 15.879 -1.745 1.00 0.00 C ATOM 1244 O ASP A 81 173.047 16.171 -1.131 1.00 0.00 O ATOM 1245 CB ASP A 81 173.276 16.010 -3.908 1.00 0.00 C ATOM 1246 CG ASP A 81 173.410 14.736 -4.719 1.00 0.00 C ATOM 1247 OD1 ASP A 81 173.803 13.702 -4.140 1.00 0.00 O ATOM 1248 OD2 ASP A 81 173.120 14.772 -5.934 1.00 0.00 O ATOM 0 H ASP A 81 170.417 17.434 -3.958 1.00 0.00 H new ATOM 0 HA ASP A 81 171.233 15.389 -3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 81 173.444 16.870 -4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 81 174.051 16.033 -3.142 1.00 0.00 H new ATOM 1253 N GLU A 82 170.961 15.328 -1.165 1.00 0.00 N ATOM 1254 CA GLU A 82 170.935 15.024 0.260 1.00 0.00 C ATOM 1255 C GLU A 82 170.012 13.841 0.534 1.00 0.00 C ATOM 1256 O GLU A 82 169.584 13.153 -0.392 1.00 0.00 O ATOM 1257 CB GLU A 82 170.474 16.251 1.050 1.00 0.00 C ATOM 1258 CG GLU A 82 171.601 16.964 1.780 1.00 0.00 C ATOM 1259 CD GLU A 82 172.114 16.178 2.971 1.00 0.00 C ATOM 1260 OE1 GLU A 82 172.728 15.111 2.758 1.00 0.00 O ATOM 1261 OE2 GLU A 82 171.902 16.629 4.116 1.00 0.00 O ATOM 0 H GLU A 82 170.105 15.082 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 82 171.942 14.758 0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 82 169.993 16.952 0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 82 169.720 15.944 1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 82 172.422 17.143 1.086 1.00 0.00 H new ATOM 0 HG3 GLU A 82 171.251 17.940 2.117 1.00 0.00 H new ATOM 1268 N MET A 83 169.703 13.607 1.805 1.00 0.00 N ATOM 1269 CA MET A 83 168.824 12.505 2.178 1.00 0.00 C ATOM 1270 C MET A 83 168.230 12.714 3.566 1.00 0.00 C ATOM 1271 O MET A 83 168.815 12.312 4.572 1.00 0.00 O ATOM 1272 CB MET A 83 169.580 11.176 2.123 1.00 0.00 C ATOM 1273 CG MET A 83 168.833 10.090 1.364 1.00 0.00 C ATOM 1274 SD MET A 83 169.938 8.904 0.578 1.00 0.00 S ATOM 1275 CE MET A 83 168.959 8.423 -0.843 1.00 0.00 C ATOM 0 H MET A 83 170.046 14.162 2.589 1.00 0.00 H new ATOM 0 HA MET A 83 168.004 12.477 1.460 1.00 0.00 H new ATOM 0 HB2 MET A 83 170.550 11.337 1.652 1.00 0.00 H new ATOM 0 HB3 MET A 83 169.772 10.833 3.140 1.00 0.00 H new ATOM 0 HG2 MET A 83 168.170 9.563 2.051 1.00 0.00 H new ATOM 0 HG3 MET A 83 168.203 10.552 0.604 1.00 0.00 H new ATOM 0 HE1 MET A 83 168.559 7.421 -0.687 1.00 0.00 H new ATOM 0 HE2 MET A 83 168.136 9.126 -0.973 1.00 0.00 H new ATOM 0 HE3 MET A 83 169.585 8.429 -1.735 1.00 0.00 H new ATOM 1285 N ASP A 84 167.059 13.341 3.609 1.00 0.00 N ATOM 1286 CA ASP A 84 166.374 13.602 4.870 1.00 0.00 C ATOM 1287 C ASP A 84 165.012 12.907 4.912 1.00 0.00 C ATOM 1288 O ASP A 84 164.365 12.860 5.959 1.00 0.00 O ATOM 1289 CB ASP A 84 166.197 15.107 5.075 1.00 0.00 C ATOM 1290 CG ASP A 84 165.391 15.751 3.964 1.00 0.00 C ATOM 1291 OD1 ASP A 84 164.203 15.397 3.809 1.00 0.00 O ATOM 1292 OD2 ASP A 84 165.947 16.611 3.249 1.00 0.00 O ATOM 0 H ASP A 84 166.564 13.678 2.784 1.00 0.00 H new ATOM 0 HA ASP A 84 166.989 13.200 5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 84 165.702 15.285 6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 84 167.177 15.581 5.131 1.00 0.00 H new ATOM 1297 N ASP A 85 164.579 12.371 3.772 1.00 0.00 N ATOM 1298 CA ASP A 85 163.295 11.685 3.689 1.00 0.00 C ATOM 1299 C ASP A 85 163.453 10.306 3.056 1.00 0.00 C ATOM 1300 O ASP A 85 163.256 10.137 1.851 1.00 0.00 O ATOM 1301 CB ASP A 85 162.299 12.520 2.882 1.00 0.00 C ATOM 1302 CG ASP A 85 161.481 13.449 3.757 1.00 0.00 C ATOM 1303 OD1 ASP A 85 161.190 13.073 4.912 1.00 0.00 O ATOM 1304 