USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0604) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -150:sc= -1.43 USER MOD Single : A 18 TYR OH : rot -45:sc= 0.292 USER MOD Single : A 24 MET CE :methyl 149:sc= -0.486 (180deg=-1.92!) USER MOD Single : A 28 ASN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 38 ASN : amide:sc=-0.00468 X(o=-0.0047,f=0) USER MOD Single : A 40 GLN : amide:sc= -3.57! K(o=-3.6!,f=-1.7) USER MOD Single : A 52 THR OG1 : rot 61:sc= -2.68! USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -10.6! C(o=-11!,f=-7.3!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0.015) USER MOD Single : A 83 MET CE :methyl 171:sc= -1.69 (180deg=-1.84) USER MOD Single : A 89 LYS NZ :NH3+ -131:sc= 0.0266 (180deg=0) USER MOD Single : A 93 SER OG : rot -48:sc= 0.161 USER MOD Single : A 94 HIS : no HD1:sc= -4.48! C(o=-4.5!,f=-6.1!) USER MOD Single : A 102 HIS : no HD1:sc= -6.46! C(o=-6.5!,f=-4.9!) 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 6 185.661 -9.000 1.702 1.00 0.00 N ATOM 81 CA LYS A 6 185.655 -7.917 0.728 1.00 0.00 C ATOM 82 C LYS A 6 184.754 -6.782 1.193 1.00 0.00 C ATOM 83 O LYS A 6 183.980 -6.934 2.137 1.00 0.00 O ATOM 84 CB LYS A 6 185.197 -8.434 -0.638 1.00 0.00 C ATOM 85 CG LYS A 6 183.739 -8.866 -0.674 1.00 0.00 C ATOM 86 CD LYS A 6 183.043 -8.381 -1.936 1.00 0.00 C ATOM 87 CE LYS A 6 183.486 -9.172 -3.157 1.00 0.00 C ATOM 88 NZ LYS A 6 184.491 -8.429 -3.966 1.00 0.00 N ATOM 0 HA LYS A 6 186.671 -7.533 0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 6 185.353 -7.653 -1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 6 185.824 -9.278 -0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 6 183.679 -9.953 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 6 183.221 -8.474 0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 6 181.964 -8.471 -1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 6 183.259 -7.324 -2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 6 183.909 -10.125 -2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 6 182.618 -9.400 -3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 184.678 -8.947 -4.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 184.124 -7.483 -4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 185.374 -8.337 -3.424 1.00 0.00 H new ATOM 102 N LYS A 7 184.878 -5.640 0.535 1.00 0.00 N ATOM 103 CA LYS A 7 184.096 -4.469 0.886 1.00 0.00 C ATOM 104 C LYS A 7 183.326 -3.919 -0.314 1.00 0.00 C ATOM 105 O LYS A 7 183.915 -3.484 -1.303 1.00 0.00 O ATOM 106 CB LYS A 7 185.018 -3.411 1.483 1.00 0.00 C ATOM 107 CG LYS A 7 185.773 -2.577 0.464 1.00 0.00 C ATOM 108 CD LYS A 7 186.620 -3.430 -0.470 1.00 0.00 C ATOM 109 CE LYS A 7 187.597 -4.306 0.301 1.00 0.00 C ATOM 110 NZ LYS A 7 188.377 -5.197 -0.602 1.00 0.00 N ATOM 0 H LYS A 7 185.516 -5.501 -0.248 1.00 0.00 H new ATOM 0 HA LYS A 7 183.350 -4.757 1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 7 184.425 -2.745 2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 7 185.739 -3.904 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 7 185.063 -1.995 -0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 7 186.415 -1.866 0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 7 185.970 -4.058 -1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 7 187.171 -2.784 -1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 7 188.281 -3.675 0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 7 187.049 -4.911 1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 189.031 -5.777 -0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 187.726 -5.818 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 188.920 -4.620 -1.275 1.00 0.00 H new ATOM 124 N LEU A 8 182.001 -3.945 -0.216 1.00 0.00 N ATOM 125 CA LEU A 8 181.144 -3.452 -1.288 1.00 0.00 C ATOM 126 C LEU A 8 181.422 -1.978 -1.571 1.00 0.00 C ATOM 127 O LEU A 8 181.951 -1.261 -0.722 1.00 0.00 O ATOM 128 CB LEU A 8 179.670 -3.648 -0.920 1.00 0.00 C ATOM 129 CG LEU A 8 178.909 -4.634 -1.806 1.00 0.00 C ATOM 130 CD1 LEU A 8 177.569 -4.989 -1.181 1.00 0.00 C ATOM 131 CD2 LEU A 8 178.713 -4.055 -3.200 1.00 0.00 C ATOM 0 H LEU A 8 181.497 -4.303 0.596 1.00 0.00 H new ATOM 0 HA LEU A 8 181.364 -4.023 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.611 -3.991 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 8 179.168 -2.681 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 8 179.499 -5.546 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 8 177.042 -5.692 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 8 177.732 -5.445 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 8 176.971 -4.085 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 8 178.170 -4.770 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 8 178.144 -3.128 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 8 179.685 -3.852 -3.650 1.00 0.00 H new ATOM 143 N ASP A 9 181.060 -1.534 -2.770 1.00 0.00 N ATOM 144 CA ASP A 9 181.269 -0.146 -3.166 1.00 0.00 C ATOM 145 C ASP A 9 179.992 0.671 -2.976 1.00 0.00 C ATOM 146 O ASP A 9 178.896 0.114 -2.898 1.00 0.00 O ATOM 147 CB ASP A 9 181.727 -0.073 -4.626 1.00 0.00 C ATOM 148 CG ASP A 9 183.168 0.380 -4.757 1.00 0.00 C ATOM 149 OD1 ASP A 9 184.068 -0.366 -4.317 1.00 0.00 O ATOM 150 OD2 ASP A 9 183.397 1.481 -5.301 1.00 0.00 O ATOM 0 H ASP A 9 180.621 -2.115 -3.484 1.00 0.00 H new ATOM 0 HA ASP A 9 182.046 0.276 -2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 9 181.613 -1.053 -5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 9 181.082 0.615 -5.173 1.00 0.00 H new ATOM 155 N PRO A 10 180.116 2.007 -2.898 1.00 0.00 N ATOM 156 CA PRO A 10 178.966 2.900 -2.717 1.00 0.00 C ATOM 157 C PRO A 10 177.946 2.760 -3.842 1.00 0.00 C ATOM 158 O PRO A 10 176.777 2.461 -3.600 1.00 0.00 O ATOM 159 CB PRO A 10 179.585 4.306 -2.724 1.00 0.00 C ATOM 160 CG PRO A 10 180.931 4.138 -3.343 1.00 0.00 C ATOM 161 CD PRO A 10 181.382 2.753 -2.983 1.00 0.00 C ATOM 0 HA PRO A 10 178.419 2.673 -1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 10 178.973 5.003 -3.296 1.00 0.00 H new ATOM 0 HB3 PRO A 10 179.664 4.707 -1.713 1.00 0.00 H new ATOM 0 HG2 PRO A 10 180.881 4.263 -4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 10 181.629 4.886 -2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 10 182.047 2.335 -3.739 1.00 0.00 H new ATOM 0 HD3 PRO A 10 181.924 2.738 -2.038 1.00 0.00 H new ATOM 169 N ASP A 11 178.398 2.979 -5.072 1.00 0.00 N ATOM 170 CA ASP A 11 177.525 2.878 -6.236 1.00 0.00 C ATOM 171 C ASP A 11 176.989 1.458 -6.391 1.00 0.00 C ATOM 172 O ASP A 11 175.878 1.253 -6.881 1.00 0.00 O ATOM 173 CB ASP A 11 178.278 3.294 -7.501 1.00 0.00 C ATOM 174 CG ASP A 11 177.418 4.118 -8.440 1.00 0.00 C ATOM 175 OD1 ASP A 11 177.255 5.330 -8.186 1.00 0.00 O ATOM 176 OD2 ASP A 11 176.908 3.551 -9.429 1.00 0.00 O ATOM 0 H ASP A 11 179.363 3.227 -5.289 1.00 0.00 H new ATOM 0 HA ASP A 11 176.681 3.551 -6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 11 179.161 3.869 -7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 11 178.629 2.403 -8.022 1.00 0.00 H new ATOM 181 N THR A 12 177.786 0.480 -5.971 1.00 0.00 N ATOM 182 CA THR A 12 177.390 -0.921 -6.065 1.00 0.00 C ATOM 183 C THR A 12 176.183 -1.206 -5.175 1.00 0.00 C ATOM 184 O THR A 12 175.214 -1.829 -5.609 1.00 0.00 O ATOM 185 CB THR A 12 178.557 -1.830 -5.675 1.00 0.00 C ATOM 186 OG1 THR A 12 179.764 -1.369 -6.254 1.00 0.00 O ATOM 187 CG2 THR A 12 178.364 -3.269 -6.103 1.00 0.00 C ATOM 0 H THR A 12 178.708 0.632 -5.563 1.00 0.00 H new ATOM 0 HA THR A 12 177.111 -1.126 -7.098 1.00 0.00 H new ATOM 0 HB THR A 12 178.601 -1.794 -4.586 1.00 0.00 H new ATOM 0 HG1 THR A 12 180.360 -2.130 -6.418 1.00 0.00 H new ATOM 0 HG21 THR A 12 179.227 -3.859 -5.796 1.00 0.00 H new ATOM 0 HG22 THR A 12 177.465 -3.670 -5.635 1.00 0.00 H new ATOM 0 HG23 THR A 12 178.260 -3.315 -7.187 1.00 0.00 H new ATOM 195 N ALA A 13 176.244 -0.739 -3.931 1.00 0.00 N ATOM 196 CA ALA A 13 175.151 -0.939 -2.987 1.00 0.00 C ATOM 197 C ALA A 13 173.889 -0.229 -3.462 1.00 0.00 C ATOM 198 O ALA A 13 172.813 -0.824 -3.521 1.00 0.00 O ATOM 199 CB ALA A 13 175.548 -0.446 -1.604 1.00 0.00 C ATOM 0 H ALA A 13 177.038 -0.220 -3.555 1.00 0.00 H new ATOM 0 HA ALA A 13 174.941 -2.007 -2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 13 174.721 -0.602 -0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 13 176.421 -0.998 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 13 175.786 0.617 -1.651 1.00 0.00 H new ATOM 205 N ILE A 14 174.030 1.050 -3.801 1.00 0.00 N ATOM 206 CA ILE A 14 172.906 1.852 -4.275 1.00 0.00 C ATOM 207 C ILE A 14 172.135 1.127 -5.375 1.00 0.00 C ATOM 208 O ILE A 14 170.910 1.216 -5.452 1.00 0.00 O ATOM 209 CB ILE A 14 173.389 3.219 -4.806 1.00 0.00 C ATOM 210 CG1 ILE A 14 173.961 4.059 -3.664 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.255 3.962 -5.499 1.00 0.00 C ATOM 212 CD1 ILE A 14 174.745 5.265 -4.135 1.00 0.00 C ATOM 0 H ILE A 14 174.915 1.555 -3.756 1.00 0.00 H new ATOM 0 HA ILE A 14 172.242 2.012 -3.425 1.00 0.00 H new ATOM 0 HB ILE A 14 174.177 3.044 -5.539 1.00 0.00 H new ATOM 0 HG12 ILE A 14 173.144 4.394 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 14 174.608 3.432 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 14 172.619 4.922 -5.865 1.00 0.00 H new ATOM 0 HG22 ILE A 14 171.890 3.369 -6.338 1.00 0.00 H new ATOM 0 HG23 ILE A 14 171.443 4.128 -4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.121 5.814 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 14 175.583 4.937 -4.750 1.00 0.00 H new ATOM 0 HD13 ILE A 14 174.096 5.914 -4.723 1.00 0.00 H new ATOM 224 N ASP A 15 172.862 0.407 -6.220 1.00 0.00 N ATOM 225 CA ASP A 15 172.249 -0.338 -7.313 1.00 0.00 C ATOM 226 C ASP A 15 171.473 -1.537 -6.780 1.00 0.00 C ATOM 227 O ASP A 15 170.395 -1.868 -7.281 1.00 0.00 O ATOM 228 CB ASP A 15 173.319 -0.805 -8.303 1.00 0.00 C ATOM 229 CG ASP A 15 172.890 -0.626 -9.746 1.00 0.00 C ATOM 230 OD1 ASP A 15 172.731 0.534 -10.178 1.00 0.00 O ATOM 231 OD2 ASP A 15 172.713 -1.647 -10.443 1.00 0.00 O ATOM 0 H ASP A 15 173.877 0.323 -6.170 1.00 0.00 H new ATOM 0 HA ASP A 15 171.553 0.324 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 15 174.239 -0.247 -8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 15 173.544 -1.856 -8.122 1.00 0.00 H new ATOM 236 N ILE A 16 172.022 -2.181 -5.755 1.00 0.00 N ATOM 237 CA ILE A 16 171.376 -3.338 -5.151 1.00 0.00 C ATOM 238 C ILE A 16 170.087 -2.933 -4.446 1.00 0.00 C ATOM 239 O ILE A 16 169.000 -3.360 -4.832 1.00 0.00 O ATOM 240 CB ILE A 16 172.306 -4.048 -4.146 1.00 0.00 C ATOM 241 CG1 ILE A 16 173.641 -4.387 -4.807 1.00 0.00 C ATOM 242 CG2 ILE A 16 171.648 -5.311 -3.612 1.00 0.00 C ATOM 243 CD1 ILE A 16 174.824 -4.288 -3.870 1.00 0.00 C ATOM 0 H ILE A 16 172.911 -1.921 -5.327 1.00 0.00 H new ATOM 0 HA ILE A 16 171.144 -4.031 -5.959 1.00 0.00 H new ATOM 0 HB ILE A 16 172.490 -3.373 -3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 16 173.591 -5.399 -5.209 1.00 0.00 H new ATOM 0 HG13 ILE A 16 173.800 -3.716 -5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 16 172.318 -5.799 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.716 -5.051 -3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 16 171.437 -5.989 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 16 175.737 -4.543 -4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 16 174.900 -3.270 -3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 16 174.688 -4.980 -3.039 1.00 0.00 H new ATOM 255 N ALA A 17 170.211 -2.100 -3.414 1.00 0.00 N ATOM 256 CA ALA A 17 169.049 -1.637 -2.662 1.00 0.00 C ATOM 257 C ALA A 17 167.949 -1.149 -3.598 1.00 0.00 C ATOM 258 O ALA A 17 166.766 -1.403 -3.367 1.00 0.00 O ATOM 259 CB ALA A 17 169.451 -0.534 -1.696 1.00 0.00 C ATOM 0 H ALA A 17 171.103 -1.733 -3.081 1.00 0.00 H new ATOM 0 HA ALA A 17 168.657 -2.479 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 17 168.574 -0.198 -1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 17 170.197 -0.915 -0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 17 169.870 0.303 -2.254 1.00 0.00 H new ATOM 265 N TYR A 18 168.346 -0.455 -4.661 1.00 0.00 N ATOM 266 CA TYR A 18 167.390 0.055 -5.636 1.00 0.00 C ATOM 267 C TYR A 18 166.536 -1.084 -6.181 1.00 0.00 C ATOM 