USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 TYR OH : rot 138:sc= 1.29 USER MOD Set 1.2: A 43 ASN : amide:sc= 0.391 K(o=1.7,f=-0.45) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc=-0.00047 USER MOD Set 2.2: A 25 MET CE :methyl 178:sc= -0.0125 (180deg=-0.01) USER MOD Single : A 8 SER OG : rot 171:sc= 1.15 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 105:sc= 0.615 USER MOD Single : A 23 MET CE :methyl 159:sc= 0 (180deg=-0.138) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0634) USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= -0.024 (180deg=-0.257) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0.843 (180deg=0.819) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.173 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 156:sc= -0.158 (180deg=-0.792) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.619 -4.282 -0.917 1.00 0.00 N ATOM 60 CA GLY A 7 -13.088 -3.111 -1.588 1.00 0.00 C ATOM 61 C GLY A 7 -11.589 -3.245 -1.785 1.00 0.00 C ATOM 62 O GLY A 7 -11.049 -4.357 -1.772 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.578 -2.985 -2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.305 -2.219 -1.001 1.00 0.00 H new ATOM 66 N SER A 8 -10.916 -2.113 -1.968 1.00 0.00 N ATOM 67 CA SER A 8 -9.482 -2.052 -2.180 1.00 0.00 C ATOM 68 C SER A 8 -8.890 -0.907 -1.365 1.00 0.00 C ATOM 69 O SER A 8 -9.602 0.025 -0.970 1.00 0.00 O ATOM 70 CB SER A 8 -9.234 -1.870 -3.676 1.00 0.00 C ATOM 71 OG SER A 8 -9.861 -0.697 -4.158 1.00 0.00 O ATOM 0 H SER A 8 -11.365 -1.197 -1.972 1.00 0.00 H new ATOM 0 HA SER A 8 -8.997 -2.970 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.162 -1.817 -3.866 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.612 -2.737 -4.218 1.00 0.00 H new ATOM 0 HG SER A 8 -9.571 -0.526 -5.078 1.00 0.00 H new ATOM 77 N VAL A 9 -7.592 -0.988 -1.068 1.00 0.00 N ATOM 78 CA VAL A 9 -6.933 0.057 -0.307 1.00 0.00 C ATOM 79 C VAL A 9 -6.708 1.260 -1.223 1.00 0.00 C ATOM 80 O VAL A 9 -6.168 1.129 -2.322 1.00 0.00 O ATOM 81 CB VAL A 9 -5.597 -0.415 0.304 1.00 0.00 C ATOM 82 CG1 VAL A 9 -5.044 0.693 1.219 1.00 0.00 C ATOM 83 CG2 VAL A 9 -5.728 -1.702 1.137 1.00 0.00 C ATOM 0 H VAL A 9 -6.987 -1.762 -1.343 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.575 0.332 0.530 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.929 -0.628 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.100 0.367 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.881 1.599 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.760 0.898 2.015 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.752 -1.977 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.423 -1.534 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.102 -2.508 0.505 1.00 0.00 H new ATOM 93 N VAL A 10 -7.092 2.437 -0.746 1.00 0.00 N ATOM 94 CA VAL A 10 -6.935 3.705 -1.427 1.00 0.00 C ATOM 95 C VAL A 10 -6.264 4.654 -0.433 1.00 0.00 C ATOM 96 O VAL A 10 -6.273 4.448 0.790 1.00 0.00 O ATOM 97 CB VAL A 10 -8.269 4.256 -1.990 1.00 0.00 C ATOM 98 CG1 VAL A 10 -8.932 3.281 -2.978 1.00 0.00 C ATOM 99 CG2 VAL A 10 -9.278 4.601 -0.890 1.00 0.00 C ATOM 0 H VAL A 10 -7.540 2.532 0.165 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.313 3.587 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.995 5.171 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.864 3.712 -3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.260 3.101 -3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.143 2.338 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.193 4.982 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.505 3.706 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.854 5.361 -0.233 1.00 0.00 H new ATOM 109 N ALA A 11 -5.631 5.681 -0.974 1.00 0.00 N ATOM 110 CA ALA A 11 -4.953 6.713 -0.229 1.00 0.00 C ATOM 111 C ALA A 11 -6.034 7.558 0.437 1.00 0.00 C ATOM 112 O ALA A 11 -7.026 7.952 -0.185 1.00 0.00 O ATOM 113 CB ALA A 11 -4.119 7.541 -1.201 1.00 0.00 C ATOM 0 H ALA A 11 -5.577 5.819 -1.983 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.284 6.309 0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.598 8.328 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.390 6.898 -1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.772 7.990 -1.949 1.00 0.00 H new ATOM 119 N LYS A 12 -5.887 7.807 1.731 1.00 0.00 N ATOM 120 CA LYS A 12 -6.851 8.614 2.465 1.00 0.00 C ATOM 121 C LYS A 12 -6.675 10.102 2.138 1.00 0.00 C ATOM 122 O LYS A 12 -7.659 10.837 2.088 1.00 0.00 O ATOM 123 CB LYS A 12 -6.700 8.317 3.958 1.00 0.00 C ATOM 124 CG LYS A 12 -7.976 8.726 4.691 1.00 0.00 C ATOM 125 CD LYS A 12 -7.941 8.321 6.168 1.00 0.00 C ATOM 126 CE LYS A 12 -9.367 8.343 6.711 1.00 0.00 C ATOM 127 NZ LYS A 12 -9.444 7.930 8.118 1.00 0.00 N ATOM 0 H LYS A 12 -5.110 7.462 2.294 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.867 8.357 2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.505 7.255 4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.846 8.860 4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.109 9.805 4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.836 8.263 4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.509 7.326 6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.310 9.006 6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.775 9.349 6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.991 7.683 6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.434 7.963 8.