OD2 ASP A 85 161.130 14.552 3.287 1.00 0.00 O ATOM 0 H ASP A 85 165.099 12.400 2.895 1.00 0.00 H new ATOM 0 HA ASP A 85 162.914 11.556 4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 85 162.839 13.107 2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 85 161.629 11.855 2.337 1.00 0.00 H new ATOM 1309 N VAL A 86 163.804 9.322 3.878 1.00 0.00 N ATOM 1310 CA VAL A 86 163.983 7.953 3.406 1.00 0.00 C ATOM 1311 C VAL A 86 162.672 7.177 3.493 1.00 0.00 C ATOM 1312 O VAL A 86 161.919 7.318 4.456 1.00 0.00 O ATOM 1313 CB VAL A 86 165.078 7.209 4.213 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.949 7.503 5.699 1.00 0.00 C ATOM 1315 CG2 VAL A 86 165.025 5.708 3.958 1.00 0.00 C ATOM 0 H VAL A 86 163.970 9.448 4.876 1.00 0.00 H new ATOM 0 HA VAL A 86 164.301 8.011 2.365 1.00 0.00 H new ATOM 0 HB VAL A 86 166.047 7.575 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.728 6.970 6.244 1.00 0.00 H new ATOM 0 HG12 VAL A 86 165.056 8.574 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.971 7.176 6.051 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.804 5.213 4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 86 164.050 5.322 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 86 165.182 5.513 2.897 1.00 0.00 H new ATOM 1325 N PHE A 87 162.410 6.352 2.484 1.00 0.00 N ATOM 1326 CA PHE A 87 161.193 5.551 2.455 1.00 0.00 C ATOM 1327 C PHE A 87 161.468 4.134 2.935 1.00 0.00 C ATOM 1328 O PHE A 87 160.593 3.479 3.501 1.00 0.00 O ATOM 1329 CB PHE A 87 160.601 5.515 1.042 1.00 0.00 C ATOM 1330 CG PHE A 87 159.568 6.577 0.778 1.00 0.00 C ATOM 1331 CD1 PHE A 87 158.792 7.089 1.807 1.00 0.00 C ATOM 1332 CD2 PHE A 87 159.374 7.060 -0.505 1.00 0.00 C ATOM 1333 CE1 PHE A 87 157.846 8.061 1.562 1.00 0.00 C ATOM 1334 CE2 PHE A 87 158.428 8.034 -0.757 1.00 0.00 C ATOM 1335 CZ PHE A 87 157.662 8.535 0.278 1.00 0.00 C ATOM 0 H PHE A 87 163.022 6.221 1.679 1.00 0.00 H new ATOM 0 HA PHE A 87 160.472 6.015 3.127 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.409 5.623 0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 87 160.151 4.537 0.874 1.00 0.00 H new ATOM 0 HD1 PHE A 87 158.931 6.721 2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 87 159.969 6.671 -1.318 1.00 0.00 H new ATOM 0 HE1 PHE A 87 157.249 8.451 2.373 1.00 0.00 H new ATOM 0 HE2 PHE A 87 158.287 8.404 -1.762 1.00 0.00 H new ATOM 0 HZ PHE A 87 156.921 9.296 0.083 1.00 0.00 H new ATOM 1345 N ALA A 88 162.690 3.667 2.712 1.00 0.00 N ATOM 1346 CA ALA A 88 163.079 2.329 3.130 1.00 0.00 C ATOM 1347 C ALA A 88 164.574 2.267 3.408 1.00 0.00 C ATOM 1348 O ALA A 88 165.316 3.181 3.051 1.00 0.00 O ATOM 1349 CB ALA A 88 162.692 1.309 2.070 1.00 0.00 C ATOM 0 H ALA A 88 163.427 4.195 2.245 1.00 0.00 H new ATOM 0 HA ALA A 88 162.549 2.089 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 88 162.990 0.313 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.613 1.334 1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 88 163.196 1.549 1.133 1.00 0.00 H new ATOM 1355 N LYS A 89 165.017 1.182 4.029 1.00 0.00 N ATOM 1356 CA LYS A 89 166.431 0.996 4.336 1.00 0.00 C ATOM 1357 C LYS A 89 166.776 -0.471 4.142 1.00 0.00 C ATOM 1358 O LYS A 89 165.975 -1.342 4.467 1.00 0.00 O ATOM 1359 CB LYS A 89 166.741 1.461 5.771 1.00 0.00 C ATOM 1360 CG LYS A 89 168.057 0.949 6.356 1.00 0.00 C ATOM 1361 CD LYS A 89 168.487 1.777 7.561 1.00 0.00 C ATOM 1362 CE LYS A 89 167.338 2.019 8.530 1.00 0.00 C ATOM 1363 NZ LYS A 89 167.824 2.303 9.910 1.00 0.00 N ATOM 0 H LYS A 89 164.417 0.415 