268 O TYR A 18 165.306 -1.012 -6.176 1.00 0.00 O ATOM 269 CB TYR A 18 168.119 0.759 -6.783 1.00 0.00 C ATOM 270 CG TYR A 18 167.220 1.636 -7.625 1.00 0.00 C ATOM 271 CD1 TYR A 18 166.729 2.838 -7.131 1.00 0.00 C ATOM 272 CD2 TYR A 18 166.863 1.262 -8.914 1.00 0.00 C ATOM 273 CE1 TYR A 18 165.908 3.643 -7.898 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.042 2.061 -9.687 1.00 0.00 C ATOM 275 CZ TYR A 18 165.567 3.250 -9.175 1.00 0.00 C ATOM 276 OH TYR A 18 164.750 4.048 -9.941 1.00 0.00 O ATOM 0 H TYR A 18 169.320 -0.234 -4.868 1.00 0.00 H new ATOM 0 HA TYR A 18 166.742 0.777 -5.140 1.00 0.00 H new ATOM 0 HB2 TYR A 18 168.924 1.368 -6.371 1.00 0.00 H new ATOM 0 HB3 TYR A 18 168.583 0.008 -7.423 1.00 0.00 H new ATOM 0 HD1 TYR A 18 166.993 3.149 -6.131 1.00 0.00 H new ATOM 0 HD2 TYR A 18 167.233 0.332 -9.319 1.00 0.00 H new ATOM 0 HE1 TYR A 18 165.535 4.575 -7.499 1.00 0.00 H new ATOM 0 HE2 TYR A 18 165.774 1.756 -10.688 1.00 0.00 H new ATOM 0 HH TYR A 18 163.995 4.359 -9.399 1.00 0.00 H new ATOM 286 N ASP A 19 167.199 -2.141 -6.638 1.00 0.00 N ATOM 287 CA ASP A 19 166.501 -3.303 -7.172 1.00 0.00 C ATOM 288 C ASP A 19 165.702 -3.997 -6.072 1.00 0.00 C ATOM 289 O ASP A 19 164.662 -4.602 -6.334 1.00 0.00 O ATOM 290 CB ASP A 19 167.496 -4.283 -7.797 1.00 0.00 C ATOM 291 CG ASP A 19 167.012 -4.825 -9.127 1.00 0.00 C ATOM 292 OD1 ASP A 19 167.092 -4.089 -10.133 1.00 0.00 O ATOM 293 OD2 ASP A 19 166.552 -5.986 -9.163 1.00 0.00 O ATOM 0 H ASP A 19 168.216 -2.216 -6.649 1.00 0.00 H new ATOM 0 HA ASP A 19 165.811 -2.964 -7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 19 168.455 -3.784 -7.938 1.00 0.00 H new ATOM 0 HB3 ASP A 19 167.666 -5.112 -7.110 1.00 0.00 H new ATOM 298 N ILE A 20 166.195 -3.902 -4.840 1.00 0.00 N ATOM 299 CA ILE A 20 165.527 -4.517 -3.698 1.00 0.00 C ATOM 300 C ILE A 20 164.162 -3.884 -3.459 1.00 0.00 C ATOM 301 O ILE A 20 163.175 -4.587 -3.266 1.00 0.00 O ATOM 302 CB ILE A 20 166.382 -4.408 -2.416 1.00 0.00 C ATOM 303 CG1 ILE A 20 167.693 -5.178 -2.586 1.00 0.00 C ATOM 304 CG2 ILE A 20 165.615 -4.930 -1.207 1.00 0.00 C ATOM 305 CD1 ILE A 20 168.697 -4.915 -1.484 1.00 0.00 C ATOM 0 H ILE A 20 167.055 -3.405 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 20 165.393 -5.572 -3.935 1.00 0.00 H new ATOM 0 HB ILE A 20 166.611 -3.356 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 20 167.476 -6.246 -2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 20 168.139 -4.912 -3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 20 166.237 -4.843 -0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 20 164.705 -4.345 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 20 165.353 -5.976 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 20 169.602 -5.494 -1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 20 168.944 -3.853 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 20 168.270 -5.208 -0.525 1.00 0.00 H new ATOM 317 N PHE A 21 164.101 -2.559 -3.476 1.00 0.00 N ATOM 318 CA PHE A 21 162.838 -1.867 -3.263 1.00 0.00 C ATOM 319 C PHE A 21 161.850 -2.203 -4.380 1.00 0.00 C ATOM 320 O PHE A 21 160.712 -2.589 -4.123 1.00 0.00 O ATOM 321 CB PHE A 21 163.059 -0.344 -3.185 1.00 0.00 C ATOM 322 CG PHE A 21 161.835 0.466 -3.528 1.00 0.00 C ATOM 323 CD1 PHE A 21 160.581 0.041 -3.125 1.00 0.00 C ATOM 324 CD2 PHE A 21 161.934 1.634 -4.270 1.00 0.00 C ATOM 325 CE1 PHE A 21 159.450 0.759 -3.449 1.00 0.00 C ATOM 326 CE2 PHE A 21 160.803 2.356 -4.604 1.00 0.00 C ATOM 327 CZ PHE A 21 159.560 1.915 -4.191 1.00 0.00 C ATOM 0 H PHE A 21 164.902 -1.948 -3.633 1.00 0.00 H new ATOM 0 HA PHE A 21 162.419 -2.204 -2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 21 163.385 -0.085 -2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 21 163.867 -0.068 -3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 21 160.487 -0.867 -2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 21 162.905 1.983 -4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 21 158.479 0.416 -3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 21 160.891 3.262 -5.186 1.00 0.00 H new ATOM 0 HZ PHE A 21 158.675 2.477 -4.450 1.00 0.00 H new ATOM 337 N LEU A 22 162.291 -2.030 -5.618 1.00 0.00 N ATOM 338 CA LEU A 22 161.448 -2.288 -6.781 1.00 0.00 C ATOM 339 C LEU A 22 160.952 -3.733 -6.832 1.00 0.00 C ATOM 340 O LEU A 22 159.947 -4.023 -7.482 1.00 0.00 O ATOM 341 CB LEU A 22 162.216 -1.960 -8.063 1.00 0.00 C ATOM 342 CG LEU A 22 162.407 -0.466 -8.367 1.00 0.00 C ATOM 343 CD1 LEU A 22 162.330 0.379 -7.100 1.00 0.00 C ATOM 344 CD2 LEU A 22 163.737 -0.246 -9.070 1.00 0.00 C ATOM 0 H LEU A 22 163.233 -1.710 -5.845 1.00 0.00 H new ATOM 0 HA LEU A 22 160.572 -1.645 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 22 163.199 -2.428 -8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 22 161.694 -2.418 -8.903 1.00 0.00 H new ATOM 0 HG LEU A 22 161.596 -0.149 -9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 22 162.470 1.430 -7.354 1.00 0.00 H new ATOM 0 HD12 LEU A 22 161.355 0.245 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 22 163.111 0.067 -6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 22 163.865 0.815 -9.282 1.00 0.00 H new ATOM 0 HD22 LEU A 22 164.549 -0.588 -8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 22 163.752 -0.807 -10.004 1.00 0.00 H new ATOM 356 N GLU A 23 161.659 -4.642 -6.168 1.00 0.00 N ATOM 357 CA GLU A 23 161.271 -6.050 -6.177 1.00 0.00 C ATOM 358 C GLU A 23 160.603 -6.482 -4.868 1.00 0.00 C ATOM 359 O GLU A 23 159.552 -7.123 -4.889 1.00 0.00 O ATOM 360 CB GLU A 23 162.490 -6.929 -6.471 1.00 0.00 C ATOM 361 CG GLU A 23 163.529 -6.946 -5.362 1.00 0.00 C ATOM 362 CD GLU A 23 163.271 -8.028 -4.330 1.00 0.00 C ATOM 363 OE1 GLU A 23 162.184 -8.642 -4.372 1.00 0.00 O ATOM 364 OE2 GLU A 23 164.157 -8.262 -3.482 1.00 0.00 O ATOM 0 H GLU A 23 162.495 -4.433 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 23 160.531 -6.178 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 23 162.153 -7.949 -6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 23 162.962 -6.581 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 23 164.517 -7.095 -5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 23 163.542 -5.975 -4.868 1.00 0.00 H new ATOM 371 N MET A 24 161.213 -6.146 -3.735 1.00 0.00 N ATOM 372 CA MET A 24 160.662 -6.525 -2.433 1.00 0.00 C ATOM 373 C MET A 24 159.351 -5.801 -2.143 1.00 0.00 C ATOM 374 O MET A 24 158.327 -6.436 -1.890 1.00 0.00 O ATOM 375 CB MET A 24 161.666 -6.231 -1.315 1.00 0.00 C ATOM 376 CG MET A 24 162.630 -7.373 -1.043 1.00 0.00 C ATOM 377 SD MET A 24 163.062 -7.514 0.703 1.00 0.00 S ATOM 378 CE MET A 24 161.439 -7.654 1.446 1.00 0.00 C ATOM 0 H MET A 24 162.083 -5.616 -3.689 1.00 0.00 H new ATOM 0 HA MET A 24 160.462 -7.596 -2.469 1.00 0.00 H new ATOM 0 HB2 MET A 24 162.237 -5.340 -1.577 1.00 0.00 H new ATOM 0 HB3 MET A 24 161.120 -6.002 -0.400 1.00 0.00 H new ATOM 0 HG2 MET A 24 162.184 -8.309 -1.380 1.00 0.00 H new ATOM 0 HG3 MET A 24 163.538 -7.224 -1.627 1.00 0.00 H new ATOM 0 HE1 MET A 24 161.502 -8.266 2.346 1.00 0.00 H new ATOM 0 HE2 MET A 24 161.071 -6.662 1.707 1.00 0.00 H new ATOM 0 HE3 MET A 24 160.754 -8.120 0.738 1.00 0.00 H new ATOM 388 N ALA A 25 159.393 -4.472 -2.163 1.00 0.00 N ATOM 389 CA ALA A 25 158.205 -3.663 -1.882 1.00 0.00 C ATOM 390 C ALA A 25 156.978 -4.179 -2.630 1.00 0.00 C ATOM 391 O ALA A 25 157.084 -5.033 -3.509 1.00 0.00 O ATOM 392 CB ALA A 25 158.453 -2.203 -2.227 1.00 0.00 C ATOM 0 H ALA A 25 160.233 -3.931 -2.370 1.00 0.00 H new ATOM 0 HA ALA A 25 158.004 -3.745 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 25 157.557 -1.621 -2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 25 159.284 -1.825 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 25 158.695 -2.115 -3.286 1.00 0.00 H new ATOM 398 N GLY A 26 155.814 -3.652 -2.265 1.00 0.00 N ATOM 399 CA GLY A 26 154.576 -4.064 -2.898 1.00 0.00 C ATOM 400 C GLY A 26 153.415 -4.066 -1.925 1.00 0.00 C ATOM 401 O GLY A 26 152.346 -3.528 -2.218 1.00 0.00 O ATOM 0 H GLY A 26 155.707 -2.944 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 26 154.352 -3.394 -3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 26 154.698 -5.062 -3.319 1.00 0.00 H new ATOM 405 N GLU A 27 153.629 -4.669 -0.760 1.00 0.00 N ATOM 406 CA GLU A 27 152.599 -4.739 0.270 1.00 0.00 C ATOM 407 C GLU A 27 153.221 -4.678 1.663 1.00 0.00 C ATOM 408 O GLU A 27 152.629 -5.145 2.637 1.00 0.00 O ATOM 409 CB GLU A 27 151.785 -6.025 0.121 1.00 0.00 C ATOM 410 CG GLU A 27 150.898 -6.046 -1.114 1.00 0.00 C ATOM 411 CD GLU A 27 150.560 -7.453 -1.565 1.00 0.00 C ATOM 412 OE1 GLU A 27 149.704 -8.094 -0.920 1.00 0.00 O ATOM 413 OE2 GLU A 27 151.151 -7.914 -2.564 1.00 0.00 O ATOM 0 H GLU A 27 154.509 -5.117 -0.505 1.00 0.00 H new ATOM 0 HA GLU A 27 151.937 -3.882 0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 27 152.467 -6.874 0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 27 151.163 -6.156 1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 27 149.976 -5.504 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 27 151.399 -5.519 -1.926 1.00 0.00 H new ATOM 420 N ASN A 28 154.418 -4.104 1.751 1.00 0.00 N ATOM 421 CA ASN A 28 155.117 -3.987 3.025 1.00 0.00 C ATOM 422 C ASN A 28 155.016 -2.569 3.577 1.00 0.00 C ATOM 423 O ASN A 28 154.695 -2.372 4.749 1.00 0.00 O ATOM 424 CB ASN A 28 156.586 -4.380 2.863 1.00 0.00 C ATOM 425 CG ASN A 28 156.751 -5.738 2.208 1.00 0.00 C ATOM 426 OD1 ASN A 28 156.968 -6.744 2.884 1.00 0.00 O ATOM 427 ND2 ASN A 28 156.649 -5.773 0.884 1.00 0.00 N ATOM 0 H ASN A 28 154.923 -3.713 0.955 1.00 0.00 H new ATOM 0 HA ASN A 28 154.642 -4.666 3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 28 157.097 -3.626 2.264 1.00 0.00 H new ATOM 0 HB3 ASN A 28 157.067 -4.390 3.841 1.00 0.00 H new ATOM 0 HD21 ASN A 28 156.751 -6.658 0.388 1.00 0.00 H new ATOM 0 HD22 ASN A 28 156.468 -4.915 0.364 1.00 0.00 H new ATOM 434 N LEU A 29 155.292 -1.584 2.728 1.00 0.00 N ATOM 435 CA LEU A 29 155.229 -0.186 3.140 1.00 0.00 C ATOM 436 C LEU A 29 153.825 0.369 2.958 1.00 0.00 C ATOM 437 O LEU A 29 153.132 0.030 1.999 1.00 0.00 O ATOM 438 CB LEU A 29 156.223 0.659 2.339 1.00 0.00 C ATOM 439 CG LEU A 29 156.687 1.942 3.033 1.00 0.00 C ATOM 440 CD1 LEU A 29 157.931 2.497 2.355 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.574 2.980 3.053 1.00 0.00 C ATOM 0 H LEU A 29 155.560 -1.727 1.754 1.00 0.00 H new ATOM 0 HA LEU A 29 155.493 -0.139 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 29 157.098 0.049 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 29 155.766 0.924 1.386 1.00 0.00 H new ATOM 0 HG LEU A 29 156.940 1.699 4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 29 158.246 3.409 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.732 1.759 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 29 157.708 2.721 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.927 3.883 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 29 155.282 3.220 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.714 2.581 3.592 1.00 0.00 H new ATOM 453 N ASP A 30 153.410 1.226 3.887 1.00 0.00 N ATOM 454 CA ASP A 30 152.086 1.836 3.835 1.00 0.00 C ATOM 455 C ASP A 30 151.752 2.307 2.418 1.00 0.00 C ATOM 456 O ASP A 30 152.646 2.653 1.645 1.00 0.00 O ATOM 457 CB ASP A 30 152.009 3.012 4.813 1.00 0.00 C ATOM 458 CG ASP A 30 150.933 2.820 5.864 1.00 0.00 C ATOM 459 OD1 ASP A 30 150.794 1.687 6.371 1.00 0.00 O ATOM 460 OD2 ASP A 30 150.229 3.803 6.179 1.00 0.00 O ATOM 0 H ASP A 30 153.974 1.514 4.687 1.00 0.00 H new ATOM 0 HA ASP A 30 151.353 1.082 4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 30 152.974 3.137 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 30 151.812 3.930 4.259 1.00 0.00 H new ATOM 465 N PRO A 31 150.457 2.326 2.056 1.00 0.00 N ATOM 466 CA PRO A 31 150.015 2.756 0.726 1.00 0.00 C ATOM 467 C PRO A 31 150.547 4.137 0.349 1.00 0.00 C ATOM 468 O PRO A 31 150.580 4.498 -0.827 1.00 0.00 O ATOM 469 CB PRO A 31 148.482 2.782 0.835 1.00 0.00 C ATOM 470 CG PRO A 31 148.181 2.689 2.294 1.00 0.00 C ATOM 471 CD PRO A 31 149.323 1.933 2.904 1.00 0.00 C ATOM 0 HA PRO A 31 150.385 2.088 -0.052 1.00 0.00 H new ATOM 0 HB2 PRO A 31 148.074 3.698 0.408 1.00 0.00 H new ATOM 0 HB3 PRO A 31 148.036 1.951 