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.081 6.960 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.872 8.574 8.701 1.00 0.00 H new ATOM 141 N VAL A 13 -5.445 10.528 1.878 1.00 0.00 N ATOM 142 CA VAL A 13 -4.975 11.871 1.550 1.00 0.00 C ATOM 143 C VAL A 13 -3.820 11.763 0.535 1.00 0.00 C ATOM 144 O VAL A 13 -3.366 10.653 0.259 1.00 0.00 O ATOM 145 CB VAL A 13 -4.534 12.574 2.852 1.00 0.00 C ATOM 146 CG1 VAL A 13 -5.746 12.827 3.763 1.00 0.00 C ATOM 147 CG2 VAL A 13 -3.472 11.817 3.674 1.00 0.00 C ATOM 0 H VAL A 13 -4.666 9.869 1.893 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.768 12.465 1.095 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.076 13.504 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.417 13.323 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.465 13.461 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.216 11.877 4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.228 12.390 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.863 10.842 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.573 11.683 3.072 1.00 0.00 H new ATOM 157 N LYS A 14 -3.350 12.868 -0.057 1.00 0.00 N ATOM 158 CA LYS A 14 -2.252 12.857 -1.027 1.00 0.00 C ATOM 159 C LYS A 14 -0.961 12.494 -0.303 1.00 0.00 C ATOM 160 O LYS A 14 -0.547 13.230 0.597 1.00 0.00 O ATOM 161 CB LYS A 14 -2.175 14.212 -1.753 1.00 0.00 C ATOM 162 CG LYS A 14 -1.047 14.268 -2.803 1.00 0.00 C ATOM 163 CD LYS A 14 -1.407 15.184 -3.986 1.00 0.00 C ATOM 164 CE LYS A 14 -0.524 14.924 -5.214 1.00 0.00 C ATOM 165 NZ LYS A 14 0.702 15.747 -5.254 1.00 0.00 N ATOM 0 H LYS A 14 -3.724 13.799 0.126 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.423 12.105 -1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.129 14.411 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.021 15.003 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.131 14.626 -2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.844 13.262 -3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.453 15.033 -4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.304 16.225 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.244 13.871 -5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.107 15.114 -6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.247 15.517 -6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.444 16.754 -5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.280 15.550 -4.412 1.00 0.00 H new ATOM 179 N ILE A 15 -0.355 11.364 -0.658 1.00 0.00 N ATOM 180 CA ILE A 15 0.870 10.849 -0.067 1.00 0.00 C ATOM 181 C ILE A 15 2.086 11.189 -0.939 1.00 0.00 C ATOM 182 O ILE A 15 2.272 10.557 -1.984 1.00 0.00 O ATOM 183 CB ILE A 15 0.767 9.322 0.136 1.00 0.00 C ATOM 184 CG1 ILE A 15 -0.506 8.941 0.914 1.00 0.00 C ATOM 185 CG2 ILE A 15 2.009 8.813 0.873 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.692 7.444 1.171 1.00 0.00 C ATOM 0 H ILE A 15 -0.721 10.761 -1.395 1.00 0.00 H new ATOM 0 HA ILE A 15 1.004 11.325 0.904 1.00 0.00 H new ATOM 0 HB ILE A 15 0.708 8.852 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.494 9.459 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.372 9.309 0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.932 7.735 1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.899 9.039 0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.081 9.302 1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.617 7.282 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.742 6.915 0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.150 7.067 1.752 1.00 0.00 H new ATOM 198 N PRO A 16 2.928 12.159 -0.553 1.00 0.00 N ATOM 199 CA PRO A 16 4.118 12.483 -1.319 1.00 0.00 C ATOM 200 C PRO A 16 5.103 11.312 -1.227 1.00 0.00 C ATOM 201 O PRO A 16 5.220 10.646 -0.192 1.00 0.00 O ATOM 202 CB PRO A 16 4.694 13.748 -0.687 1.00 0.00 C ATOM 203 CG PRO A 16 4.162 13.720 0.742 1.00 0.00 C ATOM 204 CD PRO A 16 2.834 12.988 0.635 1.00 0.00 C ATOM 0 HA PRO A 16 3.907 12.650 -2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.784 13.744 -0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.368 14.643 -1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.849 13.202 1.412 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.030 14.727 1.137 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.651 12.380 1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.006 13.692 0.555 1.00 0.00 H new ATOM 212 N GLU A 17 5.836 11.074 -2.311 1.00 0.00 N ATOM 213 CA GLU A 17 6.842 10.020 -2.405 1.00 0.00 C ATOM 214 C GLU A 17 7.860 10.126 -1.255 1.00 0.00 C ATOM 215 O GLU A 17 8.070 11.200 -0.684 1.00 0.00 O ATOM 216 CB GLU A 17 7.501 10.115 -3.790 1.00 0.00 C ATOM 217 CG GLU A 17 8.702 9.200 -4.054 1.00 0.00 C ATOM 218 CD GLU A 17 10.028 9.927 -3.848 1.00 0.00 C ATOM 219 OE1 GLU A 17 10.434 10.678 -4.760 1.00 0.00 O ATOM 220 OE2 GLU A 17 10.674 9.771 -2.790 1.00 0.00 O ATOM 0 H GLU A 17 5.745 11.620 -3.167 1.00 0.00 H new ATOM 0 HA GLU A 17 6.380 9.038 -2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.741 9.902 -4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.821 11.146 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.654 8.337 -3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.651 8.820 -5.074 1.00 0.00 H new ATOM 227 N GLY A 18 8.462 8.995 -0.876 1.00 0.00 N ATOM 228 CA GLY A 18 9.464 8.958 0.177 1.00 0.00 C ATOM 229 C GLY A 18 8.904 9.213 1.571 1.00 0.00 C ATOM 230 O GLY A 18 9.670 9.612 2.449 1.00 0.00 O ATOM 0 H GLY A 18 8.265 8.085 -1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.953 7.984 0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.230 9.703 -0.038 1.00 0.00 H new ATOM 234 N THR A 19 7.617 8.948 1.813 1.00 0.00 N ATOM 235 CA THR A 19 6.954 9.143 3.103 1.00 0.00 C ATOM 236 C THR A 19 6.449 7.786 3.592 1.00 0.00 C ATOM 237 O THR A 19 6.030 6.957 2.778 1.00 0.00 O ATOM 238 CB THR A 19 5.824 10.169 2.884 1.00 0.00 C ATOM 239 OG1 THR A 19 6.373 11.346 2.325 1.00 0.00 O ATOM 240 CG2 THR A 19 5.051 10.561 4.141 1.00 0.00 C ATOM 0 H THR A 19 6.991 8.582 1.096 1.00 0.00 H new ATOM 0 HA THR A 19 7.621 9.532 3.872 1.00 0.00 H new ATOM 0 HB THR A 19 5.111 9.677 2.223 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.146 11.392 1.373 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.279 11.286 3.882 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.586 9.675 4.574 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.735 11.002 4.866 1.00 0.00 H new ATOM 248 N ILE A 20 6.496 7.533 4.904 1.00 0.00 N ATOM 249 CA ILE A 20 6.035 6.281 5.495 1.00 0.00 C ATOM 250 C ILE A 20 4.508 6.261 5.494 1.00 0.00 C ATOM 251 O ILE A 20 3.876 7.283 5.783 1.00 0.00 O ATOM 252 CB ILE A 20 6.569 6.104 6.934 1.00 0.00 C ATOM 253 CG1 ILE A 20 8.088 5.879 6.936 1.00 0.00 C ATOM 254 CG2 ILE A 20 5.882 4.984 7.733 1.00 0.00 C ATOM 255 CD1 ILE A 20 8.570 4.510 6.436 1.00 0.00 C ATOM 0 H ILE A 20 6.858 8.198 5.587 1.00 0.00 H new ATOM 0 HA ILE A 20 6.419 5.453 4.899 1.00 0.00 H new ATOM 0 HB ILE A 20 6.327 7.039 7.439 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.550 6.651 6.320 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.454 6.021 7.953 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.318 