4.331 1.00 0.00 H new ATOM 0 HA LYS A 89 167.042 1.601 3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 89 166.756 2.551 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 89 165.926 1.144 6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 89 167.945 -0.094 6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 89 168.834 0.983 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 89 169.297 1.266 8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 89 168.881 2.735 7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 89 166.736 2.857 8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 89 166.688 1.145 8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 167.011 2.462 10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 168.377 1.493 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 168.424 3.152 9.899 1.00 0.00 H new ATOM 1377 N PHE A 90 167.941 -0.747 3.575 1.00 0.00 N ATOM 1378 CA PHE A 90 168.328 -2.127 3.308 1.00 0.00 C ATOM 1379 C PHE A 90 169.644 -2.514 3.969 1.00 0.00 C ATOM 1380 O PHE A 90 170.568 -1.708 4.082 1.00 0.00 O ATOM 1381 CB PHE A 90 168.421 -2.355 1.798 1.00 0.00 C ATOM 1382 CG PHE A 90 167.151 -2.026 1.066 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.673 -0.725 1.031 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.433 -3.017 0.416 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.503 -0.420 0.363 1.00 0.00 C ATOM 1386 CE2 PHE A 90 165.262 -2.717 -0.255 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.797 -1.416 -0.282 1.00 0.00 C ATOM 0 H PHE A 90 168.627 -0.046 3.294 1.00 0.00 H new ATOM 0 HA PHE A 90 167.556 -2.763 3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.232 -1.747 1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 90 168.680 -3.397 1.611 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.222 0.059 1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 90 166.792 -4.035 0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 90 165.141 0.597 0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 90 164.711 -3.499 -0.757 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.883 -1.179 -0.807 1.00 0.00 H new ATOM 1397 N LEU A 91 169.712 -3.775 4.380 1.00 0.00 N ATOM 1398 CA LEU A 91 170.899 -4.333 5.012 1.00 0.00 C ATOM 1399 C LEU A 91 171.344 -5.569 4.239 1.00 0.00 C ATOM 1400 O LEU A 91 170.589 -6.531 4.120 1.00 0.00 O ATOM 1401 CB LEU A 91 170.605 -4.703 6.468 1.00 0.00 C ATOM 1402 CG LEU A 91 170.196 -3.536 7.369 1.00 0.00 C ATOM 1403 CD1 LEU A 91 169.830 -4.037 8.756 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.321 -2.522 7.462 1.00 0.00 C ATOM 0 H LEU A 91 168.944 -4.439 4.284 1.00 0.00 H new ATOM 0 HA LEU A 91 171.695 -3.588 5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 91 169.810 -5.448 6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 91 171.492 -5.175 6.892 1.00 0.00 H new ATOM 0 HG LEU A 91 169.322 -3.053 6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 91 169.542 -3.193 9.383 1.00 0.00 H new ATOM 0 HD12 LEU A 91 168.997 -4.736 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 91 170.689 -4.542 9.199 1.00 0.00 H new ATOM 0 HD21 LEU A 91 171.015 -1.698 8.106 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.208 -2.999 7.879 1.00 0.00 H new ATOM 0 HD23 LEU A 91 171.549 -2.140 6.467 1.00 0.00 H new ATOM 1416 N ILE A 92 172.559 -5.542 3.701 1.00 0.00 N ATOM 1417 CA ILE A 92 173.065 -6.675 2.928 1.00 0.00 C ATOM 1418 C ILE A 92 174.453 -7.102 3.391 1.00 0.00 C ATOM 1419 O ILE A 92 175.397 -6.312 3.380 1.00 