0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 31 148.088 3.680 2.737 1.00 0.00 H new ATOM 0 HG3 PRO A 31 147.236 2.174 2.465 1.00 0.00 H new ATOM 0 HD2 PRO A 31 149.481 2.209 3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 31 149.154 0.856 2.882 1.00 0.00 H new ATOM 479 N ALA A 32 150.962 4.907 1.352 1.00 0.00 N ATOM 480 CA ALA A 32 151.490 6.247 1.120 1.00 0.00 C ATOM 481 C ALA A 32 152.641 6.228 0.116 1.00 0.00 C ATOM 482 O ALA A 32 152.668 7.024 -0.822 1.00 0.00 O ATOM 483 CB ALA A 32 151.945 6.868 2.432 1.00 0.00 C ATOM 0 H ALA A 32 150.943 4.625 2.332 1.00 0.00 H new ATOM 0 HA ALA A 32 150.689 6.853 0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 32 152.337 7.868 2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 32 151.099 6.932 3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 32 152.725 6.250 2.876 1.00 0.00 H new ATOM 489 N ASP A 33 153.592 5.321 0.322 1.00 0.00 N ATOM 490 CA ASP A 33 154.746 5.209 -0.565 1.00 0.00 C ATOM 491 C ASP A 33 154.368 4.558 -1.891 1.00 0.00 C ATOM 492 O ASP A 33 154.985 4.824 -2.919 1.00 0.00 O ATOM 493 CB ASP A 33 155.865 4.405 0.111 1.00 0.00 C ATOM 494 CG ASP A 33 155.733 2.907 -0.104 1.00 0.00 C ATOM 495 OD1 ASP A 33 154.613 2.379 0.066 1.00 0.00 O ATOM 496 OD2 ASP A 33 156.747 2.264 -0.445 1.00 0.00 O ATOM 0 H ASP A 33 153.586 4.654 1.094 1.00 0.00 H new ATOM 0 HA ASP A 33 155.103 6.218 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 33 156.828 4.738 -0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 33 155.860 4.615 1.181 1.00 0.00 H new ATOM 501 N ILE A 34 153.352 3.704 -1.860 1.00 0.00 N ATOM 502 CA ILE A 34 152.901 3.016 -3.061 1.00 0.00 C ATOM 503 C ILE A 34 152.472 4.014 -4.132 1.00 0.00 C ATOM 504 O ILE A 34 152.903 3.929 -5.282 1.00 0.00 O ATOM 505 CB ILE A 34 151.738 2.055 -2.746 1.00 0.00 C ATOM 506 CG1 ILE A 34 152.194 1.004 -1.731 1.00 0.00 C ATOM 507 CG2 ILE A 34 151.229 1.393 -4.018 1.00 0.00 C ATOM 508 CD1 ILE A 34 151.140 -0.034 -1.409 1.00 0.00 C ATOM 0 H ILE A 34 152.826 3.472 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 34 153.741 2.434 -3.440 1.00 0.00 H new ATOM 0 HB ILE A 34 150.916 2.625 -2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 34 153.080 0.500 -2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 34 152.489 1.506 -0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 34 150.408 0.719 -3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 34 150.877 2.158 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 34 152.037 0.828 -4.482 1.00 0.00 H new ATOM 0 HD11 ILE A 34 151.538 -0.743 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 34 150.261 0.457 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 34 150.861 -0.564 -2.320 1.00 0.00 H new ATOM 520 N LEU A 35 151.626 4.959 -3.745 1.00 0.00 N ATOM 521 CA LEU A 35 151.145 5.975 -4.671 1.00 0.00 C ATOM 522 C LEU A 35 152.238 7.001 -4.965 1.00 0.00 C ATOM 523 O LEU A 35 152.437 7.393 -6.112 1.00 0.00 O ATOM 524 CB LEU A 35 149.901 6.669 -4.099 1.00 0.00 C ATOM 525 CG LEU A 35 149.646 8.101 -4.598 1.00 0.00 C ATOM 526 CD1 LEU A 35 148.450 8.146 -5.540 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.443 9.043 -3.421 1.00 0.00 C ATOM 0 H LEU A 35 151.259 5.043 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 35 150.875 5.486 -5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.028 6.061 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 35 149.988 6.693 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 35 150.522 8.430 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 35 148.292 9.170 -5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 35 148.640 7.505 -6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 35 147.561 7.795 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 35 149.264 10.053 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 35 148.585 8.713 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.334 9.039 -2.794 1.00 0.00 H new ATOM 539 N LEU A 36 152.954 7.422 -3.929 1.00 0.00 N ATOM 540 CA LEU A 36 154.029 8.395 -4.098 1.00 0.00 C ATOM 541 C LEU A 36 155.067 7.877 -5.087 1.00 0.00 C ATOM 542 O LEU A 36 155.252 8.442 -6.163 1.00 0.00 O ATOM 543 CB LEU A 36 154.688 8.707 -2.751 1.00 0.00 C ATOM 544 CG LEU A 36 154.719 10.190 -2.371 1.00 0.00 C ATOM 545 CD1 LEU A 36 153.343 10.818 -2.540 1.00 0.00 C ATOM 546 CD2 LEU A 36 155.211 10.363 -0.942 1.00 0.00 C ATOM 0 H LEU A 36 152.812 7.108 -2.969 1.00 0.00 H new ATOM 0 HA LEU A 36 153.600 9.315 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 36 154.160 8.159 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.711 8.331 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 36 155.412 10.700 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 36 153.388 11.872 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 36 153.027 10.728 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 36 152.628 10.305 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 36 155.227 11.423 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 36 154.542 9.837 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 36 156.217 9.953 -0.851 1.00 0.00 H new ATOM 558 N PHE A 37 155.732 6.789 -4.716 1.00 0.00 N ATOM 559 CA PHE A 37 156.748 6.179 -5.569 1.00 0.00 C ATOM 560 C PHE A 37 156.263 6.072 -7.015 1.00 0.00 C ATOM 561 O PHE A 37 157.061 6.107 -7.952 1.00 0.00 O ATOM 562 CB PHE A 37 157.102 4.786 -5.050 1.00 0.00 C ATOM 563 CG PHE A 37 158.267 4.761 -4.104 1.00 0.00 C ATOM 564 CD1 PHE A 37 159.511 5.215 -4.508 1.00 0.00 C ATOM 565 CD2 PHE A 37 158.125 4.258 -2.820 1.00 0.00 C ATOM 566 CE1 PHE A 37 160.593 5.166 -3.651 1.00 0.00 C ATOM 567 CE2 PHE A 37 159.204 4.212 -1.957 1.00 0.00 C ATOM 568 CZ PHE A 37 160.440 4.664 -2.376 1.00 0.00 C ATOM 0 H PHE A 37 155.586 6.309 -3.828 1.00 0.00 H new ATOM 0 HA PHE A 37 157.632 6.817 -5.544 1.00 0.00 H new ATOM 0 HB2 PHE A 37 156.231 4.365 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 37 157.324 4.139 -5.899 1.00 0.00 H new ATOM 0 HD1 PHE A 37 159.637 5.612 -5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 37 157.161 3.898 -2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 37 161.559 5.521 -3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 37 159.081 3.823 -0.957 1.00 0.00 H new ATOM 0 HZ PHE A 37 161.286 4.624 -1.706 1.00 0.00 H new ATOM 578 N ASN A 38 154.951 5.929 -7.184 1.00 0.00 N ATOM 579 CA ASN A 38 154.357 5.803 -8.511 1.00 0.00 C ATOM 580 C ASN A 38 154.454 7.111 -9.296 1.00 0.00 C ATOM 581 O ASN A 38 155.364 7.290 -10.105 1.00 0.00 O ATOM 582 CB ASN A 38 152.895 5.362 -8.396 1.00 0.00 C ATOM 583 CG ASN A 38 152.706 3.896 -8.733 1.00 0.00 C ATOM 584 OD1 ASN A 38 151.932 3.547 -9.624 1.00 0.00 O ATOM 585 ND2 ASN A 38 153.413 3.029 -8.019 1.00 0.00 N ATOM 0 H ASN A 38 154.279 5.898 -6.417 1.00 0.00 H new ATOM 0 HA ASN A 38 154.918 5.045 -9.057 1.00 0.00 H new ATOM 0 HB2 ASN A 38 152.541 5.548 -7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 38 152.282 5.968 -9.064 1.00 0.00 H new ATOM 0 HD21 ASN A 38 153.326 2.029 -8.200 1.00 0.00 H new ATOM 0 HD22 ASN A 38 154.043 3.363 -7.290 1.00 0.00 H new ATOM 592 N LEU A 39 153.503 8.016 -9.070 1.00 0.00 N ATOM 593 CA LEU A 39 153.482 9.287 -9.774 1.00 0.00 C ATOM 594 C LEU A 39 154.688 10.166 -9.436 1.00 0.00 C ATOM 595 O LEU A 39 154.905 11.190 -10.084 1.00 0.00 O ATOM 596 CB LEU A 39 152.180 10.052 -9.509 1.00 0.00 C ATOM 597 CG LEU A 39 151.578 9.945 -8.108 1.00 0.00 C ATOM 598 CD1 LEU A 39 150.707 8.706 -8.024 1.00 0.00 C ATOM 599 CD2 LEU A 39 152.658 9.946 -7.031 1.00 0.00 C ATOM 0 H LEU A 39 152.740 7.888 -8.405 1.00 0.00 H new ATOM 0 HA LEU A 39 153.538 9.047 -10.836 1.00 0.00 H new ATOM 0 HB2 LEU A 39 152.359 11.106 -9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 39 151.434 9.706 -10.224 1.00 0.00 H new ATOM 0 HG LEU A 39 150.957 10.822 -7.926 1.00 0.00 H new ATOM 0 HD11 LEU A 39 150.278 8.630 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 39 149.905 8.774 -8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 39 151.311 7.822 -8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 39 152.192 9.869 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 39 153.325 9.098 -7.184 1.00 0.00 H new ATOM 0 HD23 LEU A 39 153.229 10.872 -7.090 1.00 0.00 H new ATOM 611 N GLN A 40 155.475 9.778 -8.432 1.00 0.00 N ATOM 612 CA GLN A 40 156.646 10.568 -8.057 1.00 0.00 C ATOM 613 C GLN A 40 157.755 9.709 -7.445 1.00 0.00 C ATOM 614 O GLN A 40 157.596 9.128 -6.372 1.00 0.00 O ATOM 615 CB GLN A 40 156.250 11.689 -7.090 1.00 0.00 C ATOM 616 CG GLN A 40 155.658 11.197 -5.778 1.00 0.00 C ATOM 617 CD GLN A 40 155.143 12.331 -4.909 1.00 0.00 C ATOM 618 OE1 GLN A 40 153.995 12.755 -5.044 1.00 0.00 O ATOM 619 NE2 GLN A 40 155.986 12.829 -4.009 1.00 0.00 N ATOM 0 H GLN A 40 155.327 8.937 -7.873 1.00 0.00 H new ATOM 0 HA GLN A 40 157.042 11.006 -8.973 1.00 0.00 H new ATOM 0 HB2 GLN A 40 157.129 12.296 -6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 40 155.526 12.339 -7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 40 154.842 10.506 -5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 40 156.416 10.638 -5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 40 156.929 12.449 -3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 40 155.689 13.591 -3.399 1.00 0.00 H new ATOM 628 N PHE A 41 158.888 9.664 -8.140 1.00 0.00 N ATOM 629 CA PHE A 41 160.062 8.914 -7.696 1.00 0.00 C ATOM 630 C PHE A 41 161.263 9.264 -8.568 1.00 0.00 C ATOM 631 O PHE A 41 162.386 9.381 -8.083 1.00 0.00 O ATOM 632 CB PHE A 41 159.822 7.401 -7.742 1.00 0.00 C ATOM 633 CG PHE A 41 161.017 6.607 -7.279 1.00 0.00 C ATOM 634 CD1 PHE A 41 161.788 7.055 -6.218 1.00 0.00 C ATOM 635 CD2 PHE A 41 161.375 5.423 -7.907 1.00 0.00 C ATOM 636 CE1 PHE A 41 162.892 6.341 -5.790 1.00 0.00 C ATOM 637 CE2 PHE A 41 162.480 4.703 -7.483 1.00 0.00 C ATOM 638 CZ PHE A 41 163.240 5.164 -6.422 1.00 0.00 C ATOM 0 H PHE A 41 159.020 10.147 -9.029 1.00 0.00 H new ATOM 0 HA PHE A 41 160.259 9.194 -6.661 1.00 0.00 H new ATOM 0 HB2 PHE A 41 158.963 7.155 -7.117 1.00 0.00 H new ATOM 0 HB3 PHE A 41 159.569 7.108 -8.761 1.00 0.00 H new ATOM 0 HD1 PHE A 41 161.523 7.975 -5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 41 160.786 5.059 -8.736 1.00 0.00 H new ATOM 0 HE1 PHE A 41 163.482 6.704 -4.961 1.00 0.00 H new ATOM 0 HE2 PHE A 41 162.748 3.782 -7.980 1.00 0.00 H new ATOM 0 HZ PHE A 41 164.102 4.605 -6.090 1.00 0.00 H new ATOM 648 N GLU A 42 161.010 9.428 -9.862 1.00 0.00 N ATOM 649 CA GLU A 42 162.060 9.766 -10.814 1.00 0.00 C ATOM 650 C GLU A 42 162.779 11.048 -10.401 1.00 0.00 C ATOM 651 O GLU A 42 163.966 11.029 -10.077 1.00 0.00 O ATOM 652 CB GLU A 42 161.472 9.927 -12.218 1.00 0.00 C ATOM 653 CG GLU A 42 162.518 10.176 -13.291 1.00 0.00 C ATOM 654 CD GLU A 42 162.053 9.748 -14.669 1.00 0.00 C ATOM 655 OE1 GLU A 42 162.115 8.536 -14.967 1.00 0.00 O ATOM 656 OE2 GLU A 42 161.627 10.624 -15.451 1.00 0.00 O ATOM 0 H GLU A 42 160.083 9.332 -10.276 1.00 0.00 H new ATOM 0 HA GLU A 42 162.784 8.951 -10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 42 160.910 9.029 -12.472 1.00 0.00 H new ATOM 0 HB3 GLU A 42 160.764 10.756 -12.213 1.00 0.00 H new ATOM 0 HG2 GLU A 42 162.769 11.237 -13.309 1.00 0.00 H new ATOM 0 HG3 GLU A 42 163.430 9.637 -13.036 1.00 0.00 H new ATOM 663 N GLU A 43 162.053 12.162 -10.422 1.00 0.00 N ATOM 664 CA GLU A 43 162.621 13.456 -10.058 1.00 0.00 C ATOM 665 C GLU A 43 162.992 13.510 -8.578 1.00 0.00 C ATOM 666 O GLU A 43 164.029 14.064 -8.211 1.00 0.00 O ATOM 667 CB GLU A 43 161.636 14.579 -10.388 1.00 0.00 C ATOM 668 CG GLU A 43 162.301 15.826 -10.947 1.00 0.00 C ATOM 669 CD GLU A 43 162.184 15.922 -12.456 1.00 0.00 C ATOM 670 OE1 GLU A 43 161.087 16.264 -12.945 1.00 0.00 O ATOM 671 OE2 GLU A 43 163.189 15.655 -13.147 1.00 0.00 O ATOM 0 H GLU A 43 161.069 12.194 -10.688 1.00 0.00 H new ATOM 0 HA GLU A 43 163.533 13.591 -10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 43 160.907 14.211 -11.110 1.00 0.00 H new ATOM 0 HB3 GLU A 43 161.085 14.844 -9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 43 161.849 16.708 -10.494 1.00 0.00 H new ATOM 0 HG3 GLU A 43 163.354 15.828 -10.667 1.00 0.00 H new ATOM 678 N ARG A 44 162.143 12.937 -7.729 1.00 0.00 N ATOM 679 CA ARG A 44 162.394 12.933 -6.290 