4.929 8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.816 5.196 7.814 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.025 4.032 7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.658 4.468 6.483 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.149 3.725 7.063 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.246 4.364 5.406 1.00 0.00 H new ATOM 267 N LEU A 21 3.919 5.127 5.120 1.00 0.00 N ATOM 268 CA LEU A 21 2.485 4.884 5.062 1.00 0.00 C ATOM 269 C LEU A 21 2.009 4.571 6.472 1.00 0.00 C ATOM 270 O LEU A 21 2.686 3.847 7.203 1.00 0.00 O ATOM 271 CB LEU A 21 2.189 3.656 4.182 1.00 0.00 C ATOM 272 CG LEU A 21 2.213 3.895 2.663 1.00 0.00 C ATOM 273 CD1 LEU A 21 1.925 2.595 1.906 1.00 0.00 C ATOM 274 CD2 LEU A 21 1.152 4.905 2.234 1.00 0.00 C ATOM 0 H LEU A 21 4.461 4.311 4.835 1.00 0.00 H new ATOM 0 HA LEU A 21 1.983 5.759 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.916 2.880 4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.208 3.267 4.453 1.00 0.00 H new ATOM 0 HG LEU A 21 3.208 4.274 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.947 2.786 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.682 1.852 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.941 2.220 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.200 5.047 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.164 4.533 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.332 5.857 2.734 1.00 0.00 H new ATOM 286 N THR A 22 0.831 5.054 6.852 1.00 0.00 N ATOM 287 CA THR A 22 0.260 4.815 8.170 1.00 0.00 C ATOM 288 C THR A 22 -1.219 4.468 7.998 1.00 0.00 C ATOM 289 O THR A 22 -1.799 4.708 6.932 1.00 0.00 O ATOM 290 CB THR A 22 0.461 6.053 9.071 1.00 0.00 C ATOM 291 OG1 THR A 22 -0.187 7.179 8.512 1.00 0.00 O ATOM 292 CG2 THR A 22 1.938 6.401 9.294 1.00 0.00 C ATOM 0 H THR A 22 0.242 5.627 6.248 1.00 0.00 H new ATOM 0 HA THR A 22 0.762 3.981 8.660 1.00 0.00 H new ATOM 0 HB THR A 22 0.027 5.796 10.037 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.053 7.956 9.094 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.012 7.280 9.935 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.442 5.560 9.771 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.411 6.611 8.335 1.00 0.00 H new ATOM 300 N MET A 23 -1.850 3.925 9.043 1.00 0.00 N ATOM 301 CA MET A 23 -3.268 3.574 9.026 1.00 0.00 C ATOM 302 C MET A 23 -4.099 4.845 8.790 1.00 0.00 C ATOM 303 O MET A 23 -5.205 4.770 8.265 1.00 0.00 O ATOM 304 CB MET A 23 -3.677 2.929 10.367 1.00 0.00 C ATOM 305 CG MET A 23 -3.482 1.409 10.400 1.00 0.00 C ATOM 306 SD MET A 23 -4.694 0.472 9.413 1.00 0.00 S ATOM 307 CE MET A 23 -4.102 -1.228 9.647 1.00 0.00 C ATOM 0 H MET A 23 -1.387 3.717 9.928 1.00 0.00 H new ATOM 0 HA MET A 23 -3.450 2.858 8.224 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.094 3.379 11.170 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.724 3.157 10.566 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.480 1.176 10.039 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.535 1.071 11.435 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.911 -1.927 9.436 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.271 -1.420 8.969 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.768 -1.359 10.676 1.00 0.00 H new ATOM 317 N ASP A 24 -3.579 6.022 9.156 1.00 0.00 N ATOM 318 CA ASP A 24 -4.255 7.310 8.993 1.00 0.00 C ATOM 319 C ASP A 24 -4.195 7.844 7.561 1.00 0.00 C ATOM 320 O ASP A 24 -4.880 8.809 7.220 1.00 0.00 O ATOM 321 CB ASP A 24 -3.603 8.348 9.916 1.00 0.00 C ATOM 322 CG ASP A 24 -4.568 9.466 10.303 1.00 0.00 C ATOM 323 OD1 ASP A 24 -5.796 9.236 10.361 1.00 0.00 O ATOM 324 OD2 ASP A 24 -4.109 10.575 10.664 1.00 0.00 O ATOM 0 H ASP A 24 -2.656 6.105 9.583 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.302 7.145 9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.243 7.853 10.818 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.733 8.778 9.419 1.00 0.00 H new ATOM 329 N MET A 25 -3.383 7.218 6.707 1.00 0.00 N ATOM 330 CA MET A 25 -3.166 7.576 5.315 1.00 0.00 C ATOM 331 C MET A 25 -3.557 6.415 4.393 1.00 0.00 C ATOM 332 O MET A 25 -3.180 6.385 3.221 1.00 0.00 O ATOM 333 CB MET A 25 -1.712 8.052 5.161 1.00 0.00 C ATOM 334 CG MET A 25 -1.476 9.293 6.034 1.00 0.00 C ATOM 335 SD MET A 25 0.037 10.224 5.705 1.00 0.00 S ATOM 336 CE MET A 25 1.316 8.970 5.949 1.00 0.00 C ATOM 0 H MET A 25 -2.833 6.406 6.988 1.00 0.00 H new ATOM 0 HA MET A 25 -3.810 8.401 5.010 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.026 7.256 5.451 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.505 8.286 4.117 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.325 9.965 5.911 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.466 8.980 7.078 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.295 9.403 5.742 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.286 8.616 6.979 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.139 8.134 5.273 1.00 0.00 H new ATOM 346 N LEU A 26 -4.310 5.438 4.903 1.00 0.00 N ATOM 347 CA LEU A 26 -4.775 4.279 4.157 1.00 0.00 C ATOM 348 C LEU A 26 -6.195 3.981 4.617 1.00 0.00 C ATOM 349 O LEU A 26 -6.492 4.023 5.813 1.00 0.00 O ATOM 350 CB LEU A 26 -3.885 3.054 4.430 1.00 0.00 C ATOM 351 CG LEU A 26 -2.445 3.145 3.896 1.00 0.00 C ATOM 352 CD1 LEU A 26 -1.658 1.927 4.388 1.00 0.00 C ATOM 353 CD2 LEU A 26 -2.395 3.174 2.366 1.00 0.00 C ATOM 0 H LEU A 26 -4.619 5.437 5.875 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.738 4.489 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.844 2.890 5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.361 2.177 3.992 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.012 4.075 4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.635 1.980 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.647 1.917 5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.131 1.016 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.358 3.239 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.845 2.264 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.946 4.040 2.000 1.00 0.00 H new ATOM 365 N THR A 27 -7.078 3.663 3.684 1.00 0.00 N ATOM 366 CA THR A 27 -8.474 3.349 3.955 1.00 0.00 C ATOM 367 C THR A 27 -8.904 2.326 2.892 1.00 0.00 C ATOM 368 O THR A 27 -8.290 2.276 1.825 1.00 0.00 O ATOM 369 