0.00 O ATOM 1420 CB ILE A 92 173.118 -6.365 1.410 1.00 0.00 C ATOM 1421 CG1 ILE A 92 172.987 -4.861 1.151 1.00 0.00 C ATOM 1422 CG2 ILE A 92 172.034 -7.137 0.670 1.00 0.00 C ATOM 1423 CD1 ILE A 92 171.582 -4.342 1.330 1.00 0.00 C ATOM 0 H ILE A 92 173.207 -4.758 3.783 1.00 0.00 H new ATOM 0 HA ILE A 92 172.362 -7.490 3.100 1.00 0.00 H new ATOM 0 HB ILE A 92 174.089 -6.686 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 92 173.653 -4.324 1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 92 173.320 -4.644 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 92 172.086 -6.907 -0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 92 172.183 -8.206 0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 92 171.056 -6.851 1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 92 171.562 -3.270 1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 92 170.914 -4.853 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.253 -4.527 2.353 1.00 0.00 H new ATOM 1435 N SER A 93 174.567 -8.366 3.787 1.00 0.00 N ATOM 1436 CA SER A 93 175.840 -8.914 4.245 1.00 0.00 C ATOM 1437 C SER A 93 176.916 -8.730 3.178 1.00 0.00 C ATOM 1438 O SER A 93 176.797 -9.252 2.069 1.00 0.00 O ATOM 1439 CB SER A 93 175.691 -10.398 4.585 1.00 0.00 C ATOM 1440 OG SER A 93 174.353 -10.712 4.929 1.00 0.00 O ATOM 0 H SER A 93 173.793 -9.030 3.800 1.00 0.00 H new ATOM 0 HA SER A 93 176.141 -8.375 5.143 1.00 0.00 H new ATOM 0 HB2 SER A 93 176.002 -11.002 3.733 1.00 0.00 H new ATOM 0 HB3 SER A 93 176.352 -10.652 5.414 1.00 0.00 H new ATOM 0 HG SER A 93 174.313 -11.621 5.292 1.00 0.00 H new ATOM 1446 N HIS A 94 177.964 -7.983 3.515 1.00 0.00 N ATOM 1447 CA HIS A 94 179.055 -7.731 2.577 1.00 0.00 C ATOM 1448 C HIS A 94 179.657 -9.040 2.077 1.00 0.00 C ATOM 1449 O HIS A 94 180.009 -9.164 0.903 1.00 0.00 O ATOM 1450 CB HIS A 94 180.142 -6.875 3.232 1.00 0.00 C ATOM 1451 CG HIS A 94 179.870 -5.406 3.165 1.00 0.00 C ATOM 1452 ND1 HIS A 94 180.374 -4.597 2.172 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.145 -4.598 3.974 1.00 0.00 C ATOM 1454 CE1 HIS A 94 179.974 -3.353 2.372 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.226 -3.328 3.459 1.00 0.00 N ATOM 0 H HIS A 94 178.081 -7.543 4.428 1.00 0.00 H new ATOM 0 HA HIS A 94 178.644 -7.190 1.725 1.00 0.00 H new ATOM 0 HB2 HIS A 94 180.244 -7.170 4.276 1.00 0.00 H new ATOM 0 HB3 HIS A 94 181.096 -7.082 2.748 1.00 0.00 H new ATOM 0 HD2 HIS A 94 178.604 -4.897 4.860 1.00 0.00 H new ATOM 0 HE1 HIS A 94 180.218 -2.503 1.752 1.00 0.00 H new ATOM 0 HE2 HIS A 94 178.780 -2.499 3.853 1.00 0.00 H new ATOM 1464 N ARG A 95 179.770 -10.015 2.973 1.00 0.00 N ATOM 1465 CA ARG A 95 180.327 -11.315 2.621 1.00 0.00 C ATOM 1466 C ARG A 95 179.511 -11.977 1.520 1.00 0.00 C ATOM 1467 O ARG A 95 178.496 -11.441 1.075 1.00 0.00 O ATOM 1468 CB ARG A 95 180.378 -12.223 3.852 1.00 0.00 C ATOM 1469 CG ARG A 95 181.475 -11.850 4.837 1.00 0.00 C ATOM 1470 CD ARG A 95 182.106 -13.084 5.465 1.00 0.00 C ATOM 1471 NE ARG A 95 181.804 -13.188 6.891 1.00 0.00 N ATOM 1472 CZ ARG A 95 182.431 -12.489 7.834 1.00 0.00 C ATOM 1473 NH1 ARG A 95 183.393 -11.634 7.508 1.00 0.00 N ATOM 1474 NH2 ARG A 95 182.094 -12.643 9.108 1.00 0.00 N ATOM 0 H ARG A 95 179.483 -9.929 3.948 1.00 0.00 H new ATOM 0 HA ARG A 95 181.341 -11.159 2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 95 179.415 -12.185 4.362 1.00 0.00 H new ATOM 0 HB3 ARG A 95 180.527 -13.253 3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 95 182.242 -11.269 4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 