1.00 0.00 C ATOM 680 C ARG A 44 163.065 11.633 -5.853 1.00 0.00 C ATOM 681 O ARG A 44 162.905 11.193 -4.715 1.00 0.00 O ATOM 682 CB ARG A 44 161.084 13.129 -5.524 1.00 0.00 C ATOM 683 CG ARG A 44 160.403 14.457 -5.815 1.00 0.00 C ATOM 684 CD ARG A 44 161.172 15.622 -5.213 1.00 0.00 C ATOM 685 NE ARG A 44 160.399 16.862 -5.241 1.00 0.00 N ATOM 686 CZ ARG A 44 160.226 17.604 -6.333 1.00 0.00 C ATOM 687 NH1 ARG A 44 160.767 17.235 -7.487 1.00 0.00 N ATOM 688 NH2 ARG A 44 159.509 18.718 -6.270 1.00 0.00 N ATOM 0 H ARG A 44 161.280 12.472 -8.010 1.00 0.00 H new ATOM 0 HA ARG A 44 163.068 13.759 -6.063 1.00 0.00 H new ATOM 0 HB2 ARG A 44 160.401 12.317 -5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 44 161.284 13.059 -4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 44 160.317 14.595 -6.893 1.00 0.00 H new ATOM 0 HG3 ARG A 44 159.390 14.443 -5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 44 161.441 15.386 -4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 44 162.104 15.763 -5.761 1.00 0.00 H new ATOM 0 HE ARG A 44 159.967 17.178 -4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 44 161.319 16.379 -7.541 1.00 0.00 H new ATOM 0 HH12 ARG A 44 160.631 17.807 -8.320 1.00 0.00 H new ATOM 0 HH21 ARG A 44 159.091 19.006 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 44 159.376 19.287 -7.106 1.00 0.00 H new ATOM 702 N GLY A 45 163.816 11.025 -6.764 1.00 0.00 N ATOM 703 CA GLY A 45 164.498 9.782 -6.453 1.00 0.00 C ATOM 704 C GLY A 45 165.926 9.999 -6.003 1.00 0.00 C ATOM 705 O GLY A 45 166.740 10.557 -6.739 1.00 0.00 O ATOM 0 H GLY A 45 163.965 11.370 -7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 45 163.950 9.257 -5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 45 164.492 9.139 -7.333 1.00 0.00 H new ATOM 709 N GLY A 46 166.233 9.549 -4.792 1.00 0.00 N ATOM 710 CA GLY A 46 167.573 9.695 -4.263 1.00 0.00 C ATOM 711 C GLY A 46 167.925 8.599 -3.279 1.00 0.00 C ATOM 712 O GLY A 46 167.569 8.677 -2.103 1.00 0.00 O ATOM 0 H GLY A 46 165.575 9.085 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 46 168.289 9.686 -5.085 1.00 0.00 H new ATOM 0 HA3 GLY A 46 167.664 10.664 -3.772 1.00 0.00 H new ATOM 716 N VAL A 47 168.636 7.581 -3.750 1.00 0.00 N ATOM 717 CA VAL A 47 169.044 6.477 -2.892 1.00 0.00 C ATOM 718 C VAL A 47 170.444 6.731 -2.346 1.00 0.00 C ATOM 719 O VAL A 47 171.440 6.481 -3.024 1.00 0.00 O ATOM 720 CB VAL A 47 169.020 5.136 -3.650 1.00 0.00 C ATOM 721 CG1 VAL A 47 169.251 3.976 -2.694 1.00 0.00 C ATOM 722 CG2 VAL A 47 167.703 4.969 -4.398 1.00 0.00 C ATOM 0 H VAL A 47 168.941 7.498 -4.720 1.00 0.00 H new ATOM 0 HA VAL A 47 168.334 6.415 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 47 169.829 5.138 -4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 47 169.230 3.038 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 47 170.221 4.091 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 47 168.467 3.967 -1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 47 167.704 4.016 -4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 47 166.876 4.989 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 47 167.586 5.782 -5.114 1.00 0.00 H new ATOM 732 N GLU A 48 170.510 7.253 -1.125 1.00 0.00 N ATOM 733 CA GLU A 48 171.789 7.570 -0.497 1.00 0.00 C ATOM 734 C GLU A 48 172.434 6.339 0.127 1.00 0.00 C ATOM 735 O GLU A 48 171.767 5.535 0.779 1.00 0.00 O ATOM 736 CB GLU A 48 171.599 8.651 0.569 1.00 0.00 C ATOM 737 CG GLU A 48 172.902 9.271 1.047 1.00 0.00 C ATOM 738 CD GLU A 48 173.580 10.100 -0.026 1.00 0.00 C ATOM 739 OE1 GLU A 48 174.212 9.506 -0.924 1.00 0.00 O ATOM 740 OE2 GLU A 48 173.479 11.344 0.033 1.00 0.00 O ATOM 0 H GLU A 48 169.694 7.465 -0.551 1.00 0.00 H new ATOM 0 HA GLU A 48 172.455 7.938 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 48 170.959 9.436 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 48 171.077 8.219 1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 48 172.704 9.899 1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 48 173.579 8.481 1.372 1.00 0.00 H new ATOM 747 N PHE A 49 173.743 6.207 -0.069 1.00 0.00 N ATOM 748 CA PHE A 49 174.494 5.087 0.481 1.00 0.00 C ATOM 749 C PHE A 49 175.068 5.449 1.845 1.00 0.00 C ATOM 750 O PHE A 49 175.897 6.352 1.962 1.00 0.00 O ATOM 751 CB PHE A 49 175.622 4.685 -0.472 1.00 0.00 C ATOM 752 CG PHE A 49 176.459 3.548 0.038 1.00 0.00 C ATOM 753 CD1 PHE A 49 175.930 2.272 0.134 1.00 0.00 C ATOM 754 CD2 PHE A 49 177.773 3.757 0.426 1.00 0.00 C ATOM 755 CE1 PHE A 49 176.695 1.224 0.606 1.00 0.00 C ATOM 756 CE2 PHE A 49 178.543 2.712 0.899 1.00 0.00 C ATOM 757 CZ PHE A 49 178.003 1.444 0.989 1.00 0.00 C ATOM 0 H PHE A 49 174.306 6.866 -0.607 1.00 0.00 H new ATOM 0 HA PHE A 49 173.815 4.243 0.600 1.00 0.00 H new ATOM 0 HB2 PHE A 49 175.192 4.406 -1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.264 5.548 -0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 49 174.907 2.094 -0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 49 178.199 4.747 0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 49 176.271 0.233 0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 49 179.566 2.886 1.198 1.00 0.00 H new ATOM 0 HZ PHE A 49 178.603 0.626 1.358 1.00 0.00 H new ATOM 767 N VAL A 50 174.619 4.743 2.874 1.00 0.00 N ATOM 768 CA VAL A 50 175.083 4.990 4.234 1.00 0.00 C ATOM 769 C VAL A 50 175.994 3.863 4.712 1.00 0.00 C ATOM 770 O VAL A 50 176.416 3.013 3.926 1.00 0.00 O ATOM 771 CB VAL A 50 173.905 5.148 5.226 1.00 0.00 C ATOM 772 CG1 VAL A 50 173.985 6.486 5.945 1.00 0.00 C ATOM 773 CG2 VAL A 50 172.565 5.003 4.516 1.00 0.00 C ATOM 0 H VAL A 50 173.932 3.993 2.793 1.00 0.00 H new ATOM 0 HA VAL A 50 175.642 5.925 4.209 1.00 0.00 H new ATOM 0 HB VAL A 50 173.982 4.352 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 50 173.148 6.578 6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 50 174.922 6.546 6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 50 173.942 7.294 5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 50 171.756 5.119 5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 50 172.476 5.769 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 50 172.502 4.017 4.056 1.00 0.00 H new ATOM 783 N GLU A 51 176.280 3.849 6.008 1.00 0.00 N ATOM 784 CA GLU A 51 177.129 2.821 6.591 1.00 0.00 C ATOM 785 C GLU A 51 176.525 2.303 7.889 1.00 0.00 C ATOM 786 O GLU A 51 175.775 3.012 8.561 1.00 0.00 O ATOM 787 CB GLU A 51 178.532 3.375 6.851 1.00 0.00 C ATOM 788 CG GLU A 51 179.515 3.091 5.728 1.00 0.00 C ATOM 789 CD GLU A 51 180.957 3.118 6.197 1.00 0.00 C ATOM 790 OE1 GLU A 51 181.459 4.219 6.509 1.00 0.00 O ATOM 791 OE2 GLU A 51 181.584 2.040 6.252 1.00 0.00 O ATOM 0 H GLU A 51 175.935 4.539 6.675 1.00 0.00 H new ATOM 0 HA GLU A 51 177.201 1.994 5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 51 178.466 4.453 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 51 178.917 2.947 7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 51 179.295 2.115 5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 51 179.380 3.828 4.936 1.00 0.00 H new ATOM 798 N THR A 52 176.851 1.066 8.238 1.00 0.00 N ATOM 799 CA THR A 52 176.335 0.459 9.457 1.00 0.00 C ATOM 800 C THR A 52 176.672 1.313 10.677 1.00 0.00 C ATOM 801 O THR A 52 177.548 2.176 10.626 1.00 0.00 O ATOM 802 CB THR A 52 176.892 -0.959 9.618 1.00 0.00 C ATOM 803 OG1 THR A 52 176.346 -1.821 8.635 1.00 0.00 O ATOM 804 CG2 THR A 52 176.608 -1.577 10.973 1.00 0.00 C ATOM 0 H THR A 52 177.470 0.464 7.695 1.00 0.00 H new ATOM 0 HA THR A 52 175.249 0.401 9.379 1.00 0.00 H new ATOM 0 HB THR A 52 177.971 -0.855 9.509 1.00 0.00 H new ATOM 0 HG1 THR A 52 176.593 -1.498 7.743 1.00 0.00 H new ATOM 0 HG21 THR A 52 177.033 -2.580 11.012 1.00 0.00 H new ATOM 0 HG22 THR A 52 177.056 -0.963 11.754 1.00 0.00 H new ATOM 0 HG23 THR A 52 175.531 -1.633 11.129 1.00 0.00 H new ATOM 812 N ALA A 53 175.960 1.065 11.768 1.00 0.00 N ATOM 813 CA ALA A 53 176.158 1.802 13.009 1.00 0.00 C ATOM 814 C ALA A 53 176.892 0.952 14.039 1.00 0.00 C ATOM 815 O ALA A 53 177.657 0.053 13.688 1.00 0.00 O ATOM 816 CB ALA A 53 174.809 2.227 13.563 1.00 0.00 C ATOM 0 H ALA A 53 175.233 0.351 11.818 1.00 0.00 H new ATOM 0 HA ALA A 53 176.766 2.681 12.797 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.955 2.779 14.492 1.00 0.00 H new ATOM 0 HB2 ALA A 53 174.302 2.864 12.838 1.00 0.00 H new ATOM 0 HB3 ALA A 53 174.201 1.344 13.757 1.00 0.00 H new ATOM 822 N ASP A 54 176.628 1.223 15.317 1.00 0.00 N ATOM 823 CA ASP A 54 177.233 0.467 16.399 1.00 0.00 C ATOM 824 C ASP A 54 176.349 -0.727 16.752 1.00 0.00 C ATOM 825 O ASP A 54 176.309 -1.165 17.901 1.00 0.00 O ATOM 826 CB ASP A 54 177.435 1.360 17.626 1.00 0.00 C ATOM 827 CG ASP A 54 178.887 1.748 17.825 1.00 0.00 C ATOM 828 OD1 ASP A 54 179.486 2.309 16.883 1.00 0.00 O ATOM 829 OD2 ASP A 54 179.424 1.492 18.923 1.00 0.00 O ATOM 0 H ASP A 54 175.997 1.964 15.623 1.00 0.00 H new ATOM 0 HA ASP A 54 178.208 0.103 16.074 1.00 0.00 H new ATOM 0 HB2 ASP A 54 176.832 2.262 17.519 1.00 0.00 H new ATOM 0 HB3 ASP A 54 177.076 0.840 18.514 1.00 0.00 H new ATOM 834 N ASP A 55 175.648 -1.253 15.741 1.00 0.00 N ATOM 835 CA ASP A 55 174.764 -2.407 15.913 1.00 0.00 C ATOM 836 C ASP A 55 173.427 -1.999 16.519 1.00 0.00 C ATOM 837 O ASP A 55 173.259 -2.013 17.738 1.00 0.00 O ATOM 838 CB ASP A 55 175.421 -3.482 16.787 1.00 0.00 C ATOM 839 CG ASP A 55 176.848 -3.782 16.368 1.00 0.00 C ATOM 840 OD1 ASP A 55 177.761 -3.047 16.799 1.00 0.00 O ATOM 841 OD2 ASP A 55 177.052 -4.755 15.613 1.00 0.00 O ATOM 0 H ASP A 55 175.678 -0.892 14.787 1.00 0.00 H new ATOM 0 HA ASP A 55 174.583 -2.821 14.921 1.00 0.00 H new ATOM 0 HB2 ASP A 55 175.413 -3.155 17.827 1.00 0.00 H new ATOM 0 HB3 ASP A 55 174.831 -4.397 16.736 1.00 0.00 H new ATOM 846 N TRP A 56 172.474 -1.644 15.661 1.00 0.00 N ATOM 847 CA TRP A 56 171.153 -1.248 16.128 1.00 0.00 C ATOM 848 C TRP A 56 170.167 -2.409 16.043 1.00 0.00 C ATOM 849 O TRP A 56 169.043 -2.253 15.565 1.00 0.00 O ATOM 850 CB TRP A 56 170.622 -0.040 15.350 1.00 0.00 C ATOM 851 CG TRP A 56 170.884 -0.067 13.875 1.00 0.00 C ATOM 852 CD1 TRP A 56 172.048 0.253 13.237 1.00 0.00 C ATOM 853 CD2 TRP A 56 169.944 -0.402 12.850 1.00 0.00 C ATOM 854 NE1 TRP A 56 171.887 0.139 11.876 1.00 0.00 N ATOM 855 CE2 TRP A 56 170.602 -0.262 11.614 1.00 0.00 C ATOM 856 CE3 TRP A 56 168.610 -0.808 12.861 1.00 0.00 C ATOM 857 CZ2 TRP A 56 169.964 -0.511 10.401 1.00 0.00 C ATOM 858 CZ3 TRP A 56 167.978 -1.058 11.659 1.00 0.00 C ATOM 859 CH2 TRP A 56 168.654 -0.908 10.442 1.00 0.00 C ATOM 0 H TRP A 56 172.592 -1.623 14.648 1.00 0.00 H new ATOM 0 HA TRP A 56 171.254 -0.959 17.174 1.00 0.00 H new ATOM 0 HB2 TRP A 56 169.546 0.031 15.511 1.00 0.00 H new ATOM 0 HB3 TRP A 56 171.067 0.864 15.766 1.00 0.00 H new ATOM 0 HD1 TRP A 56 172.962 0.552 13.729 1.00 0.00 H new ATOM 0 HE1 TRP A 56 172.606 0.323 11.176 1.00 0.00 H new ATOM 0 HE3 TRP A 56 168.080 -0.925 13.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 170.484 -0.395 9.