CB THR A 27 -9.246 4.690 3.978 1.00 0.00 C ATOM 370 OG1 THR A 27 -10.584 4.539 4.415 1.00 0.00 O ATOM 371 CG2 THR A 27 -9.215 5.427 2.638 1.00 0.00 C ATOM 0 H THR A 27 -6.839 3.615 2.693 1.00 0.00 H new ATOM 0 HA THR A 27 -8.675 2.883 4.920 1.00 0.00 H new ATOM 0 HB THR A 27 -8.714 5.304 4.705 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.029 5.412 4.414 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.774 6.359 2.722 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.182 5.647 2.368 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.666 4.801 1.868 1.00 0.00 H new ATOM 379 N VAL A 28 -9.915 1.494 3.153 1.00 0.00 N ATOM 380 CA VAL A 28 -10.385 0.485 2.206 1.00 0.00 C ATOM 381 C VAL A 28 -11.770 0.896 1.724 1.00 0.00 C ATOM 382 O VAL A 28 -12.765 0.759 2.449 1.00 0.00 O ATOM 383 CB VAL A 28 -10.345 -0.950 2.772 1.00 0.00 C ATOM 384 CG1 VAL A 28 -10.405 -1.943 1.598 1.00 0.00 C ATOM 385 CG2 VAL A 28 -9.081 -1.228 3.600 1.00 0.00 C ATOM 0 H VAL A 28 -10.432 1.503 4.032 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.702 0.448 1.357 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.200 -1.067 3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.378 -2.963 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.328 -1.790 1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.552 -1.780 0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.108 -2.252 3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.199 -1.092 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.038 -0.537 4.442 1.00 0.00 H new ATOM 395 N LYS A 29 -11.834 1.451 0.516 1.00 0.00 N ATOM 396 CA LYS A 29 -13.075 1.907 -0.086 1.00 0.00 C ATOM 397 C LYS A 29 -13.886 0.712 -0.562 1.00 0.00 C ATOM 398 O LYS A 29 -13.448 0.019 -1.485 1.00 0.00 O ATOM 399 CB LYS A 29 -12.759 2.862 -1.238 1.00 0.00 C ATOM 400 CG LYS A 29 -14.034 3.584 -1.696 1.00 0.00 C ATOM 401 CD LYS A 29 -13.701 4.712 -2.675 1.00 0.00 C ATOM 402 CE LYS A 29 -13.220 4.245 -4.054 1.00 0.00 C ATOM 403 NZ LYS A 29 -14.252 3.491 -4.784 1.00 0.00 N ATOM 0 H LYS A 29 -11.015 1.596 -0.075 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.672 2.444 0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.014 3.591 -0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.328 2.307 -2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.709 2.872 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.557 3.991 -0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.587 5.334 -2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.931 5.343 -2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.922 5.112 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.335 3.621 -3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.930 3.315 -5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.422 2.583 -4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.134 4.041 -4.805 1.00 0.00 H new ATOM 417 N VAL A 30 -15.032 0.462 0.071 1.00 0.00 N ATOM 418 CA VAL A 30 -15.928 -0.637 -0.262 1.00 0.00 C ATOM 419 C VAL A 30 -16.392 -0.399 -1.700 1.00 0.00 C ATOM 420 O VAL A 30 -16.957 0.659 -2.009 1.00 0.00 O ATOM 421 CB VAL A 30 -17.090 -0.701 0.758 1.00 0.00 C ATOM 422 CG1 VAL A 30 -18.074 -1.830 0.424 1.00 0.00 C ATOM 423 CG2 VAL A 30 -16.604 -0.945 2.197 1.00 0.00 C ATOM 0 H VAL A 30 -15.368 1.033 0.847 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.437 -1.608 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 30 -17.576 0.273 0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -18.876 -1.844 1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -18.496 -1.664 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -17.550 -2.786 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -17.461 -0.981 2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -16.066 -1.892 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -15.939 -0.135 2.499 1.00 0.00 H new ATOM 433 N GLY A 31 -16.144 -1.357 -2.594 1.00 0.00 N ATOM 434 CA GLY A 31 -16.528 -1.229 -3.985 1.00 0.00 C ATOM 435 C GLY A 31 -16.043 -2.417 -4.788 1.00 0.00 C ATOM 436 O GLY A 31 -16.809 -3.356 -5.014 1.00 0.00 O ATOM 0 H GLY A 31 -15.675 -2.234 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.612 -1.151 -4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.112 -0.310 -4.399 1.00 0.00 H new ATOM 440 N GLU A 32 -14.784 -2.394 -5.215 1.00 0.00 N ATOM 441 CA GLU A 32 -14.186 -3.459 -6.011 1.00 0.00 C ATOM 442 C GLU A 32 -12.759 -3.753 -5.540 1.00 0.00 C ATOM 443 O GLU A 32 -12.132 -2.879 -4.945 1.00 0.00 O ATOM 444 CB GLU A 32 -14.259 -3.073 -7.501 1.00 0.00 C ATOM 445 CG GLU A 32 -13.519 -1.776 -7.867 1.00 0.00 C ATOM 446 CD GLU A 32 -13.550 -1.517 -9.378 1.00 0.00 C ATOM 447 OE1 GLU A 32 -13.054 -2.382 -10.140 1.00 0.00 O ATOM 448 OE2 GLU A 32 -14.048 -0.454 -9.820 1.00 0.00 O ATOM 0 H GLU A 32 -14.143 -1.626 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 32 -14.743 -4.386 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.847 -3.890 -8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.306 -2.970 -7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.975 -0.936 -7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.485 -1.838 -7.529 1.00 0.00 H new ATOM 455 N PRO A 33 -12.197 -4.943 -5.826 1.00 0.00 N ATOM 456 CA PRO A 33 -10.843 -5.312 -5.415 1.00 0.00 C ATOM 457 C PRO A 33 -9.748 -4.618 -6.244 1.00 0.00 C ATOM 458 O PRO A 33 -8.592 -5.038 -6.210 1.00 0.00 O ATOM 459 CB PRO A 33 -10.803 -6.839 -5.551 1.00 0.00 C ATOM 460 CG PRO A 33 -11.737 -7.111 -6.724 1.00 0.00 C ATOM 461 CD PRO A 33 -12.827 -6.065 -6.518 1.00 0.00 C ATOM 0 HA PRO A 33 -10.632 -4.984 -4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.793 -7.199 -5.749 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.145 -7.333 -4.642 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.233 -6.990 -7.683 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.136 -8.125 -6.700 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.245 -5.747 -7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.649 -6.472 -5.930 1.00 0.00 H new ATOM 469 N LYS A 34 -10.075 -3.610 -7.058 1.00 0.00 N ATOM 470 CA LYS A 34 -9.133 -2.864 -7.887 1.00 0.00 C ATOM 471 C LYS A 34 -8.219 -2.065 -6.965 1.00 0.00 C ATOM 472 O LYS A 34 -8.600 -0.978 -6.528 1.00 0.00 O ATOM 473 CB LYS A 34 -9.930 -1.978 -8.848 1.00 0.00 C ATOM 474 CG LYS A 34 -9.053 -1.277 -9.882 1.00 0.00 C ATOM 475 CD LYS A 34 -9.910 -0.593 -10.953 1.00 0.00 C ATOM 476 CE LYS A 34 -10.560 -1.586 -11.930 1.00 0.00 C ATOM 477 NZ LYS A 34 -9.559 -2.369 -12.683 1.00 0.00 N ATOM 0 H LYS A 34 -11.036 -3.283 -7.159 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.506 -3.520 -8.491 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.673 -2.587 -9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.475 -1.228 -8.274 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.422 -0.538 -9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.387 -2.001 -10.351 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.690 -0.008 -10.466 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.290 0.106 -11.514 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.208 -2.266 -11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.193 -1.041 -12.