95 181.062 -11.214 5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 95 181.746 -13.976 4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 95 183.186 -13.050 5.325 1.00 0.00 H new ATOM 0 HE ARG A 95 181.070 -13.834 7.180 1.00 0.00 H new ATOM 0 HH11 ARG A 95 183.655 -11.510 6.530 1.00 0.00 H new ATOM 0 HH12 ARG A 95 183.870 -11.101 8.235 1.00 0.00 H new ATOM 0 HH21 ARG A 95 181.355 -13.297 9.364 1.00 0.00 H new ATOM 0 HH22 ARG A 95 182.574 -12.107 9.831 1.00 0.00 H new ATOM 1488 N GLU A 96 179.969 -13.140 1.080 1.00 0.00 N ATOM 1489 CA GLU A 96 179.293 -13.876 0.024 1.00 0.00 C ATOM 1490 C GLU A 96 178.471 -15.027 0.598 1.00 0.00 C ATOM 1491 O GLU A 96 177.423 -15.384 0.059 1.00 0.00 O ATOM 1492 CB GLU A 96 180.322 -14.393 -0.983 1.00 0.00 C ATOM 1493 CG GLU A 96 181.081 -15.628 -0.518 1.00 0.00 C ATOM 1494 CD GLU A 96 180.552 -16.906 -1.139 1.00 0.00 C ATOM 1495 OE1 GLU A 96 179.404 -17.287 -0.826 1.00 0.00 O ATOM 1496 OE2 GLU A 96 181.284 -17.524 -1.939 1.00 0.00 O ATOM 0 H GLU A 96 180.808 -13.594 1.440 1.00 0.00 H new ATOM 0 HA GLU A 96 178.604 -13.203 -0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 96 179.814 -14.623 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 96 181.037 -13.599 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 96 182.136 -15.517 -0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 96 181.016 -15.702 0.568 1.00 0.00 H new ATOM 1503 N GLU A 97 178.952 -15.602 1.695 1.00 0.00 N ATOM 1504 CA GLU A 97 178.261 -16.710 2.344 1.00 0.00 C ATOM 1505 C GLU A 97 177.105 -16.199 3.198 1.00 0.00 C ATOM 1506 O GLU A 97 177.151 -15.086 3.721 1.00 0.00 O ATOM 1507 CB GLU A 97 179.237 -17.510 3.209 1.00 0.00 C ATOM 1508 CG GLU A 97 179.880 -18.679 2.480 1.00 0.00 C ATOM 1509 CD GLU A 97 180.721 -19.546 3.397 1.00 0.00 C ATOM 1510 OE1 GLU A 97 180.262 -19.841 4.520 1.00 0.00 O ATOM 1511 OE2 GLU A 97 181.839 -19.928 2.991 1.00 0.00 O ATOM 0 H GLU A 97 179.818 -15.319 2.153 1.00 0.00 H new ATOM 0 HA GLU A 97 177.858 -17.362 1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 97 180.020 -16.843 3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 97 178.709 -17.886 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 97 179.102 -19.289 2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 97 180.505 -18.299 1.671 1.00 0.00 H new ATOM 1518 N ASP A 98 176.068 -17.021 3.339 1.00 0.00 N ATOM 1519 CA ASP A 98 174.900 -16.654 4.133 1.00 0.00 C ATOM 1520 C ASP A 98 174.330 -15.309 3.688 1.00 0.00 C ATOM 1521 O ASP A 98 173.929 -14.490 4.515 1.00 0.00 O ATOM 1522 CB ASP A 98 175.264 -16.602 5.619 1.00 0.00 C ATOM 1523 CG ASP A 98 174.220 -17.267 6.494 1.00 0.00 C ATOM 1524 OD1 ASP A 98 174.097 -18.508 6.433 1.00 0.00 O ATOM 1525 OD2 ASP A 98 173.524 -16.546 7.240 1.00 0.00 O ATOM 0 H ASP A 98 176.013 -17.946 2.913 1.00 0.00 H new ATOM 0 HA ASP A 98 174.136 -17.416 3.978 1.00 0.00 H new ATOM 0 HB2 ASP A 98 176.226 -17.090 5.772 1.00 0.00 H new ATOM 0 HB3 ASP A 98 175.382 -15.563 5.925 1.00 0.00 H new ATOM 1530 N ARG A 99 174.297 -15.086 2.376 1.00 0.00 N ATOM 1531 CA ARG A 99 173.777 -13.839 1.823 1.00 0.00 C ATOM 1532 C ARG A 99 172.396 -13.519 2.393 1.00 0.00 C ATOM 1533 O ARG A 99 171.395 -14.114 1.995 1.00 0.00 O ATOM 1534 CB ARG A 99 173.709 -13.923 0.295 1.00 0.00 C ATOM 1535 CG ARG A 99 173.088 -12.698 -0.361 1.00 0.00 C ATOM 1536 CD ARG A 99 173.790 -11.416 0.061 1.00 0.00 C ATOM 1537 NE ARG A 99 174.305 -10.672 -1.086 1.00 0.00 N ATOM 1538 CZ ARG A 99 173.553 -9.899 -1.867 