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 166.945 -1.374 11.658 1.00 0.00 H new ATOM 0 HH2 TRP A 56 168.132 -1.109 9.518 1.00 0.00 H new ATOM 870 N GLU A 57 170.599 -3.571 16.525 1.00 0.00 N ATOM 871 CA GLU A 57 169.766 -4.772 16.528 1.00 0.00 C ATOM 872 C GLU A 57 168.612 -4.620 17.520 1.00 0.00 C ATOM 873 O GLU A 57 168.503 -5.380 18.483 1.00 0.00 O ATOM 874 CB GLU A 57 170.615 -5.991 16.898 1.00 0.00 C ATOM 875 CG GLU A 57 171.245 -5.898 18.278 1.00 0.00 C ATOM 876 CD GLU A 57 171.160 -7.204 19.045 1.00 0.00 C ATOM 877 OE1 GLU A 57 170.073 -7.820 19.050 1.00 0.00 O ATOM 878 OE2 GLU A 57 172.179 -7.610 19.641 1.00 0.00 O ATOM 0 H GLU A 57 171.529 -3.708 16.922 1.00 0.00 H new ATOM 0 HA GLU A 57 169.350 -4.912 15.530 1.00 0.00 H new ATOM 0 HB2 GLU A 57 169.992 -6.884 16.852 1.00 0.00 H new ATOM 0 HB3 GLU A 57 171.403 -6.113 16.155 1.00 0.00 H new ATOM 0 HG2 GLU A 57 172.291 -5.607 18.178 1.00 0.00 H new ATOM 0 HG3 GLU A 57 170.749 -5.113 18.848 1.00 0.00 H new ATOM 885 N GLU A 58 167.757 -3.628 17.282 1.00 0.00 N ATOM 886 CA GLU A 58 166.617 -3.369 18.156 1.00 0.00 C ATOM 887 C GLU A 58 165.329 -3.233 17.348 1.00 0.00 C ATOM 888 O GLU A 58 164.276 -3.720 17.758 1.00 0.00 O ATOM 889 CB GLU A 58 166.855 -2.100 18.977 1.00 0.00 C ATOM 890 CG GLU A 58 167.480 -2.363 20.338 1.00 0.00 C ATOM 891 CD GLU A 58 166.476 -2.875 21.352 1.00 0.00 C ATOM 892 OE1 GLU A 58 165.532 -3.585 20.946 1.00 0.00 O ATOM 893 OE2 GLU A 58 166.633 -2.565 22.552 1.00 0.00 O ATOM 0 H GLU A 58 167.833 -2.990 16.490 1.00 0.00 H new ATOM 0 HA GLU A 58 166.511 -4.217 18.833 1.00 0.00 H new ATOM 0 HB2 GLU A 58 167.502 -1.429 18.413 1.00 0.00 H new ATOM 0 HB3 GLU A 58 165.905 -1.584 19.116 1.00 0.00 H new ATOM 0 HG2 GLU A 58 168.284 -3.090 20.230 1.00 0.00 H new ATOM 0 HG3 GLU A 58 167.930 -1.443 20.711 1.00 0.00 H new ATOM 900 N GLU A 59 165.422 -2.583 16.191 1.00 0.00 N ATOM 901 CA GLU A 59 164.263 -2.407 15.325 1.00 0.00 C ATOM 902 C GLU A 59 164.181 -3.554 14.328 1.00 0.00 C ATOM 903 O GLU A 59 163.097 -4.055 14.029 1.00 0.00 O ATOM 904 CB GLU A 59 164.324 -1.065 14.591 1.00 0.00 C ATOM 905 CG GLU A 59 165.522 -0.923 13.672 1.00 0.00 C ATOM 906 CD GLU A 59 166.054 0.497 13.630 1.00 0.00 C ATOM 907 OE1 GLU A 59 166.821 0.870 14.542 1.00 0.00 O ATOM 908 OE2 GLU A 59 165.705 1.234 12.684 1.00 0.00 O ATOM 0 H GLU A 59 166.284 -2.172 15.834 1.00 0.00 H new ATOM 0 HA GLU A 59 163.367 -2.410 15.945 1.00 0.00 H new ATOM 0 HB2 GLU A 59 163.413 -0.940 14.006 1.00 0.00 H new ATOM 0 HB3 GLU A 59 164.344 -0.260 15.326 1.00 0.00 H new ATOM 0 HG2 GLU A 59 166.313 -1.595 14.005 1.00 0.00 H new ATOM 0 HG3 GLU A 59 165.243 -1.233 12.665 1.00 0.00 H new ATOM 915 N ILE A 60 165.340 -3.987 13.837 1.00 0.00 N ATOM 916 CA ILE A 60 165.405 -5.099 12.897 1.00 0.00 C ATOM 917 C ILE A 60 165.680 -6.403 13.646 1.00 0.00 C ATOM 918 O ILE A 60 165.297 -7.483 13.196 1.00 0.00 O ATOM 919 CB ILE A 60 166.493 -4.889 11.818 1.00 0.00 C ATOM 920 CG1 ILE A 60 167.769 -4.310 12.433 1.00 0.00 C ATOM 921 CG2 ILE A 60 165.978 -3.978 10.711 1.00 0.00 C ATOM 922 CD1 ILE A 60 168.881 -4.102 11.429 1.00 0.00 C ATOM 0 H ILE A 60 166.246 -3.583 14.076 1.00 0.00 H new ATOM 0 HA ILE A 60 164.440 -5.152 12.394 1.00 0.00 H new ATOM 0 HB ILE A 60 166.733 -5.861 11.387 1.00 0.00 H new ATOM 0 HG12 ILE A 60 167.535 -3.357 12.907 1.00 0.00 H new ATOM 0 HG13 ILE A 60 168.120 -4.979 13.219 1.00 0.00 H new ATOM 0 HG21 ILE A 60 166.757 -3.841 9.961 1.00 0.00 H new ATOM 0 HG22 ILE A 60 165.102 -4.430 10.246 1.00 0.00 H new ATOM 0 HG23 ILE A 60 165.707 -3.010 11.133 1.00 0.00 H new ATOM 0 HD11 ILE A 60 169.755 -3.689 11.934 1.00 0.00 H new ATOM 0 HD12 ILE A 60 169.143 -5.057 10.973 1.00 0.00 H new ATOM 0 HD13 ILE A 60 168.548 -3.410 10.656 1.00 0.00 H new ATOM 934 N GLY A 61 166.335 -6.287 14.804 1.00 0.00 N ATOM 935 CA GLY A 61 166.639 -7.455 15.615 1.00 0.00 C ATOM 936 C GLY A 61 167.985 -8.077 15.291 1.00 0.00 C ATOM 937 O GLY A 61 168.752 -8.418 16.189 1.00 0.00 O ATOM 0 H GLY A 61 166.660 -5.402 15.193 1.00 0.00 H new ATOM 0 HA2 GLY A 61 166.621 -7.173 16.668 1.00 0.00 H new ATOM 0 HA3 GLY A 61 165.858 -8.201 15.472 1.00 0.00 H new ATOM 941 N VAL A 62 168.255 -8.251 14.006 1.00 0.00 N ATOM 942 CA VAL A 62 169.505 -8.865 13.558 1.00 0.00 C ATOM 943 C VAL A 62 170.719 -8.040 13.969 1.00 0.00 C ATOM 944 O VAL A 62 170.606 -6.850 14.260 1.00 0.00 O ATOM 945 CB VAL A 62 169.537 -9.078 12.028 1.00 0.00 C ATOM 946 CG1 VAL A 62 168.980 -10.447 11.670 1.00 0.00 C ATOM 947 CG2 VAL A 62 168.774 -7.980 11.299 1.00 0.00 C ATOM 0 H VAL A 62 167.627 -7.977 13.251 1.00 0.00 H new ATOM 0 HA VAL A 62 169.549 -9.838 14.048 1.00 0.00 H new ATOM 0 HB VAL A 62 170.577 -9.030 11.705 1.00 0.00 H new ATOM 0 HG11 VAL A 62 169.010 -10.581 10.589 1.00 0.00 H new ATOM 0 HG12 VAL A 62 169.581 -11.221 12.148 1.00 0.00 H new ATOM 0 HG13 VAL A 62 167.949 -10.522 12.017 1.00 0.00 H new ATOM 0 HG21 VAL A 62 168.816 -8.159 10.225 1.00 0.00 H new ATOM 0 HG22 VAL A 62 167.734 -7.980 11.627 1.00 0.00 H new ATOM 0 HG23 VAL A 62 169.225 -7.013 11.523 1.00 0.00 H new ATOM 957 N LEU A 63 171.883 -8.688 13.985 1.00 0.00 N ATOM 958 CA LEU A 63 173.128 -8.024 14.356 1.00 0.00 C ATOM 959 C LEU A 63 173.654 -7.183 13.198 1.00 0.00 C ATOM 960 O LEU A 63 173.658 -7.624 12.049 1.00 0.00 O ATOM 961 CB LEU A 63 174.178 -9.055 14.774 1.00 0.00 C ATOM 962 CG LEU A 63 174.092 -9.509 16.232 1.00 0.00 C ATOM 963 CD1 LEU A 63 174.211 -8.318 17.170 1.00 0.00 C ATOM 964 CD2 LEU A 63 172.791 -10.256 16.481 1.00 0.00 C ATOM 0 H LEU A 63 171.988 -9.674 13.745 1.00 0.00 H new ATOM 0 HA LEU A 63 172.925 -7.365 15.200 1.00 0.00 H new ATOM 0 HB2 LEU A 63 174.083 -9.930 14.130 1.00 0.00 H new ATOM 0 HB3 LEU A 63 175.168 -8.635 14.597 1.00 0.00 H new ATOM 0 HG LEU A 63 174.922 -10.187 16.431 1.00 0.00 H new ATOM 0 HD11 LEU A 63 174.148 -8.661 18.203 1.00 0.00 H new ATOM 0 HD12 LEU A 63 175.169 -7.823 17.010 1.00 0.00 H new ATOM 0 HD13 LEU A 63 173.402 -7.615 16.970 1.00 0.00 H new ATOM 0 HD21 LEU A 63 172.746 -10.572 17.523 1.00 0.00 H new ATOM 0 HD22 LEU A 63 171.948 -9.600 16.264 1.00 0.00 H new ATOM 0 HD23 LEU A 63 172.745 -11.132 15.834 1.00 0.00 H new ATOM 976 N ILE A 64 174.082 -5.964 13.507 1.00 0.00 N ATOM 977 CA ILE A 64 174.595 -5.052 12.489 1.00 0.00 C ATOM 978 C ILE A 64 176.088 -4.795 12.674 1.00 0.00 C ATOM 979 O ILE A 64 176.482 -3.865 13.378 1.00 0.00 O ATOM 980 CB ILE A 64 173.847 -3.695 12.510 1.00 0.00 C ATOM 981 CG1 ILE A 64 172.542 -3.798 13.305 1.00 0.00 C ATOM 982 CG2 ILE A 64 173.562 -3.222 11.094 1.00 0.00 C ATOM 983 CD1 ILE A 64 171.521 -4.721 12.679 1.00 0.00 C ATOM 0 H ILE A 64 174.084 -5.584 14.453 1.00 0.00 H new ATOM 0 HA ILE A 64 174.428 -5.537 11.527 1.00 0.00 H new ATOM 0 HB ILE A 64 174.490 -2.965 13.002 1.00 0.00 H new ATOM 0 HG12 ILE A 64 172.767 -4.149 14.312 1.00 0.00 H new ATOM 0 HG13 ILE A 64 172.107 -2.803 13.404 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.036 -2.268 11.128 1.00 0.00 H new ATOM 0 HG22 ILE A 64 174.502 -3.100 10.555 1.00 0.00 H new ATOM 0 HG23 ILE A 64 172.943 -3.959 10.582 1.00 0.00 H new ATOM 0 HD11 ILE A 64 170.624 -4.744 13.297 1.00 0.00 H new ATOM 0 HD12 ILE A 64 171.266 -4.360 11.683 1.00 0.00 H new ATOM 0 HD13 ILE A 64 171.936 -5.726 12.605 1.00 0.00 H new ATOM 995 N ASP A 65 176.917 -5.614 12.032 1.00 0.00 N ATOM 996 CA ASP A 65 178.363 -5.453 12.128 1.00 0.00 C ATOM 997 C ASP A 65 178.823 -4.271 11.270 1.00 0.00 C ATOM 998 O ASP A 65 178.701 -4.302 10.045 1.00 0.00 O ATOM 999 CB ASP A 65 179.079 -6.734 11.700 1.00 0.00 C ATOM 1000 CG ASP A 65 179.278 -7.696 12.855 1.00 0.00 C ATOM 1001 OD1 ASP A 65 178.380 -8.529 13.096 1.00 0.00 O ATOM 1002 OD2 ASP A 65 180.333 -7.616 13.519 1.00 0.00 O ATOM 0 H ASP A 65 176.614 -6.390 11.444 1.00 0.00 H new ATOM 0 HA ASP A 65 178.619 -5.250 13.168 1.00 0.00 H new ATOM 0 HB2 ASP A 65 178.502 -7.225 10.916 1.00 0.00 H new ATOM 0 HB3 ASP A 65 180.048 -6.480 11.271 1.00 0.00 H new ATOM 1007 N PRO A 66 179.330 -3.197 11.905 1.00 0.00 N ATOM 1008 CA PRO A 66 179.773 -1.990 11.208 1.00 0.00 C ATOM 1009 C PRO A 66 180.549 -2.252 9.913 1.00 0.00 C ATOM 1010 O PRO A 66 180.047 -1.986 8.822 1.00 0.00 O ATOM 1011 CB PRO A 66 180.662 -1.269 12.231 1.00 0.00 C ATOM 1012 CG PRO A 66 180.608 -2.070 13.497 1.00 0.00 C ATOM 1013 CD PRO A 66 179.481 -3.054 13.359 1.00 0.00 C ATOM 0 HA PRO A 66 178.911 -1.410 10.880 1.00 0.00 H new ATOM 0 HB2 PRO A 66 181.686 -1.192 11.866 1.00 0.00 H new ATOM 0 HB3 PRO A 66 180.308 -0.253 12.402 1.00 0.00 H new ATOM 0 HG2 PRO A 66 181.552 -2.589 13.663 1.00 0.00 H new ATOM 0 HG3 PRO A 66 180.446 -1.419 14.356 1.00 0.00 H new ATOM 0 HD2 PRO A 66 179.718 -4.006 13.834 1.00 0.00 H new ATOM 0 HD3 PRO A 66 178.567 -2.685 13.824 1.00 0.00 H new ATOM 1021 N GLU A 67 181.782 -2.731 10.034 1.00 0.00 N ATOM 1022 CA GLU A 67 182.630 -2.972 8.867 1.00 0.00 C ATOM 1023 C GLU A 67 182.234 -4.212 8.065 1.00 0.00 C ATOM 1024 O GLU A 67 182.959 -4.618 7.157 1.00 0.00 O ATOM 1025 CB GLU A 67 184.092 -3.087 9.300 1.00 0.00 C ATOM 1026 CG GLU A 67 184.813 -1.751 9.366 1.00 0.00 C ATOM 1027 CD GLU A 67 185.735 -1.528 8.183 1.00 0.00 C ATOM 1028 OE1 GLU A 67 185.258 -1.027 7.144 1.00 0.00 O ATOM 1029 OE2 GLU A 67 186.935 -1.856 8.297 1.00 0.00 O ATOM 0 H GLU A 67 182.219 -2.961 10.927 1.00 0.00 H new ATOM 0 HA GLU A 67 182.491 -2.116 8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 67 184.136 -3.563 10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 67 184.618 -3.741 8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 67 184.078 -0.947 9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 67 185.392 -1.700 10.288 1.00 0.00 H new ATOM 1036 N GLU A 68 181.097 -4.814 8.385 1.00 0.00 N ATOM 1037 CA GLU A 68 180.649 -6.001 7.664 1.00 0.00 C ATOM 1038 C GLU A 68 179.281 -5.787 7.024 1.00 0.00 C ATOM 1039 O GLU A 68 178.856 -6.570 6.175 1.00 0.00 O ATOM 1040 CB GLU A 68 180.600 -7.197 8.609 1.00 0.00 C ATOM 1041 CG GLU A 68 181.956 -7.559 9.186 1.00 0.00 C ATOM 1042 CD GLU A 68 181.877 -8.015 10.629 1.00 0.00 C ATOM 1043 OE1 GLU A 68 181.015 -8.865 10.937 1.00 0.00 O ATOM 1044 OE2 GLU A 68 182.677 -7.523 11.452 1.00 0.00 O ATOM 0 H GLU A 68 180.473 -4.506 9.130 1.00 0.00 H new ATOM 0 HA GLU A 68 181.365 -6.196 6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 68 179.912 -6.979 9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 68 180.198 -8.058 8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 68 182.403 -8.350 8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 68 182.617 -6.695 9.118 1.00 0.00 H new ATOM 1051 N TYR A 69 178.588 -4.733 7.441 1.00 0.00 N ATOM 1052 CA TYR A 69 177.261 -4.433 6.911 1.00 0.00 C ATOM 1053 C TYR A 69 177.230 -3.057 6.253 1.00 0.00 C ATOM 1054 O TYR A 69 177.883 -2.121 6.714 1.00 0.00 O ATOM 1055 CB TYR A 69 176.212 -4.488 8.031 1.00 0.00 C ATOM 1056 CG TYR A 69 175.782 -5.888 8.435 1.00 0.00 C ATOM 1057 CD1 TYR A 69 176.686 -6.944 8.494 1.00 0.00 C ATOM 1058 CD2 TYR A 69 174.456 -6.149 8.760 1.00 0.00 C ATOM 1059 CE1 TYR A 69 176.281 -8.213 8.861 1.00 0.00 C ATOM 1060 CE2 TYR A 69 174.044 -7.415 9.127 1.00 0.00 C ATOM 1061 CZ TYR A 69 174.959 -8.443 9.176 1.00 0.00 C ATOM 1062 OH TYR A 69 174.553 -9.706 9.541 1.00 0.00 O ATOM 0 H TYR A 69 178.922 -4.073 8.143 1.00 0.00 H new ATOM 0 HA TYR A 69 177.027 -5.186 6.158 1.00 0.00 H new ATOM 0 HB2 TYR A 69 176.611 -3.979 8.908 1.00 0.00 H new ATOM 0 HB3 TYR A 69 175.331 -3.931 7.712 1.00 0.00 H new ATOM 0 HD1 TYR A 69 177.723 -6.769 8.248 1.00 0.00 H new ATOM 0 HD2 TYR A 69 173.734 -5.346 8.725 1.00 0.00 H new ATOM 0 HE1 TYR A 69 176.997 -9.021 8.901 1.00 0.00 H new ATOM 0 HE2 TYR A 69 173.009 -7.598 9.374 1.00 0.00 H new ATOM 0 HH TYR A 69 173.592 -9.698 9.732 1.00 0.00 H new ATOM 1072 N ALA A 70 176.448 -2.939 5.185 1.00 0.00 N ATOM 1073 CA ALA A 70 176.304 -1.676 4.472 1.00 0.00 C ATOM 1074 C ALA A 70 174.887 -1.149 4.646 1.00 0.00 C ATOM 1075 O ALA A 70 173.931 -1.923 4.639 1.00 0.00 O ATOM 1076 CB ALA A 70 176.633 -1.854 2.997 1.00 0.00 C ATOM 0 H ALA A 70 175.902 -3.707 4.793 1.00 0.00 H new ATOM 0 HA ALA A 70 177.004 -0.952 4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 70 176.520 -0.900 2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 70 177.660 -2.203 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 70 175.955 -2.586 2.559 1.00 0.00 H new ATOM 1082 N GLU A 71 174.746 0.162 4.822 1.00 0.00 N ATOM 1083 CA GLU A 71 173.426 0.748 5.017 1.00 0.00 C ATOM 1084 C GLU A 71 173.028 1.626 3.838 1.00 0.00 C ATOM 1085 O GLU A 71 173.842 2.375 3.301 1.00 0.00 O ATOM 1086 CB GLU A 71 173.394 1.554 6.329 1.00 0.00 C ATOM 1087 CG GLU A 71 172.143 2.413 6.530 1.00 0.00 C ATOM 1088 CD GLU A 71 172.346 3.493 7.575 1.00 0.00 C ATOM 1089 OE1 GLU A 71 173.297 3.374 8.376 1.00 0.00 O ATOM 1090 OE2 GLU A 71 171.554 4.459 7.591 1.00 0.00 O ATOM 0 H GLU A 71 175.518 0.829 4.833 1.00 0.00 H new ATOM 0 HA GLU A 71 172.701 -0.063 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 71 173.479 0.861 7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 71 174.270 2.202 6.362 1.00 0.00 H new ATOM 0 HG2 GLU A 71 171.867 2.875 5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 71 171.311 1.775 6.828 1.00 0.00 H new ATOM 1097 N VAL A 72 171.762 1.527 3.451 1.00 0.00 N ATOM 1098 CA VAL A 72 171.228 2.311 2.347 1.00 0.00 C ATOM 1099 C VAL A 72 169.828 2.804 2.689 1.00 0.00 C ATOM 1100 O VAL A 72 169.022 2.067 3.255 1.00 0.00 O ATOM 1101 CB VAL A 72 171.198 1.496 1.031 1.00 0.00 C ATOM 1102 CG1 VAL A 72 170.027 1.903 0.143 1.00 0.00 C ATOM 1103 CG2 VAL A 72 172.509 1.668 0.285 1.00 0.00 C ATOM 0 H VAL A 72 171.082 0.906 3.890 1.00 0.00 H new ATOM 0 HA VAL A 72 171.887 3.166 2.194 1.00 0.00 H new ATOM 0 HB VAL A 72 171.065 0.446 1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 72 170.040 1.309 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 72 169.091 1.731 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 72 170.112 2.960 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 72 172.480 1.091 -0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 72 172.659 2.722 0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 72 173.331 1.314 0.907 1.00 0.00 H new ATOM 1113 N TRP A 73 169.547 4.053 2.348 1.00 0.00 N ATOM 1114 CA TRP A 73 168.244 4.639 2.630 1.00 0.00 C ATOM 1115 C TRP A 73 167.551 5.083 1.347 1.00 0.00 C ATOM 1116 O TRP A 73 168.146 5.761 0.505 1.00 0.00 O ATOM 1117 CB TRP A 73 168.394 5.828 3.584 1.00 0.00 C ATOM 1118 CG TRP A 73 168.334 5.442 5.033 1.00 0.00 C ATOM 1119 CD1 TRP A 73 168.328 4.177 5.546 1.00 0.00 C ATOM 1120 CD2 TRP A 73 168.270 6.330 6.157 1.00 0.00 C ATOM 1121 NE1 TRP A 73 168.265 4.224 6.917 1.00 0.00 N ATOM 1122 CE2 TRP A 73 168.227 5.532 7.315 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.244 7.720 6.297 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 168.161 6.076 8.594 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 168.179 8.260 7.568 1.00 0.00 C ATOM 1126 CH2 TRP A 73 168.138 7.439 8.702 1.00 0.00 C ATOM 0 H TRP A 73 170.201 4.679 1.877 1.00 0.00 H new ATOM 0 HA TRP A 73 167.627 3.876 3.103 1.00 0.00 H new ATOM 0 HB2 TRP A 73 169.344 6.324 3.387 1.00 0.00 H new ATOM 0 HB3 TRP A 73 167.607 6.553 3.376 1.00 0.00 H new ATOM 0 HD1 TRP A 73 168.367 3.271 4.959 1.00 0.00 H new ATOM 0 HE1 TRP A 73 168.249 3.415 7.538 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.274 8.361 5.