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.018 -2.831 -13.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.808 -1.736 -13.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.145 -3.093 -12.061 1.00 0.00 H new ATOM 491 N GLY A 35 -7.051 -2.625 -6.653 1.00 0.00 N ATOM 492 CA GLY A 35 -6.012 -2.103 -5.789 1.00 0.00 C ATOM 493 C GLY A 35 -5.527 -3.210 -4.857 1.00 0.00 C ATOM 494 O GLY A 35 -5.828 -4.390 -5.074 1.00 0.00 O ATOM 0 H GLY A 35 -6.793 -3.535 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.182 -1.725 -6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.394 -1.264 -5.208 1.00 0.00 H new ATOM 498 N TYR A 36 -4.755 -2.845 -3.836 1.00 0.00 N ATOM 499 CA TYR A 36 -4.239 -3.803 -2.862 1.00 0.00 C ATOM 500 C TYR A 36 -5.420 -4.354 -2.033 1.00 0.00 C ATOM 501 O TYR A 36 -6.350 -3.592 -1.742 1.00 0.00 O ATOM 502 CB TYR A 36 -3.197 -3.095 -1.988 1.00 0.00 C ATOM 503 CG TYR A 36 -2.170 -4.005 -1.347 1.00 0.00 C ATOM 504 CD1 TYR A 36 -1.202 -4.641 -2.147 1.00 0.00 C ATOM 505 CD2 TYR A 36 -2.131 -4.167 0.048 1.00 0.00 C ATOM 506 CE1 TYR A 36 -0.198 -5.433 -1.564 1.00 0.00 C ATOM 507 CE2 TYR A 36 -1.072 -4.875 0.637 1.00 0.00 C ATOM 508 CZ TYR A 36 -0.109 -5.522 -0.163 1.00 0.00 C ATOM 509 OH TYR A 36 0.922 -6.213 0.398 1.00 0.00 O ATOM 0 H TYR A 36 -4.471 -1.881 -3.661 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.753 -4.648 -3.350 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.675 -2.357 -2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.717 -2.548 -1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.231 -4.519 -3.220 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.913 -3.748 0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.501 -5.970 -2.188 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.994 -4.924 1.713 1.00 0.00 H new ATOM 0 HH TYR A 36 1.271 -5.713 1.165 1.00 0.00 H new ATOM 519 N PRO A 37 -5.419 -5.639 -1.626 1.00 0.00 N ATOM 520 CA PRO A 37 -6.516 -6.217 -0.852 1.00 0.00 C ATOM 521 C PRO A 37 -6.565 -5.719 0.609 1.00 0.00 C ATOM 522 O PRO A 37 -5.523 -5.404 1.190 1.00 0.00 O ATOM 523 CB PRO A 37 -6.296 -7.731 -0.914 1.00 0.00 C ATOM 524 CG PRO A 37 -4.789 -7.880 -1.098 1.00 0.00 C ATOM 525 CD PRO A 37 -4.399 -6.642 -1.903 1.00 0.00 C ATOM 0 HA PRO A 37 -7.476 -5.915 -1.271 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.637 -8.221 -0.002 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.845 -8.180 -1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.270 -7.915 -0.140 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.539 -8.798 -1.629 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.412 -6.284 -1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.355 -6.868 -2.968 1.00 0.00 H new ATOM 533 N PRO A 38 -7.751 -5.735 1.251 1.00 0.00 N ATOM 534 CA PRO A 38 -7.927 -5.278 2.627 1.00 0.00 C ATOM 535 C PRO A 38 -7.231 -6.101 3.704 1.00 0.00 C ATOM 536 O PRO A 38 -6.935 -5.549 4.761 1.00 0.00 O ATOM 537 CB PRO A 38 -9.434 -5.313 2.904 1.00 0.00 C ATOM 538 CG PRO A 38 -10.032 -6.191 1.811 1.00 0.00 C ATOM 539 CD PRO A 38 -9.037 -6.084 0.661 1.00 0.00 C ATOM 0 HA PRO A 38 -7.469 -4.291 2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.641 -5.722 3.893 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.861 -4.310 2.878 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.145 -7.222 2.146 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.021 -5.841 1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.971 -7.027 0.118 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.353 -5.325 -0.055 1.00 0.00 H new ATOM 547 N GLU A 39 -6.989 -7.395 3.507 1.00 0.00 N ATOM 548 CA GLU A 39 -6.342 -8.194 4.546 1.00 0.00 C ATOM 549 C GLU A 39 -4.841 -7.923 4.631 1.00 0.00 C ATOM 550 O GLU A 39 -4.260 -8.079 5.701 1.00 0.00 O ATOM 551 CB GLU A 39 -6.633 -9.680 4.317 1.00 0.00 C ATOM 552 CG GLU A 39 -8.092 -9.994 4.679 1.00 0.00 C ATOM 553 CD GLU A 39 -8.455 -11.406 4.240 1.00 0.00 C ATOM 554 OE1 GLU A 39 -8.722 -11.604 3.029 1.00 0.00 O ATOM 555 OE2 GLU A 39 -8.431 -12.331 5.082 1.00 0.00 O ATOM 0 H GLU A 39 -7.225 -7.905 2.656 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.760 -7.899 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.445 -9.939 3.275 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.961 -10.288 4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.237 -9.892 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.756 -9.275 4.199 1.00 0.00 H new ATOM 562 N ASP A 40 -4.206 -7.468 3.551 1.00 0.00 N ATOM 563 CA ASP A 40 -2.768 -7.197 3.534 1.00 0.00 C ATOM 564 C ASP A 40 -2.434 -5.766 3.970 1.00 0.00 C ATOM 565 O ASP A 40 -1.263 -5.415 4.092 1.00 0.00 O ATOM 566 CB ASP A 40 -2.201 -7.498 2.143 1.00 0.00 C ATOM 567 CG ASP A 40 -1.947 -8.976 1.929 1.00 0.00 C ATOM 568 OD1 ASP A 40 -0.824 -9.436 2.238 1.00 0.00 O ATOM 569 OD2 ASP A 40 -2.859 -9.698 1.478 1.00 0.00 O ATOM 0 H ASP A 40 -4.673 -7.277 2.664 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.297 -7.855 4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.897 -7.138 1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.269 -6.949 2.007 1.00 0.00 H new ATOM 574 N ILE A 41 -3.429 -4.925 4.258 1.00 0.00 N ATOM 575 CA ILE A 41 -3.219 -3.531 4.671 1.00 0.00 C ATOM 576 C ILE A 41 -2.218 -3.404 5.828 1.00 0.00 C ATOM 577 O ILE A 41 -1.438 -2.453 5.850 1.00 0.00 O ATOM 578 CB ILE A 41 -4.564 -2.833 4.976 1.00 0.00 C ATOM 579 CG1 ILE A 41 -4.365 -1.306 