1.00 0.00 C ATOM 1539 NH1 ARG A 99 172.254 -9.767 -1.630 1.00 0.00 N ATOM 1540 NH2 ARG A 99 174.103 -9.256 -2.889 1.00 0.00 N ATOM 0 H ARG A 99 174.624 -15.753 1.677 1.00 0.00 H new ATOM 0 HA ARG A 99 174.457 -13.035 2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 99 174.717 -14.062 -0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 99 173.133 -14.805 0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 99 173.139 -12.801 -1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 99 172.032 -12.639 -0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 99 173.095 -10.788 0.618 1.00 0.00 H new ATOM 0 HD3 ARG A 99 174.612 -11.657 0.735 1.00 0.00 H new ATOM 0 HE ARG A 99 175.299 -10.749 -1.301 1.00 0.00 H new ATOM 0 HH11 ARG A 99 171.826 -10.259 -0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 99 171.683 -9.173 -2.232 1.00 0.00 H new ATOM 0 HH21 ARG A 99 175.101 -9.354 -3.076 1.00 0.00 H new ATOM 0 HH22 ARG A 99 173.528 -8.664 -3.488 1.00 0.00 H new ATOM 1554 N GLU A 100 172.357 -12.576 3.328 1.00 0.00 N ATOM 1555 CA GLU A 100 171.104 -12.175 3.959 1.00 0.00 C ATOM 1556 C GLU A 100 170.794 -10.708 3.679 1.00 0.00 C ATOM 1557 O GLU A 100 171.679 -9.852 3.743 1.00 0.00 O ATOM 1558 CB GLU A 100 171.171 -12.414 5.469 1.00 0.00 C ATOM 1559 CG GLU A 100 171.070 -13.880 5.858 1.00 0.00 C ATOM 1560 CD GLU A 100 169.740 -14.496 5.469 1.00 0.00 C ATOM 1561 OE1 GLU A 100 169.535 -14.755 4.265 1.00 0.00 O ATOM 1562 OE2 GLU A 100 168.904 -14.720 6.370 1.00 0.00 O ATOM 0 H GLU A 100 173.178 -12.075 3.666 1.00 0.00 H new ATOM 0 HA GLU A 100 170.304 -12.782 3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 100 172.108 -12.009 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 100 170.365 -11.862 5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 100 171.877 -14.435 5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 100 171.210 -13.977 6.935 1.00 0.00 H new ATOM 1569 N PHE A 101 169.531 -10.424 3.371 1.00 0.00 N ATOM 1570 CA PHE A 101 169.101 -9.061 3.084 1.00 0.00 C ATOM 1571 C PHE A 101 167.793 -8.741 3.808 1.00 0.00 C ATOM 1572 O PHE A 101 166.879 -9.565 3.850 1.00 0.00 O ATOM 1573 CB PHE A 101 168.941 -8.858 1.573 1.00 0.00 C ATOM 1574 CG PHE A 101 167.675 -9.442 1.011 1.00 0.00 C ATOM 1575 CD1 PHE A 101 167.536 -10.812 0.856 1.00 0.00 C ATOM 1576 CD2 PHE A 101 166.624 -8.619 0.640 1.00 0.00 C ATOM 1577 CE1 PHE A 101 166.370 -11.349 0.343 1.00 0.00 C ATOM 1578 CE2 PHE A 101 165.458 -9.150 0.125 1.00 0.00 C ATOM 1579 CZ PHE A 101 165.330 -10.517 -0.023 1.00 0.00 C ATOM 0 H PHE A 101 168.788 -11.121 3.314 1.00 0.00 H new ATOM 0 HA PHE A 101 169.868 -8.377 3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 101 168.965 -7.790 1.355 1.00 0.00 H new ATOM 0 HB3 PHE A 101 169.794 -9.307 1.064 1.00 0.00 H new ATOM 0 HD1 PHE A 101 168.347 -11.467 1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 101 166.718 -7.549 0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 101 166.272 -12.418 0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 101 164.647 -8.497 -0.162 1.00 0.00 H new ATOM 0 HZ PHE A 101 164.418 -10.935 -0.424 1.00 0.00 H new ATOM 1589 N HIS A 102 167.709 -7.539 4.373 1.00 0.00 N ATOM 1590 CA HIS A 102 166.512 -7.111 5.093 1.00 0.00 C ATOM 1591 C HIS A 102 166.190 -5.653 4.773 1.00 0.00 C ATOM 1592 O HIS A 102 167.056 -4.905 4.320 1.00 0.00 O ATOM 1593 CB HIS A 102 166.675 -7.299 6.611 1.00 0.00 C ATOM 1594 CG HIS A 102 168.093 -7.480 7.082 1.00 0.00 C ATOM 1595 ND1 HIS A 102 168.612 -6.809 8.168 