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 168.129 5.445 9.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 168.160 9.333 7.689 1.00 0.00 H new ATOM 0 HH2 TRP A 73 168.087 7.891 9.681 1.00 0.00 H new ATOM 1137 N VAL A 74 166.283 4.704 1.213 1.00 0.00 N ATOM 1138 CA VAL A 74 165.492 5.065 0.045 1.00 0.00 C ATOM 1139 C VAL A 74 164.247 5.844 0.462 1.00 0.00 C ATOM 1140 O VAL A 74 163.354 5.308 1.120 1.00 0.00 O ATOM 1141 CB VAL A 74 165.071 3.822 -0.769 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.059 4.197 -1.845 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.290 3.153 -1.389 1.00 0.00 C ATOM 0 H VAL A 74 165.782 4.145 1.903 1.00 0.00 H new ATOM 0 HA VAL A 74 166.121 5.691 -0.588 1.00 0.00 H new ATOM 0 HB VAL A 74 164.597 3.113 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 74 163.777 3.306 -2.406 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.173 4.627 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 74 164.502 4.927 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 74 165.975 2.279 -1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 74 166.793 3.857 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 74 166.976 2.844 -0.600 1.00 0.00 H new ATOM 1153 N GLY A 75 164.211 7.113 0.083 1.00 0.00 N ATOM 1154 CA GLY A 75 163.085 7.959 0.431 1.00 0.00 C ATOM 1155 C GLY A 75 162.612 8.825 -0.717 1.00 0.00 C ATOM 1156 O GLY A 75 162.283 8.323 -1.791 1.00 0.00 O ATOM 0 H GLY A 75 164.941 7.574 -0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 75 162.259 7.333 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 75 163.364 8.598 1.269 1.00 0.00 H new ATOM 1160 N LEU A 76 162.578 10.132 -0.481 1.00 0.00 N ATOM 1161 CA LEU A 76 162.140 11.092 -1.493 1.00 0.00 C ATOM 1162 C LEU A 76 162.911 12.400 -1.335 1.00 0.00 C ATOM 1163 O LEU A 76 162.366 13.408 -0.885 1.00 0.00 O ATOM 1164 CB LEU A 76 160.625 11.343 -1.372 1.00 0.00 C ATOM 1165 CG LEU A 76 159.823 11.240 -2.673 1.00 0.00 C ATOM 1166 CD1 LEU A 76 160.221 10.007 -3.469 1.00 0.00 C ATOM 1167 CD2 LEU A 76 158.336 11.212 -2.364 1.00 0.00 C ATOM 0 H LEU A 76 162.850 10.555 0.407 1.00 0.00 H new ATOM 0 HA LEU A 76 162.342 10.681 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 76 160.214 10.630 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 76 160.474 12.338 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 76 160.046 12.116 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 76 159.635 9.961 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 76 161.281 10.061 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 76 160.033 9.113 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 76 157.772 11.139 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 76 158.111 10.351 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 76 158.056 12.126 -1.841 1.00 0.00 H new ATOM 1179 N VAL A 77 164.191 12.369 -1.693 1.00 0.00 N ATOM 1180 CA VAL A 77 165.052 13.540 -1.576 1.00 0.00 C ATOM 1181 C VAL A 77 164.483 14.746 -2.314 1.00 0.00 C ATOM 1182 O VAL A 77 163.482 14.648 -3.023 1.00 0.00 O ATOM 1183 CB VAL A 77 166.470 13.258 -2.112 1.00 0.00 C ATOM 1184 CG1 VAL A 77 167.125 12.131 -1.327 1.00 0.00 C ATOM 1185 CG2 VAL A 77 166.436 12.937 -3.599 1.00 0.00 C ATOM 0 H VAL A 77 164.656 11.542 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 77 165.104 13.767 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 77 167.069 14.159 -1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 77 168.125 11.947 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 77 167.194 12.412 -0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 77 166.526 11.226 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 77 167.449 12.742 -3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 77 165.817 12.056 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 77 166.018 13.783 -4.144 1.00 0.00 H new ATOM 1195 N ASN A 78 165.145 15.883 -2.138 1.00 0.00 N ATOM 1196 CA ASN A 78 164.737 17.127 -2.778 1.00 0.00 C ATOM 1197 C ASN A 78 165.409 17.278 -4.148 1.00 0.00 C ATOM 1198 O ASN A 78 165.660 16.283 -4.828 1.00 0.00 O ATOM 1199 CB ASN A 78 165.067 18.314 -1.862 1.00 0.00 C ATOM 1200 CG ASN A 78 166.560 18.514 -1.612 1.00 0.00 C ATOM 1201 OD1 ASN A 78 166.952 19.482 -0.961 1.00 0.00 O ATOM 1202 ND2 ASN A 78 167.409 17.614 -2.114 1.00 0.00 N ATOM 0 H ASN A 78 165.975 15.969 -1.551 1.00 0.00 H new ATOM 0 HA ASN A 78 163.660 17.106 -2.942 1.00 0.00 H new ATOM 0 HB2 ASN A 78 164.659 19.223 -2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 78 164.566 18.171 -0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 78 168.412 17.719 -1.962 1.00 0.00 H new ATOM 0 HD22 ASN A 78 167.054 16.822 -2.650 1.00 0.00 H new ATOM 1209 N GLU A 79 165.693 18.514 -4.557 1.00 0.00 N ATOM 1210 CA GLU A 79 166.325 18.758 -5.849 1.00 0.00 C ATOM 1211 C GLU A 79 167.778 19.215 -5.697 1.00 0.00 C ATOM 1212 O GLU A 79 168.487 19.373 -6.691 1.00 0.00 O ATOM 1213 CB GLU A 79 165.529 19.801 -6.638 1.00 0.00 C ATOM 1214 CG GLU A 79 165.092 19.318 -8.012 1.00 0.00 C ATOM 1215 CD GLU A 79 165.462 20.288 -9.118 1.00 0.00 C ATOM 1216 OE1 GLU A 79 165.352 21.512 -8.896 1.00 0.00 O ATOM 1217 OE2 GLU A 79 165.862 19.823 -10.206 1.00 0.00 O ATOM 0 H GLU A 79 165.496 19.356 -4.015 1.00 0.00 H new ATOM 0 HA GLU A 79 166.330 17.814 -6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 79 164.647 20.084 -6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 79 166.136 20.699 -6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 79 165.550 18.350 -8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 79 164.013 19.167 -8.013 1.00 0.00 H new ATOM 1224 N GLN A 80 168.222 19.433 -4.459 1.00 0.00 N ATOM 1225 CA GLN A 80 169.593 19.875 -4.217 1.00 0.00 C ATOM 1226 C GLN A 80 170.371 18.865 -3.373 1.00 0.00 C ATOM 1227 O GLN A 80 171.227 19.244 -2.573 1.00 0.00 O ATOM 1228 CB GLN A 80 169.603 21.250 -3.539 1.00 0.00 C ATOM 1229 CG GLN A 80 169.089 21.239 -2.108 1.00 0.00 C ATOM 1230 CD GLN A 80 169.320 22.558 -1.397 1.00 0.00 C ATOM 1231 OE1 GLN A 80 170.007 22.615 -0.378 1.00 0.00 O ATOM 1232 NE2 GLN A 80 168.743 23.627 -1.933 1.00 0.00 N ATOM 0 H GLN A 80 167.659 19.312 -3.617 1.00 0.00 H new ATOM 0 HA GLN A 80 170.088 19.952 -5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 80 170.621 21.639 -3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 80 168.995 21.938 -4.127 1.00 0.00 H new ATOM 0 HG2 GLN A 80 168.023 21.013 -2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 80 169.583 20.440 -1.554 1.00 0.00 H new ATOM 0 HE21 GLN A 80 168.182 23.533 -2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 80 168.861 24.542 -1.498 1.00 0.00 H new ATOM 1241 N ASP A 81 170.084 17.579 -3.568 1.00 0.00 N ATOM 1242 CA ASP A 81 170.776 16.522 -2.836 1.00 0.00 C ATOM 1243 C ASP A 81 170.573 16.652 -1.328 1.00 0.00 C ATOM 1244 O ASP A 81 171.378 17.269 -0.631 1.00 0.00 O ATOM 1245 CB ASP A 81 172.271 16.544 -3.162 1.00 0.00 C ATOM 1246 CG ASP A 81 172.826 15.158 -3.420 1.00 0.00 C ATOM 1247 OD1 ASP A 81 172.642 14.644 -4.544 1.00 0.00 O ATOM 1248 OD2 ASP A 81 173.446 14.585 -2.499 1.00 0.00 O ATOM 0 H ASP A 81 169.379 17.245 -4.225 1.00 0.00 H new ATOM 0 HA ASP A 81 170.348 15.570 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 81 172.440 17.169 -4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 81 172.814 17.002 -2.335 1.00 0.00 H new ATOM 1253 N GLU A 82 169.496 16.053 -0.834 1.00 0.00 N ATOM 1254 CA GLU A 82 169.178 16.079 0.588 1.00 0.00 C ATOM 1255 C GLU A 82 168.289 14.893 0.942 1.00 0.00 C ATOM 1256 O GLU A 82 167.596 14.360 0.083 1.00 0.00 O ATOM 1257 CB GLU A 82 168.485 17.392 0.949 1.00 0.00 C ATOM 1258 CG GLU A 82 169.323 18.298 1.836 1.00 0.00 C ATOM 1259 CD GLU A 82 168.705 19.671 2.015 1.00 0.00 C ATOM 1260 OE1 GLU A 82 167.510 19.742 2.369 1.00 0.00 O ATOM 1261 OE2 GLU A 82 169.418 20.674 1.802 1.00 0.00 O ATOM 0 H GLU A 82 168.823 15.539 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 82 170.103 16.008 1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 82 168.235 17.925 0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 82 167.545 17.170 1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 82 169.448 17.830 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 82 170.318 18.405 1.404 1.00 0.00 H new ATOM 1268 N MET A 83 168.305 14.483 2.203 1.00 0.00 N ATOM 1269 CA MET A 83 167.490 13.356 2.640 1.00 0.00 C ATOM 1270 C MET A 83 166.931 13.587 4.039 1.00 0.00 C ATOM 1271 O MET A 83 167.646 13.466 5.033 1.00 0.00 O ATOM 1272 CB MET A 83 168.312 12.066 2.614 1.00 0.00 C ATOM 1273 CG MET A 83 167.485 10.813 2.851 1.00 0.00 C ATOM 1274 SD MET A 83 166.259 10.532 1.560 1.00 0.00 S ATOM 1275 CE MET A 83 167.084 9.285 0.575 1.00 0.00 C ATOM 0 H MET A 83 168.869 14.910 2.938 1.00 0.00 H new ATOM 0 HA MET A 83 166.652 13.262 1.949 1.00 0.00 H new ATOM 0 HB2 MET A 83 168.813 11.984 1.649 1.00 0.00 H new ATOM 0 HB3 MET A 83 169.091 12.126 3.374 1.00 0.00 H new ATOM 0 HG2 MET A 83 168.149 9.950 2.909 1.00 0.00 H new ATOM 0 HG3 MET A 83 166.980 10.893 3.814 1.00 0.00 H new ATOM 0 HE1 MET A 83 166.391 8.891 -0.169 1.00 0.00 H new ATOM 0 HE2 MET A 83 167.943 9.729 0.072 1.00 0.00 H new ATOM 0 HE3 MET A 83 167.421 8.475 1.222 1.00 0.00 H new ATOM 1285 N ASP A 84 165.646 13.918 4.106 1.00 0.00 N ATOM 1286 CA ASP A 84 164.983 14.165 5.382 1.00 0.00 C ATOM 1287 C ASP A 84 163.837 13.180 5.611 1.00 0.00 C ATOM 1288 O ASP A 84 163.381 12.999 6.741 1.00 0.00 O ATOM 1289 CB ASP A 84 164.454 15.599 5.434 1.00 0.00 C ATOM 1290 CG ASP A 84 163.488 15.900 4.305 1.00 0.00 C ATOM 1291 OD1 ASP A 84 162.290 15.577 4.447 1.00 0.00 O ATOM 1292 OD2 ASP A 84 163.930 16.459 3.279 1.00 0.00 O ATOM 0 H ASP A 84 165.042 14.022 3.291 1.00 0.00 H new ATOM 0 HA ASP A 84 165.718 14.023 6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 84 163.956 15.765 6.389 1.00 0.00 H new ATOM 0 HB3 ASP A 84 165.292 16.294 5.387 1.00 0.00 H new ATOM 1297 N ASP A 85 163.371 12.547 4.537 1.00 0.00 N ATOM 1298 CA ASP A 85 162.279 11.586 4.628 1.00 0.00 C ATOM 1299 C ASP A 85 162.663 10.266 3.968 1.00 0.00 C ATOM 1300 O ASP A 85 162.769 10.177 2.744 1.00 0.00 O ATOM 1301 CB ASP A 85 161.017 12.152 3.973 1.00 0.00 C ATOM 1302 CG ASP A 85 160.121 12.865 4.967 1.00 0.00 C ATOM 1303 OD1 ASP A 85 159.876 12.303 6.055 1.00 0.00 O ATOM 1304 OD2 ASP A 85 159.665 13.986 4.656 1.00 0.00 O ATOM 0 H ASP A 85 163.734 12.684 3.594 1.00 0.00 H new ATOM 0 HA ASP A 85 162.077 11.399 5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 85 161.301 12.845 3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 85 160.460 11.342 3.502 1.00 0.00 H new ATOM 1309 N VAL A 86 162.866 9.245 4.791 1.00 0.00 N ATOM 1310 CA VAL A 86 163.236 7.923 4.298 1.00 0.00 C ATOM 1311 C VAL A 86 162.049 6.966 4.385 1.00 0.00 C ATOM 1312 O VAL A 86 161.324 6.948 5.380 1.00 0.00 O ATOM 1313 CB VAL A 86 164.445 7.343 5.080 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.406 7.777 6.537 1.00 0.00 C ATOM 1315 CG2 VAL A 86 164.500 5.823 4.972 1.00 0.00 C ATOM 0 H VAL A 86 162.781 9.307 5.806 1.00 0.00 H new ATOM 0 HA VAL A 86 163.529 8.032 3.254 1.00 0.00 H new ATOM 0 HB VAL A 86 165.353 7.742 4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.263 7.358 7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 86 164.441 8.865 6.594 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.486 7.419 6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.358 5.449 5.531 1.00 0.00 H new ATOM 0 HG22 VAL A 86 163.585 5.396 5.383 1.00 0.00 H new ATOM 0 HG23 VAL A 86 164.596 5.536 3.925 1.00 0.00 H new ATOM 1325 N PHE A 87 161.859 6.175 3.335 1.00 0.00 N ATOM 1326 CA PHE A 87 160.763 5.215 3.286 1.00 0.00 C ATOM 1327 C PHE A 87 161.193 3.876 3.870 1.00 0.00 C ATOM 1328 O PHE A 87 160.395 3.164 4.480 1.00 0.00 O ATOM 1329 CB PHE A 87 160.297 5.018 1.842 1.00 0.00 C ATOM 1330 CG PHE A 87 159.385 6.102 1.349 1.00 0.00 C ATOM 1331 CD1 PHE A 87 158.202 6.382 2.011 1.00 0.00 C ATOM 1332 CD2 PHE A 87 159.708 6.836 0.219 1.00 0.00 C ATOM 1333 CE1 PHE A 87 157.357 7.376 1.558 1.00 0.00 C ATOM 1334 CE2 PHE A 87 158.869 7.832 -0.240 1.00 0.00 C ATOM 1335 CZ PHE A 87 157.692 8.104 0.429 1.00 0.00 C ATOM 0 H PHE A 87 162.451 6.180 2.505 1.00 0.00 H new ATOM 0 HA PHE A 87 159.939 5.610 3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.170 4.967 1.192 1.00 0.00 H new ATOM 0 HB3 PHE A 87 159.784 4.060 1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 87 157.937 5.817 2.892 1.00 0.00 H new ATOM 0 HD2 PHE A 87 160.627 6.627 -0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 87 156.437 7.585 2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 87 159.133 8.398 -1.121 1.00 0.00 H new ATOM 0 HZ PHE A 87 157.034 8.883 0.072 1.00 0.00 H new ATOM 1345 N ALA A 88 162.461 3.541 3.673 1.00 0.00 N ATOM 1346 CA ALA A 88 163.003 2.285 4.173 1.00 0.00 C ATOM 1347 C ALA A 88 164.519 2.342 4.293 1.00 0.00 C ATOM 1348 O ALA A 88 165.155 3.296 3.843 1.00 0.00 O ATOM 1349 CB ALA A 88 162.593 1.141 3.256 1.00 0.00 C ATOM 0 H ALA A 88 163.133 4.121 3.171 1.00 0.00 H new ATOM 0 HA ALA A 88 162.595 2.114 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 88 163.002 0.205 3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.506 1.074 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 88 162.977 1.323 2.252 1.00 0.00 H new ATOM 1355 N LYS A 89 165.095 1.298 4.877 1.00 0.00 N ATOM 1356 CA LYS A 89 166.540 1.195 5.035 1.00 0.00 C ATOM 1357 C LYS A 89 166.980 -0.172 4.541 1.00 0.00 C ATOM 1358 O LYS A 89 166.226 -1.138 4.639 1.00 0.00 O ATOM 1359 CB LYS A 89 166.959 1.400 6.495 1.00 0.00 C ATOM 1360 CG LYS A 89 166.001 2.268 7.297 1.00 0.00 C ATOM 1361 CD LYS A 89 166.276 2.170 8.789 1.00 0.00 C ATOM 1362 CE LYS A 89 165.125 2.738 9.605 1.00 0.00 C ATOM 1363 NZ LYS A 89 165.204 4.221 9.727 1.00 0.00 N ATOM 0 H LYS A 89 164.577 0.504 5.252 1.00 0.00 H new ATOM 0 HA LYS A 89 167.023 1.978 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 89 167.043 0.427 6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 89 167.950 1.854 6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 89 166.093 3.306 6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 89 164.975 1.962 7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 89 166.438 1.127 9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 89 167.193 2.708 9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 89 164.179 2.463 9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 89 165.131 2.292 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 165.085 4.494 10.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 166.130 4.549 9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 164.451 4.657 9.157 1.00 0.00 H new ATOM 1377 N PHE A 90 168.177 -0.257 3.981 1.00 0.00 N ATOM 1378 CA PHE A 90 168.659 -1.522 3.450 1.00 0.00 C ATOM 1379 C PHE A 90 170.006 -1.911 4.038 1.00 0.00 C ATOM 1380 O PHE A 90 170.924 -1.096 4.126 1.00 0.00 O ATOM 1381 CB PHE A 90 168.739 -1.445 1.925 1.00 0.00 C ATOM 1382 CG PHE A 90 167.423 -1.100 1.288 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.824 0.128 1.528 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.777 -2.005 0.462 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.609 0.446 0.956 1.00 0.00 C ATOM 1386 CE2 PHE A 90 165.559 -1.692 -0.113 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.974 -0.465 0.135 1.00 0.00 C ATOM 0 H PHE A 90 168.825 0.524 3.883 1.00 0.00 H new ATOM 0 HA PHE A 90 167.950 -2.298 3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.481 -0.698 1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 90 169.086 -2.402 1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.315 0.844 2.171 1.00 0.00 H new ATOM 0 HD2 PHE A 90 167.230 -2.966 0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 90 165.155 1.407 1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 90 165.065 -2.406 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 90 164.022 -0.219 -0.312 1.00 0.00 H new ATOM 1397 N LEU A 91 170.111 -3.175 4.426 1.00 0.00 N ATOM 1398 CA LEU A 91 171.335 -3.713 4.996 1.00 0.00 C ATOM 1399 C LEU A 91 171.812 -4.898 4.167 1.00 0.00 C ATOM 1400 O LEU A 91 171.012 -5.744 3.770 1.00 0.00 O ATOM 1401 CB LEU A 91 171.101 -4.155 6.438 1.00 0.00 C ATOM 1402 CG LEU A 91 170.909 -3.032 7.460 1.00 0.00 C ATOM 1403 CD1 LEU A 91 171.046 -3.591 8.869 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.915 -1.912 7.230 1.00 0.00 C ATOM 0 H LEU A 91 169.352 -3.853 4.354 1.00 0.00 H new ATOM 0 HA LEU A 91 172.097 -2.934 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 91 170.220 -4.796 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 91 171.948 -4.765 6.752 1.00 0.00 H new ATOM 0 HG LEU A 91 169.909 -2.615 7.338 1.00 0.00 H new ATOM 0 HD11 LEU A 91 170.909 -2.789 9.594 1.00 0.00 H new ATOM 0 HD12 LEU A 91 170.290 -4.359 9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 91 172.038 -4.026 8.993 1.00 0.00 H new ATOM 0 HD21 LEU A 91 171.759 -1.125 7.968 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.927 -2.306 7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 91 171.780 -1.502 6.229 1.00 0.00 H new ATOM 1416 N ILE A 92 173.108 -4.952 3.893 1.00 0.00 N ATOM 1417 CA ILE A 92 173.659 -6.041 3.092 1.00 0.00 C ATOM 1418 C ILE A 92 175.101 -6.355 3.477 1.00 0.00 C ATOM 1419 O ILE A 92 175.995 -5.522 3.326 1.00 0.00 O ATOM 1420 CB ILE A 92 173.596 -5.728 1.577 1.00 0.00 C ATOM 1421 CG1 ILE A 92 172.857 -4.409 1.321 1.00 0.00 C ATOM 1422 CG2 ILE A 92 172.919 -6.870 0.829 1.00 0.00 C ATOM 1423 CD1 ILE A 92 172.704 -4.073 -0.145 1.00 0.00 C ATOM 0 H ILE A 92 173.792 -4.264 4.208 1.00 0.00 H new ATOM 0 HA ILE A 92 173.039 -6.913 3.300 1.00 0.00 H new ATOM 0 HB ILE A 92 174.616 -5.623 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 92 171.869 -4.462 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 92 173.394 -3.600 1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 92 172.882 -6.636 -0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 92 173.485 -7.789 0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 92 171.905 -7.002 1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 92 172.172 -3.127 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 92 173.689 -3.987 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 92 172.140 -4.862 -0.642 1.00 0.00 H new ATOM 1435 N SER A 93 175.314 -7.571 3.973 1.00 0.00 N ATOM 1436 CA SER A 93 176.646 -8.016 4.381 1.00 0.00 C ATOM 1437 C SER A 93 177.687 -7.682 3.313 1.00 0.00 C ATOM 1438 O SER A 93 177.378 -7.641 2.122 1.00 0.00 O ATOM 1439 CB SER A 93 176.642 -9.522 4.652 1.00 0.00 C ATOM 1440 OG SER A 93 175.881 -9.830 5.807 1.00 0.00 O ATOM 0 H SER A 93 174.581 -8.268 4.103 1.00 0.00 H new ATOM 0 HA SER A 93 176.912 -7.488 5.297 1.00 0.00 H new ATOM 0 HB2 SER A 93 176.231 -10.049 3.791 1.00 0.00 H new ATOM 0 HB3 SER A 93 177.665 -9.874 4.782 1.00 0.00 H new ATOM 0 HG SER A 93 176.141 -9.232 6.539 1.00 0.00 H new ATOM 1446 N HIS A 94 178.920 -7.434 3.748 1.00 0.00 N ATOM 1447 CA HIS A 94 180.005 -7.092 2.831 1.00 0.00 C ATOM 1448 C HIS A 94 180.742 -8.339 2.343 1.00 0.00 C ATOM 1449 O HIS A 94 181.897 -8.260 1.930 1.00 0.00 O ATOM 1450 CB HIS A 94 180.995 -6.146 3.513 1.00 0.00 C ATOM 1451 CG HIS A 94 180.509 -4.732 3.618 1.00 0.00 C ATOM 1452 ND1 HIS A 94 181.133 -3.673 2.993 1.00 0.00 N ATOM 1453 CD2 HIS A 94 179.453 -4.202 4.283 1.00 0.00 C ATOM 1454 CE1 HIS A 94 180.484 -2.555 3.268 1.00 0.00 C ATOM 1455 NE2 HIS A 94 179.462 -2.850 4.047 1.00 0.00 N ATOM 0 H HIS A 94 179.193 -7.463 4.730 1.00 0.00 H new ATOM 0 HA HIS A 94 179.562 -6.597 1.967 1.00 0.00 H new ATOM 0 HB2 HIS A 94 181.211 -6.521 4.513 1.00 0.00 H new ATOM 0 HB3 HIS A 94 181.934 -6.157 2.959 1.00 0.00 H new ATOM 0 HD2 HIS A 94 178.738 -4.743 4.886 1.00 0.00 H new ATOM 0 HE1 HIS A 94 180.746 -1.569 2.915 1.00 0.00 H new ATOM 0 HE2 HIS A 94 178.786 -2.181 4.415 1.00 0.00 H new ATOM 1464 N ARG A 95 180.073 -9.487 2.392 1.00 0.00 N ATOM 1465 CA ARG A 95 180.677 -10.739 1.949 1.00 0.00 C ATOM 1466 C ARG A 95 180.355 -11.009 0.484 1.00 0.00 C ATOM 1467 O ARG A 95 179.470 -10.379 -0.096 1.00 0.00 O ATOM 1468 CB ARG A 95 180.192 -11.901 2.819 1.00 0.00 C ATOM 1469 CG ARG A 95 181.246 -12.416 3.785 1.00 0.00 C ATOM 1470 CD ARG A 95 180.624 -12.901 5.084 1.00 0.00 C ATOM 1471 NE ARG A 95 180.415 -11.809 6.032 1.00 0.00 N ATOM 1472 CZ ARG A 95 180.254 -11.984 7.341 1.00 0.00 C ATOM 1473 NH1 ARG A 95 180.276 -13.205 7.863 1.00 0.00 N ATOM 1474 NH2 ARG A 95 180.071 -10.936 8.132 1.00 0.00 N ATOM 0 H ARG A 95 179.116 -9.576 2.733 1.00 0.00 H new ATOM 0 HA ARG A 95 181.758 -10.649 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 95 179.317 -11.580 3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 95 179.872 -12.719 2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 95 181.800 -13.231 3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 95 181.964 -11.624 3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 95 179.670 -13.384 4.871 1.00 0.00 H new ATOM 0 HD3 ARG A 95 181.269 -13.655 5.536 1.00 0.00 H new ATOM 0 HE ARG A 95 180.391 -10.856 5.669 1.00 0.00 H new ATOM 0 HH11 ARG A 95 180.417 -14.015 7.260 1.00 0.00 H new ATOM 0 HH12 ARG A 95 180.152 -13.333 8.867 1.00 0.00 H new ATOM 0 HH21 ARG A 95 180.054 -9.996 7.737 1.00 0.00 H new ATOM 0 HH22 ARG A 95 179.948 -11.070 9.136 1.00 0.00 H new ATOM 1488 N GLU A 96 181.083 -11.948 -0.110 1.00 0.00 N ATOM 1489 CA GLU A 96 180.881 -12.301 -1.509 1.00 0.00 C ATOM 1490 C GLU A 96 180.001 -13.540 -1.638 1.00 0.00 C ATOM 1491 O GLU A 96 178.935 -13.495 -2.253 1.00 0.00 O ATOM 1492 CB GLU A 96 182.229 -12.543 -2.189 1.00 0.00 C ATOM 1493 CG GLU A 96 182.113 -12.887 -3.665 1.00 0.00 C ATOM 1494 CD GLU A 96 182.494 -11.728 -4.565 1.00 0.00 C ATOM 1495 OE1 GLU A 96 183.701 -11.563 -4.841 1.00 0.00 O ATOM 1496 OE2 GLU A 96 181.586 -10.985 -4.993 1.00 0.00 O ATOM 0 H GLU A 96 181.819 -12.478 0.357 1.00 0.00 H new ATOM 0 HA GLU A 96 180.375 -11.470 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 96 182.847 -11.652 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 96 182.745 -13.354 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 96 182.754 -13.740 -3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 96 181.090 -13.191 -3.884 1.00 0.00 H new ATOM 1503 N GLU A 97 180.451 -14.645 -1.051 1.00 0.00 N ATOM 1504 CA GLU A 97 179.699 -15.894 -1.097 1.00 0.00 C ATOM 1505 C GLU A 97 178.647 -15.921 0.004 1.00 0.00 C ATOM 1506 O GLU A 97 178.970 -15.800 1.186 1.00 0.00 O ATOM 1507 CB GLU A 97 180.644 -17.090 -0.955 1.00 0.00 C ATOM 1508 CG GLU A 97 180.817 -17.883 -2.240 1.00 0.00 C ATOM 1509 CD GLU A 97 181.329 -19.288 -1.991 1.00 0.00 C ATOM 1510 OE1 GLU A 97 180.498 -20.189 -1.749 1.00 0.00 O ATOM 1511 OE2 GLU A 97 182.561 -19.489 -2.039 1.00 0.00 O ATOM 0 H GLU A 97 181.331 -14.701 -0.539 1.00 0.00 H new ATOM 0 HA GLU A 97 179.196 -15.959 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 97 181.619 -16.735 -0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 97 180.264 -17.752 -0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 97 179.862 -17.935 -2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 97 181.511 -17.358 -2.896 1.00 0.00 H new ATOM 1518 N ASP A 98 177.387 -16.063 -0.389 1.00 0.00 N ATOM 1519 CA ASP A 98 176.291 -16.085 0.570 1.00 0.00 C ATOM 1520 C ASP A 98 176.196 -14.740 1.277 1.00 0.00 C ATOM 1521 O ASP A 98 177.064 -14.385 2.074 1.00 0.00 O ATOM 1522 CB ASP A 98 176.492 -17.206 1.593 1.00 0.00 C ATOM 1523 CG ASP A 98 175.196 -17.913 1.937 1.00 0.00 C ATOM 1524 OD1 ASP A 98 174.849 -18.889 1.239 1.00 0.00 O ATOM 1525 OD2 ASP A 98 174.528 -17.490 2.904 1.00 0.00 O ATOM 0 H ASP A 98 177.100 -16.164 -1.363 1.00 0.00 H new ATOM 0 HA ASP A 98 175.361 -16.273 0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 98 177.205 -17.931 1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 98 176.929 -16.791 2.501 1.00 0.00 H new ATOM 1530 N ARG A 99 175.143 -13.990 0.976 1.00 0.00 N ATOM 1531 CA ARG A 99 174.949 -12.679 1.580 1.00 0.00 C ATOM 1532 C ARG A 99 173.520 -12.509 2.083 1.00 0.00 C ATOM 1533 O ARG A 99 172.565 -12.927 1.429 1.00 0.00 O ATOM 1534 CB ARG A 99 175.276 -11.579 0.568 1.00 0.00 C ATOM 1535 CG ARG A 99 174.607 -11.779 -0.783 1.00 0.00 C ATOM 1536 CD ARG A 99 173.746 -10.585 -1.165 1.00 0.00 C ATOM 1537 NE ARG A 99 172.911 -10.864 -2.332 1.00 0.00 N ATOM 1538 CZ ARG A 99 171.885 -10.103 -2.708 1.00 0.00 C ATOM 1539 NH1 ARG A 99 171.565 -9.019 -2.013 1.00 0.00 N ATOM 1540 NH2 ARG A 99 171.179 -10.428 -3.782 1.00 0.00 N ATOM 0 H ARG A 99 174.413 -14.266 0.320 1.00 0.00 H new ATOM 0 HA ARG A 99 175.624 -12.599 2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 99 174.969 -10.617 0.978 1.00 0.00 H new ATOM 0 HB3 ARG A 99 176.356 -11.536 0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 99 175.369 -11.938 -1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 99 173.991 -12.678 -0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 99 173.111 -10.311 -0.322 1.00 0.00 H new ATOM 0 HD3 ARG A 99 174.386 -9.728 -1.374 1.00 0.00 H new ATOM 0 HE ARG A 99 173.127 -11.690 -2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 99 172.106 -8.765 -1.186 1.00 0.00 H new ATOM 0 HH12 ARG A 99 170.778 -8.440 -2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 99 171.422 -11.260 -4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 99 170.393 -9.846 -4.071 1.00 0.00 H new ATOM 1554 N GLU A 100 173.386 -11.883 3.245 1.00 0.00 N ATOM 1555 CA GLU A 100 172.078 -11.643 3.839 1.00 0.00 C ATOM 1556 C GLU A 100 171.695 -10.175 3.702 1.00 0.00 C ATOM 1557 O GLU A 100 172.543 -9.289 3.833 1.00 0.00 O ATOM 1558 CB GLU A 100 172.080 -12.045 5.316 1.00 0.00 C ATOM 1559 CG GLU A 100 172.383 -13.517 5.544 1.00 0.00 C ATOM 1560 CD GLU A 100 171.288 -14.425 5.022 1.00 0.00 C ATOM 1561 OE1 GLU A 100 171.047 -14.422 3.796 1.00 0.00 O ATOM 1562 OE2 GLU A 100 170.670 -15.140 5.839 1.00 0.00 O ATOM 0 H GLU A 100 174.169 -11.532 3.796 1.00 0.00 H new ATOM 0 HA GLU A 100 171.344 -12.251 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 100 172.818 -11.444 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 100 171.108 -11.811 5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 100 173.324 -13.770 5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 100 172.520 -13.695 6.611 1.00 0.00 H new ATOM 1569 N PHE A 101 170.417 -9.918 3.441 1.00 0.00 N ATOM 1570 CA PHE A 101 169.931 -8.554 3.291 1.00 0.00 C ATOM 1571 C PHE A 101 168.587 -8.386 3.993 1.00 0.00 C ATOM 1572 O PHE A 101 167.749 -9.287 3.977 1.00 0.00 O ATOM 1573 CB PHE A 101 169.804 -8.190 1.809 1.00 0.00 C ATOM 1574 CG PHE A 101 168.679 -8.895 1.105 1.00 0.00 C ATOM 1575 CD1 PHE A 101 168.823 -10.204 0.675 1.00 0.00 C ATOM 1576 CD2 PHE A 101 167.476 -8.247 0.875 1.00 0.00 C ATOM 1577 CE1 PHE A 101 167.789 -10.853 0.028 1.00 0.00 C ATOM 1578 CE2 PHE A 101 166.438 -8.891 0.229 1.00 0.00 C ATOM 1579 CZ PHE A 101 166.595 -10.196 -0.195 1.00 0.00 C ATOM 0 H PHE A 101 169.702 -10.636 3.329 1.00 0.00 H new ATOM 0 HA PHE A 101 170.652 -7.880 3.754 1.00 0.00 H new ATOM 0 HB2 PHE A 101 169.658 -7.114 1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 101 170.741 -8.427 1.305 1.00 0.00 H new ATOM 0 HD1 PHE A 101 169.754 -10.723 0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 101 167.348 -7.226 1.205 1.00 0.00 H new ATOM 0 HE1 PHE A 101 167.914 -11.873 -0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 101 165.505 -8.375 0.056 1.00 0.00 H new ATOM 0 HZ PHE A 101 165.785 -10.702 -0.700 1.00 0.00 H new ATOM 1589 N HIS A 102 168.393 -7.230 4.614 1.00 0.00 N ATOM 1590 CA HIS A 102 167.153 -6.946 5.329 1.00 0.00 C ATOM 1591 C HIS A 102 166.761 -5.480 5.192 1.00 0.00 C ATOM 1592 O HIS A 102 167.577 -4.583 5.403 1.00 0.00 O ATOM 1593 CB HIS A 102 167.277 -7.319 6.813 1.00 0.00 C ATOM 1594 CG HIS A 102 168.672 -7.240 7.358 1.00 0.00 C ATOM 1595 ND1 HIS A 102 169.000 -6.521 8.488 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.826 -7.809 6.931 1.00 0.00 C ATOM 1597 CE1 HIS A 102 170.292 -6.653 8.731 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.815 -7.428 7.802 1.00 0.00 N ATOM 0 H HIS A 102 169.077 -6.474 4.638 1.00 0.00 H new ATOM 0 HA HIS A 102 166.370 -7.556 4.879 1.00 0.00 H new ATOM 0 HB2 HIS A 102 166.635 -6.659 7.396 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.902 -8.333 6.953 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.945 -8.444 6.066 1.00 0.00 H new ATOM 0 HE1 HIS A 102 170.829 -6.202 9.552 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.796 -7.700 7.741 1.00 0.00 H new ATOM 1607 N VAL A 103 165.504 -5.249 4.830 1.00 0.00 N ATOM 1608 CA VAL A 103 164.997 -3.894 4.656 1.00 0.00 C ATOM 1609 C VAL A 103 163.832 -3.600 5.593 1.00 0.00 C ATOM 1610 O VAL A 103 162.964 -4.446 5.806 1.00 0.00 O ATOM 1611 CB VAL A 103 164.542 -3.645 3.206 1.00 0.00 C ATOM 1612 CG1 VAL A 103 163.367 -4.544 2.847 1.00 0.00 C ATOM 1613 CG2 VAL A 103 164.183 -2.180 2.999 1.00 0.00 C ATOM 0 H VAL A 103 164.818 -5.983 4.652 1.00 0.00 H new ATOM 0 HA VAL A 103 165.824 -3.226 4.897 1.00 0.00 H new ATOM 0 HB VAL A 103 165.371 -3.890 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 103 163.062 -4.351 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.664 -5.588 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.533 -4.337 3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.864 -2.026 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.373 -1.905 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 103 165.055 -1.559 3.206 1.00 0.00 H new ATOM 1623 N ILE A 104 163.809 -2.385 6.133 1.00 0.00 N ATOM 1624 CA ILE A 104 162.731 -1.974 7.027 1.00 0.00 C ATOM 1625 C ILE A 104 161.792 -1.001 6.329 1.00 0.00 C ATOM 1626 O ILE A 104 162.235 -0.071 5.653 1.00 0.00 O ATOM 1627 CB ILE A 104 163.244 -1.316 8.324 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.523 -0.510 8.063 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.455 -2.370 9.401 1.00 0.00 C ATOM 1630 CD1 ILE A 104 165.786 -1.342 7.999 1.00 0.00 C ATOM 0 H ILE A 104 164.520 -1.672 5.969 1.00 0.00 H new ATOM 0 HA ILE A 104 162.202 -2.888 7.295 1.00 0.00 H new ATOM 0 HB ILE A 104 162.489 -0.615 8.682 1.00 0.00 H new ATOM 0 HG12 ILE A 104 164.411 0.031 7.123 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.634 0.237 8.849 1.00 0.00 H new ATOM 0 HG21 ILE A 104 163.817 -1.892 10.311 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.511 -2.874 9.607 1.00 0.00 H new ATOM 0 HG23 ILE A 104 164.188 -3.099 9.057 1.00 0.00 H new ATOM 0 HD11 ILE A 104 166.641 -0.692 7.811 1.00 0.00 H new ATOM 0 HD12 ILE A 104 165.927 -1.863 8.946 1.00 0.00 H new ATOM 0 HD13 ILE A 104 165.701 -2.071 7.193 1.00 0.00 H new ATOM 1642 N TRP A 105 160.496 -1.227 6.498 1.00 0.00 N ATOM 1643 CA TRP A 105 159.482 -0.376 5.885 1.00 0.00 C ATOM 1644 C TRP A 105 158.808 0.510 6.928 1.00 0.00 C ATOM 1645 O TRP A 105 158.649 0.116 8.083 1.00 0.00 O ATOM 1646 CB TRP A 105 158.436 -1.236 5.175 1.00 0.00 C ATOM 1647 CG TRP A 105 159.038 -2.285 4.288 1.00 0.00 C ATOM 1648 CD1 TRP A 105 159.263 -3.592 4.612 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.500 -2.122 2.937 1.00 0.00 C ATOM 1650 NE1 TRP A 105 159.832 -4.252 3.551 1.00 0.00 N ATOM 1651 CE2 TRP A 105 159.987 -3.374 2.512 1.00 0.00 C ATOM 1652 CE3 TRP A 105 159.549 -1.044 2.043 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.513 -3.577 1.239 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 160.072 -1.250 0.780 1.00 0.00 C ATOM 1655 CH2 TRP A 105 160.547 -2.507 0.389 1.00 0.00 C ATOM 0 H TRP A 105 160.120 -1.994 7.056 1.00 0.00 H new ATOM 0 HA TRP A 105 159.973 0.268 5.156 1.00 0.00 H new ATOM 0 HB2 TRP A 105 157.805 -1.719 5.921 1.00 0.00 H new ATOM 0 HB3 TRP A 105 157.790 -0.592 4.579 1.00 0.00 H new ATOM 0 HD1 TRP A 105 159.027 -4.042 5.565 1.00 0.00 H new ATOM 0 HE1 TRP A 105 160.096 -5.237 3.539 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.185 -0.070 2.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 160.881 -4.545 0.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 160.115 -0.426 0.083 1.00 0.00 H new ATOM 0 HH2 TRP A 105 160.949 -2.634 -0.605 1.00 0.00 H new ATOM 1666 N LYS A 106 158.413 1.708 6.510 1.00 0.00 N ATOM 1667 CA LYS A 106 157.754 2.651 7.405 1.00 0.00 C ATOM 1668 C LYS A 106 156.260 2.358 7.499 1.00 0.00 C ATOM 1669 O LYS A 106 155.676 1.764 6.593 1.00 0.00 O ATOM 1670 CB LYS A 106 157.976 4.085 6.919 1.00 0.00 C ATOM 1671 CG LYS A 106 157.514 5.142 7.909 1.00 0.00 C ATOM 1672 CD LYS A 106 157.777 6.548 7.389 1.00 0.00 C ATOM 1673 CE LYS A 106 156.500 7.371 7.329 1.00 0.00 C ATOM 1674 NZ LYS A 106 156.783 8.831 7.239 1.00 0.00 N ATOM 0 H LYS A 106 158.538 2.049 5.557 1.00 0.00 H new ATOM 0 HA LYS A 106 158.190 2.539 8.398 1.00 0.00 H new ATOM 0 HB2 LYS A 106 159.037 4.230 6.714 1.00 0.00 H new ATOM 0 HB3 LYS A 106 157.447 4.226 5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 106 156.449 5.019 8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 106 158.030 5.002 8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 106 158.501 7.046 8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 106 158.221 6.492 6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 106 155.909 7.062 6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 106 155.898 7.172 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 155.886 9.357 7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 157.325 9.132 8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 157.336 9.025 6.380 1.00 0.00 H new ATOM 1688 N LYS A 107 155.647 2.780 8.600 1.00 0.00 N ATOM 1689 CA LYS A 107 154.220 2.561 8.810 1.00 0.00 C ATOM 1690 C LYS A 107 153.620 3.674 9.662 1.00 0.00 C ATOM 1691 O LYS A 107 152.645 4.308 9.205 1.00 0.00 O ATOM 1692 CB LYS A 107 153.984 1.206 9.479 1.00 0.00 C ATOM 1693 CG LYS A 107 154.852 0.973 10.706 1.00 0.00 C ATOM 1694 CD LYS A 107 155.425 -0.435 10.725 1.00 0.00 C ATOM 1695 CE LYS A 107 154.618 -1.354 11.628 1.00 0.00 C ATOM 1696 NZ LYS A 107 153.669 -2.201 10.853 1.00 0.00 N ATOM 1697 OXT LYS A 107 154.128 3.902 10.780 1.00 0.00 O ATOM 0 H LYS A 107 156.115 3.275 9.360 1.00 0.00 H new ATOM 0 HA LYS A 107 153.729 2.568 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 107 152.935 1.130 9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 107 154.174 0.414 8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 107 155.666 1.698 10.720 1.00 0.00 H new ATOM 0 HG3 LYS A 107 154.262 1.139 11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 107 155.437 -0.838 9.712 1.00 0.00 H new ATOM 0 HD3 LYS A 107 156.459 -0.403 11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 107 155.296 -1.993 12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 107 154.064 -0.757 12.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 153.138 -2.813 11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 153.006 -1.592 10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 154.200 -2.790 10.180 1.00 0.00 H new