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.092 -8.277 6.628 1.00 0.00 C ATOM 1597 CE1 HIS A 102 169.864 -7.184 8.360 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.178 -8.073 7.440 1.00 0.00 N ATOM 0 H HIS A 102 168.455 -6.844 4.346 1.00 0.00 H new ATOM 0 HA HIS A 102 165.683 -7.737 4.763 1.00 0.00 H new ATOM 0 HB2 HIS A 102 166.248 -6.433 7.117 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.092 -8.167 6.919 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.042 -8.948 5.783 1.00 0.00 H new ATOM 0 HE1 HIS A 102 170.519 -6.823 9.139 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.083 -8.535 7.347 1.00 0.00 H new ATOM 1607 N VAL A 103 164.939 -5.254 5.001 1.00 0.00 N ATOM 1608 CA VAL A 103 164.528 -3.881 4.719 1.00 0.00 C ATOM 1609 C VAL A 103 163.397 -3.401 5.623 1.00 0.00 C ATOM 1610 O VAL A 103 162.477 -4.154 5.943 1.00 0.00 O ATOM 1611 CB VAL A 103 164.083 -3.724 3.252 1.00 0.00 C ATOM 1612 CG1 VAL A 103 162.772 -4.459 3.004 1.00 0.00 C ATOM 1613 CG2 VAL A 103 163.951 -2.253 2.887 1.00 0.00 C ATOM 0 H VAL A 103 164.203 -5.853 5.375 1.00 0.00 H new ATOM 0 HA VAL A 103 165.407 -3.267 4.914 1.00 0.00 H new ATOM 0 HB VAL A 103 164.848 -4.168 2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 103 162.477 -4.335 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 103 162.903 -5.519 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 103 161.997 -4.050 3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.636 -2.163 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.209 -1.783 3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 103 164.913 -1.758 3.019 1.00 0.00 H new ATOM 1623 N ILE A 104 163.464 -2.128 6.006 1.00 0.00 N ATOM 1624 CA ILE A 104 162.433 -1.526 6.847 1.00 0.00 C ATOM 1625 C ILE A 104 161.649 -0.469 6.080 1.00 0.00 C ATOM 1626 O ILE A 104 162.215 0.295 5.299 1.00 0.00 O ATOM 1627 CB ILE A 104 163.009 -0.873 8.116 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.301 -0.103 7.798 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.222 -1.921 9.195 1.00 0.00 C ATOM 1630 CD1 ILE A 104 165.566 -0.932 7.871 1.00 0.00 C ATOM 0 H ILE A 104 164.220 -1.494 5.748 1.00 0.00 H new ATOM 0 HA ILE A 104 161.777 -2.345 7.143 1.00 0.00 H new ATOM 0 HB ILE A 104 162.291 -0.147 8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 104 164.218 0.321 6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.390 0.733 8.492 1.00 0.00 H new ATOM 0 HG21 ILE A 104 163.630 -1.447 10.088 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.270 -2.392 9.438 1.00 0.00 H new ATOM 0 HG23 ILE A 104 163.920 -2.677 8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 104 166.426 -0.306 7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 104 165.679 -1.335 8.877 1.00 0.00 H new ATOM 0 HD13 ILE A 104 165.505 -1.753 7.156 1.00 0.00 H new ATOM 1642 N TRP A 105 160.343 -0.429 6.315 1.00 0.00 N ATOM 1643 CA TRP A 105 159.476 0.545 5.651 1.00 0.00 C ATOM 1644 C TRP A 105 158.835 1.490 6.661 1.00 0.00 C ATOM 1645 O TRP A 105 158.587 1.118 7.808 1.00 0.00 O ATOM 1646 CB TRP A 105 158.386 -0.159 4.841 1.00 0.00 C ATOM 1647 CG TRP A 105 158.904 -1.289 4.006 1.00 0.00 C ATOM 1648 CD1 TRP A 105 158.836 -2.621 4.296 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.571 -1.186 2.743 1.00 0.00 C ATOM 1650 NE1 TRP A 105 159.417 -3.353 3.289 1.00 0.00 N ATOM 1651 CE2 TRP A 105 159.875 -2.494 2.324 1.00 0.00 C ATOM 1652 CE3 TRP A 105 159.939 -0.114 1.923 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.529 -2.758 1.124 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 160.585 -0.377 0.734 1.00 0.00 C ATOM 1655 CH2 TRP A 105 160.874 -1.691 0.341 1.00 0.00 C ATOM 0 H TRP A 105 159.859 -1.056 6.958 1.00 0.00 H new ATOM 0 HA TRP A 105 160.100 1.129 4.974 1.00 0.00 H new ATOM 0 HB2 TRP A 105 157.625 -0.539 5.523 1.00 0.00 H new ATOM 0 HB3 TRP A 105 157.898 0.569 4.193 1.00 0.00 H new ATOM 0 HD1 TRP A 105 158.391 -3.039 5.187 1.00 0.00 H new ATOM 0 HE1 TRP A 105 159.495 -4.370 3.264 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.721 0.902 2.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 160.756 -3.770 0.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 160.873 0.444 0.094 1.00 0.00 H new ATOM 0 HH2 TRP A 105 161.379 -1.864 -0.598 1.00 0.00 H new ATOM 1666 N LYS A 106 158.566 2.716 6.223 1.00 0.00 N ATOM 1667 CA LYS A 106 157.950 3.720 7.081 1.00 0.00 C ATOM 1668 C LYS A 106 156.543 3.297 7.489 1.00 0.00 C ATOM 1669 O LYS A 106 155.916 2.470 6.828 1.00 0.00 O ATOM 1670 CB LYS A 106 157.899 5.068 6.360 1.00 0.00 C ATOM 1671 CG LYS A 106 157.721 6.253 7.297 1.00 0.00 C ATOM 1672 CD LYS A 106 158.764 7.332 7.046 1.00 0.00 C ATOM 1673 CE LYS A 106 158.165 8.532 6.330 1.00 0.00 C ATOM 1674 NZ LYS A 106 159.197 9.306 5.585 1.00 0.00 N ATOM 0 H LYS A 106 158.766 3.038 5.276 1.00 0.00 H new ATOM 0 HA LYS A 106 158.556 3.817 7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 106 158.819 5.201 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 106 157.078 5.056 5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 106 156.724 6.674 7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 106 157.791 5.913 8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 106 159.194 7.651 7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 106 159.578 6.920 6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 106 157.394 8.194 5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 106 157.678 9.182 7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 158.749 10.116 5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 159.919 9.650 6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 159.645 8.693 4.874 1.00 0.00 H new ATOM 1688 N LYS A 107 156.052 3.871 8.583 1.00 0.00 N ATOM 1689 CA LYS A 107 154.718 3.555 9.079 1.00 0.00 C ATOM 1690 C LYS A 107 154.003 4.812 9.562 1.00 0.00 C ATOM 1691 O LYS A 107 152.779 4.919 9.338 1.00 0.00 O ATOM 1692 CB LYS A 107 154.802 2.533 10.214 1.00 0.00 C ATOM 1693 CG LYS A 107 155.623 3.009 11.401 1.00 0.00 C ATOM 1694 CD LYS A 107 155.075 2.464 12.711 1.00 0.00 C ATOM 1695 CE LYS A 107 156.194 2.066 13.659 1.00 0.00 C ATOM 1696 NZ LYS A 107 155.833 0.874 14.475 1.00 0.00 N ATOM 1697 OXT LYS A 107 154.673 5.680 10.161 1.00 0.00 O ATOM 0 H LYS A 107 156.558 4.557 9.143 1.00 0.00 H new ATOM 0 HA LYS A 107 154.144 3.128 8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 107 153.794 2.294 10.552 1.00 0.00 H new ATOM 0 HB3 LYS A 107 155.236 1.610 9.829 1.00 0.00 H new ATOM 0 HG2 LYS A 107 156.659 2.693 11.279 1.00 0.00 H new ATOM 0 HG3 LYS A 107 155.624 4.099 11.431 1.00 0.00 H new ATOM 0 HD2 LYS A 107 154.446 3.217 13.185 1.00 0.00 H new ATOM 0 HD3 LYS A 107 154.442 1.600 12.510 1.00 0.00 H new ATOM 0 HE2 LYS A 107 157.097 1.854 13.086 1.00 0.00 H new ATOM 0 HE3 LYS A 107 156.425 2.902 14.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 156.622 0.635 15.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 154.986 1.084 15.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 155.638 0.069 13.846 1.00 0.00 H new