5.123 1.00 0.00 C ATOM 580 CG2 ILE A 41 -5.242 -3.413 6.230 1.00 0.00 C ATOM 581 CD1 ILE A 41 -5.673 -0.509 5.195 1.00 0.00 C ATOM 0 H ILE A 41 -4.412 -5.192 4.212 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.765 -3.009 3.828 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.226 -3.021 4.131 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.783 -1.111 6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.777 -0.944 4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.184 -2.894 6.408 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.436 -4.475 6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.587 -3.281 7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.447 0.552 5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.249 -0.671 4.284 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.254 -0.841 6.055 1.00 0.00 H new ATOM 593 N PHE A 42 -2.190 -4.371 6.751 1.00 0.00 N ATOM 594 CA PHE A 42 -1.290 -4.361 7.901 1.00 0.00 C ATOM 595 C PHE A 42 0.187 -4.327 7.502 1.00 0.00 C ATOM 596 O PHE A 42 1.015 -3.911 8.314 1.00 0.00 O ATOM 597 CB PHE A 42 -1.574 -5.561 8.811 1.00 0.00 C ATOM 598 CG PHE A 42 -3.001 -5.627 9.314 1.00 0.00 C ATOM 599 CD1 PHE A 42 -3.411 -4.823 10.391 1.00 0.00 C ATOM 600 CD2 PHE A 42 -3.926 -6.484 8.690 1.00 0.00 C ATOM 601 CE1 PHE A 42 -4.738 -4.889 10.848 1.00 0.00 C ATOM 602 CE2 PHE A 42 -5.254 -6.543 9.141 1.00 0.00 C ATOM 603 CZ PHE A 42 -5.659 -5.754 10.229 1.00 0.00 C ATOM 0 H PHE A 42 -2.799 -5.189 6.717 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.487 -3.438 8.447 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.348 -6.478 8.267 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.899 -5.523 9.666 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.708 -4.156 10.867 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.613 -7.100 7.860 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.052 -4.273 11.678 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.963 -7.194 8.652 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.675 -5.811 10.590 1.00 0.00 H new ATOM 613 N ASN A 43 0.536 -4.768 6.285 1.00 0.00 N ATOM 614 CA ASN A 43 1.913 -4.755 5.793 1.00 0.00 C ATOM 615 C ASN A 43 2.193 -3.510 4.969 1.00 0.00 C ATOM 616 O ASN A 43 3.365 -3.201 4.781 1.00 0.00 O ATOM 617 CB ASN A 43 2.296 -6.033 5.054 1.00 0.00 C ATOM 618 CG ASN A 43 1.682 -6.199 3.675 1.00 0.00 C ATOM 619 OD1 ASN A 43 1.901 -5.410 2.759 1.00 0.00 O ATOM 620 ND2 ASN A 43 0.921 -7.260 3.491 1.00 0.00 N ATOM 0 H ASN A 43 -0.135 -5.144 5.615 1.00 0.00 H new ATOM 0 HA ASN A 43 2.557 -4.720 6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.381 -6.064 4.956 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.007 -6.887 5.667 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.504 -7.436 2.577 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.750 -7.905 4.263 1.00 0.00 H new ATOM 627 N LEU A 44 1.164 -2.815 4.463 1.00 0.00 N ATOM 628 CA LEU A 44 1.367 -1.570 3.718 1.00 0.00 C ATOM 629 C LEU A 44 1.763 -0.512 4.739 1.00 0.00 C ATOM 630 O LEU A 44 2.488 0.435 4.432 1.00 0.00 O ATOM 631 CB LEU A 44 0.082 -1.029 3.072 1.00 0.00 C ATOM 632 CG LEU A 44 -0.431 -1.770 1.841 1.00 0.00 C ATOM 633 CD1 LEU A 44 -1.763 -1.121 1.443 1.00 0.00 C ATOM 634 CD2 LEU A 44 0.555 -1.713 0.669 1.00 0.00 C ATOM 0 H LEU A 44 0.188 -3.095 4.557 1.00 0.00 H new ATOM 0 HA LEU A 44 2.101 -1.772 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.706 -1.035 3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.252 0.012 2.796 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.555 -2.825 2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.164 -1.624 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.471 -1.210 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.601 -0.067 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.141 -2.255 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.726 -0.674 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.500 -2.169 0.966 1.00 0.00 H new ATOM 646 N VAL A 45 1.197 -0.623 5.938 1.00 0.00 N ATOM 647 CA VAL A 45 1.464 0.292 7.023 1.00 0.00 C ATOM 648 C VAL A 45 2.936 0.101 7.368 1.00 0.00 C ATOM 649 O VAL A 45 3.415 -1.021 7.514 1.00 0.00 O ATOM 650 CB VAL A 45 0.481 0.014 8.170 1.00 0.00 C ATOM 651 CG1 VAL A 45 0.843 0.818 9.419 1.00 0.00 C ATOM 652 CG2 VAL A 45 -0.943 0.395 7.743 1.00 0.00 C ATOM 0 H VAL A 45 0.535 -1.361 6.177 1.00 0.00 H new ATOM 0 HA VAL A 45 1.306 1.342 6.775 1.00 0.00 H new ATOM 0 HB VAL A 45 0.538 -1.050 8.402 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.128 0.599 10.212 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.846 0.546 9.749 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.813 1.883 9.188 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.634 0.195 8.562 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.976 1.455 7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.232 -0.194 6.872 1.00 0.00 H new ATOM 662 N GLY A 46 3.669 1.203 7.462 1.00 0.00 N ATOM 663 CA GLY A 46 5.084 1.215 7.766 1.00 0.00 C ATOM 664 C GLY A 46 5.953 1.234 6.508 1.00 0.00 C ATOM 665 O GLY A 46 7.155 1.478 6.637 1.00 0.00 O ATOM 0 H GLY A 46 3.280 2.136 7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.314 2.089 8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.332 0.336 8.362 1.00 0.00 H new ATOM 669 N LYS A 47 5.394 0.982 5.312 1.00 0.00 N ATOM 670 CA LYS A 47 6.171 1.009 4.069 1.00 0.00 C ATOM 671 C LYS A 47 6.451 2.457 3.671 1.00 0.00 C ATOM 672 O LYS A 47 5.856 3.366 4.241 1.00 0.00 O ATOM 673 CB LYS A 47 5.453 0.290 2.926 1.00 0.00 C ATOM 674 CG LYS A 47 5.175 -1.182 3.198 1.00 0.00 C ATOM 675 CD LYS A 47 4.854 -1.912 1.886 1.00 0.00 C ATOM 676 CE LYS A 47 4.979 -3.429 2.040 1.00 0.00 C ATOM 677 NZ LYS A 47 5.193 -4.088 0.735 1.00 0.00 N ATOM 0 H LYS A 47 4.407 0.758 5.184 1.00 0.00 H new ATOM 0 HA LYS A 47 7.107 0.482 4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.509 0.797 2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.056 0.374 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.041 -1.641 3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.339 -1.280 3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.843 -1.660 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.530 -1.568 1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.809 -3.661 2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.076 -3.825 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.375 -5.101 0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.345 -3.971 0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.010 -3.656 0.258 1.00 0.00 H new ATOM 691 N LYS A 48 7.264 2.700 2.641 1.00 0.00 N ATOM 692 CA LYS A 48 7.633 4.029 2.153 1.00 0.00 C ATOM 693 C LYS A 48 7.350 4.103 0.660 1.00 0.00 C ATOM 694 O LYS A 48 8.097 3.492 -0.110 1.00 0.00 O ATOM 695 CB LYS A 48 9.120 4.236 2.449 1.00 0.00 C ATOM 696 CG LYS A 48 9.546 5.704 2.299 1.00 0.00 C ATOM 697 CD LYS A 48 9.830 6.356 3.654 1.00 0.00 C ATOM 698 CE LYS A 48 11.120 5.798 4.276 1.00 0.00 C ATOM 699 NZ LYS A 48 11.575 6.539 5.474 1.00 0.00 N ATOM 0 H LYS A 48 7.699 1.949 2.105 1.00 0.00 H new ATOM 0 HA LYS A 48 7.056 4.812 2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.337 3.899 3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.712 3.618 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.437 5.762 1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.761 6.259 1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.919 7.435 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.992 6.181 4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.960 4.754 4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.911 5.817 3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.448 6.107 5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.759 7.531 5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.838 6.501 6.207 1.00 0.00 H new ATOM 713 N VAL A 49 6.249 4.730 0.243 1.00 0.00 N ATOM 714 CA VAL A 49 5.858 4.841 -1.171 1.00 0.00 C ATOM 715 C VAL A 49 7.046 5.179 -2.085 1.00 0.00 C ATOM 716 O VAL A 49 7.931 5.961 -1.713 1.00 0.00 O ATOM 717 CB VAL A 49 4.739 5.883 -1.353 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.398 5.349 -0.855 1.00 0.00 C ATOM 719 CG2 VAL A 49 5.032 7.212 -0.643 1.00 0.00 C ATOM 0 H VAL A 49 5.594 5.181 0.881 1.00 0.00 H new ATOM 0 HA VAL A 49 5.485 3.860 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 49 4.692 6.073 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.629 6.108 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.132 4.453 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.475 5.104 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.206 7.903 -0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.147 7.035 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.951 7.642 -1.041 1.00 0.00 H new ATOM 729 N LEU A 50 7.064 4.558 -3.264 1.00 0.00 N ATOM 730 CA LEU A 50 8.105 4.729 -4.272 1.00 0.00 C ATOM 731 C LEU A 50 7.826 5.916 -5.201 1.00 0.00 C ATOM 732 O LEU A 50 8.749 6.407 -5.858 1.00 0.00 O ATOM 733 CB LEU A 50 8.179 3.451 -5.130 1.00 0.00 C ATOM 734 CG LEU A 50 8.672 2.190 -4.393 1.00 0.00 C ATOM 735 CD1 LEU A 50 8.475 0.958 -5.283 1.00 0.00 C ATOM 736 CD2 LEU A 50 10.153 2.302 -4.003 1.00 0.00 C ATOM 0 H LEU A 50 6.335 3.905 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 50 9.043 4.919 -3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.189 3.249 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.840 3.639 -5.976 1.00 0.00 H new ATOM 0 HG LEU A 50 8.086 2.091 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.825 0.070 -4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.417 0.846 -5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.043 1.081 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.463 1.394 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.757 2.432 -4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.292 3.160 -3.345 1.00 0.00 H new ATOM 748 N VAL A 51 6.573 6.371 -5.266 1.00 0.00 N ATOM 749 CA VAL A 51 6.098 7.469 -6.097 1.00 0.00 C ATOM 750 C VAL A 51 5.026 8.224 -5.313 1.00 0.00 C ATOM 751 O VAL A 51 4.579 7.757 -4.262 1.00 0.00 O ATOM 752 CB VAL A 51 5.537 6.923 -7.432 1.00 0.00 C ATOM 753 CG1 VAL A 51 6.610 6.220 -8.272 1.00 0.00 C ATOM 754 CG2 VAL A 51 4.363 5.951 -7.241 1.00 0.00 C ATOM 0 H VAL A 51 5.825 5.958 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 51 6.915 8.147 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 51 5.180 7.808 -7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.166 5.855 -9.198 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.409 6.924 -8.505 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.019 5.380 -7.710 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.016 5.604 -8.214 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.690 5.097 -6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.549 6.461 -6.725 1.00 0.00 H new ATOM 764 N THR A 52 4.667 9.425 -5.760 1.00 0.00 N ATOM 765 CA THR A 52 3.643 10.217 -5.106 1.00 0.00 C ATOM 766 C THR A 52 2.306 9.604 -5.494 1.00 0.00 C ATOM 767 O THR A 52 2.106 9.237 -6.652 1.00 0.00 O ATOM 768 CB THR A 52 3.754 11.680 -5.543 1.00 0.00 C ATOM 769 OG1 THR A 52 5.033 12.149 -5.142 1.00 0.00 O ATOM 770 CG2 THR A 52 2.655 12.574 -4.961 1.00 0.00 C ATOM 0 H THR A 52 5.078 9.869 -6.581 1.00 0.00 H new ATOM 0 HA THR A 52 3.753 10.210 -4.022 1.00 0.00 H new ATOM 0 HB THR A 52 3.628 11.728 -6.625 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.137 13.086 -5.410 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.794 13.597 -5.311 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.680 12.209 -5.284 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.707 12.553 -3.872 1.00 0.00 H new ATOM 778 N VAL A 53 1.410 9.513 -4.526 1.00 0.00 N ATOM 779 CA VAL A 53 0.075 8.963 -4.674 1.00 0.00 C ATOM 780 C VAL A 53 -0.890 10.085 -4.314 1.00 0.00 C ATOM 781 O VAL A 53 -0.716 10.735 -3.284 1.00 0.00 O ATOM 782 CB VAL A 53 -0.073 7.734 -3.757 1.00 0.00 C ATOM 783 CG1 VAL A 53 -1.469 7.137 -3.866 1.00 0.00 C ATOM 784 CG2 VAL A 53 0.982 6.651 -4.037 1.00 0.00 C ATOM 0 H VAL A 53 1.602 9.834 -3.577 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.131 8.618 -5.687 1.00 0.00 H new ATOM 0 HB VAL A 53 0.089 8.092 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.547 6.271 -3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.208 7.883 -3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.654 6.829 -4.895 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.828 5.810 -3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.888 6.310 -5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.978 7.065 -3.881 1.00 0.00 H new ATOM 794 N GLU A 54 -1.866 10.376 -5.168 1.00 0.00 N ATOM 795 CA GLU A 54 -2.834 11.426 -4.886 1.00 0.00 C ATOM 796 C GLU A 54 -3.847 10.956 -3.845 1.00 0.00 C ATOM 797 O GLU A 54 -3.830 9.816 -3.385 1.00 0.00 O ATOM 798 CB GLU A 54 -3.574 11.827 -6.163 1.00 0.00 C ATOM 799 CG GLU A 54 -2.635 12.319 -7.259 1.00 0.00 C ATOM 800 CD GLU A 54 -3.473 12.865 -8.402 1.00 0.00 C ATOM 801 OE1 GLU A 54 -3.883 12.053 -9.266 1.00 0.00 O ATOM 802 OE2 GLU A 54 -3.720 14.092 -8.382 1.00 0.00 O ATOM 0 H GLU A 54 -2.006 9.900 -6.059 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.292 12.288 -4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.141 10.973 -6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.295 12.611 -5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.973 13.093 -6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.002 11.504 -7.609 1.00 0.00 H new ATOM 809 N GLU A 55 -4.705 11.872 -3.414 1.00 0.00 N ATOM 810 CA GLU A 55 -5.743 11.553 -2.455 1.00 0.00 C ATOM 811 C GLU A 55 -6.748 10.663 -3.184 1.00 0.00 C ATOM 812 O GLU A 55 -7.015 10.870 -4.368 1.00 0.00 O ATOM 813 CB GLU A 55 -6.409 12.850 -1.982 1.00 0.00 C ATOM 814 CG GLU A 55 -7.720 12.582 -1.228 1.00 0.00 C ATOM 815 CD GLU A 55 -8.369 13.828 -0.649 1.00 0.00 C ATOM 816 OE1 GLU A 55 -8.030 14.968 -1.051 1.00 0.00 O ATOM 817 OE2 GLU A 55 -9.247 13.662 0.226 1.00 0.00 O ATOM 0 H GLU A 55 -4.698 12.846 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.346 11.042 -1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.723 13.394 -1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.609 13.489 -2.842 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.424 12.100 -1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.524 11.878 -0.419 1.00 0.00 H new ATOM 824 N ASP A 56 -7.342 9.711 -2.468 1.00 0.00 N ATOM 825 CA ASP A 56 -8.339 8.770 -2.976 1.00 0.00 C ATOM 826 C ASP A 56 -7.855 7.906 -4.147 1.00 0.00 C ATOM 827 O ASP A 56 -8.626 7.144 -4.740 1.00 0.00 O ATOM 828 CB ASP A 56 -9.723 9.435 -3.100 1.00 0.00 C ATOM 829 CG ASP A 56 -10.026 10.239 -4.360 1.00 0.00 C ATOM 830 OD1 ASP A 56 -10.464 9.650 -5.374 1.00 0.00 O ATOM 831 OD2 ASP A 56 -10.032 11.490 -4.283 1.00 0.00 O ATOM 0 H ASP A 56 -7.134 9.568 -1.480 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.489 7.995 -2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.477 8.653 -3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.852 10.097 -2.244 1.00 0.00 H new ATOM 836 N ASP A 57 -6.557 7.982 -4.452 1.00 0.00 N ATOM 837 CA ASP A 57 -5.905 7.220 -5.501 1.00 0.00 C ATOM 838 C ASP A 57 -5.777 5.789 -4.982 1.00 0.00 C ATOM 839 O ASP A 57 -5.807 5.544 -3.771 1.00 0.00 O ATOM 840 CB ASP A 57 -4.529 7.796 -5.834 1.00 0.00 C ATOM 841 CG ASP A 57 -4.074 7.326 -7.211 1.00 0.00 C ATOM 842 OD1 ASP A 57 -4.685 7.743 -8.224 1.00 0.00 O ATOM 843 OD2 ASP A 57 -3.159 6.483 -7.283 1.00 0.00 O ATOM 0 H ASP A 57 -5.916 8.599 -3.954 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.488 7.258 -6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.568 8.885 -5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.806 7.486 -5.080 1.00 0.00 H new ATOM 848 N THR A 58 -5.619 4.817 -5.863 1.00 0.00 N ATOM 849 CA THR A 58 -5.535 3.429 -5.461 1.00 0.00 C ATOM 850 C THR A 58 -4.122 3.033 -5.060 1.00 0.00 C ATOM 851 O THR A 58 -3.159 3.280 -5.790 1.00 0.00 O ATOM 852 CB THR A 58 -6.087 2.579 -6.600 1.00 0.00 C ATOM 853 OG1 THR A 58 -7.336 3.102 -7.015 1.00 0.00 O ATOM 854 CG2 THR A 58 -6.300 1.153 -6.120 1.00 0.00 C ATOM 0 H THR A 58 -5.546 4.968 -6.869 1.00 0.00 H new ATOM 0 HA THR A 58 -6.134 3.263 -4.565 1.00 0.00 H new ATOM 0 HB THR A 58 -5.378 2.591 -7.427 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.691 2.558 -7.748 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.695 0.549 -6.937 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.350 0.736 -5.786 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.009 1.150 -5.292 1.00 0.00 H new ATOM 862 N ILE A 59 -3.984 2.464 -3.862 1.00 0.00 N ATOM 863 CA ILE A 59 -2.701 2.008 -3.360 1.00 0.00 C ATOM 864 C ILE A 59 -2.534 0.612 -3.961 1.00 0.00 C ATOM 865 O ILE A 59 -3.472 -0.194 -3.941 1.00 0.00 O ATOM 866 CB ILE A 59 -2.689 2.015 -1.816 1.00 0.00 C ATOM 867 CG1 ILE A 59 -2.833 3.451 -1.254 1.00 0.00 C ATOM 868 CG2 ILE A 59 -1.433 1.324 -1.251 1.00 0.00 C ATOM 869 CD1 ILE A 59 -1.541 4.280 -1.227 1.00 0.00 C ATOM 0 H ILE A 59 -4.760 2.310 -3.219 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.869 2.653 -3.643 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.555 1.440 -1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.574 3.984 -1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.226 3.388 -0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.462 1.350 -0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.405 0.288 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.542 1.845 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.751 5.268 -0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.800 3.778 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.154 4.383 -2.241 1.00 0.00 H new ATOM 881 N MET A 60 -1.347 0.312 -4.488 1.00 0.00 N ATOM 882 CA MET A 60 -1.062 -0.969 -5.113 1.00 0.00 C ATOM 883 C MET A 60 0.346 -1.427 -4.777 1.00 0.00 C ATOM 884 O MET A 60 1.206 -0.603 -4.466 1.00 0.00 O ATOM 885 CB MET A 60 -1.163 -0.820 -6.631 1.00 0.00 C ATOM 886 CG MET A 60 -2.497 -0.247 -7.108 1.00 0.00 C ATOM 887 SD MET A 60 -2.693 -0.317 -8.897 1.00 0.00 S ATOM 888 CE MET A 60 -2.804 -2.110 -9.102 1.00 0.00 C ATOM 0 H MET A 60 -0.556 0.957 -4.491 1.00 0.00 H new ATOM 0 HA MET A 60 -1.781 -1.701 -4.744 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.356 -0.174 -6.978 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.011 -1.795 -7.093 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.312 -0.797 -6.637 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.580 0.789 -6.779 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.336 -2.338 -10.026 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.801 -2.534 -9.146 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.343 -2.540 -8.258 1.00 0.00 H new ATOM 898 N GLU A 61 0.592 -2.729 -4.922 1.00 0.00 N ATOM 899 CA GLU A 61 1.880 -3.377 -4.658 1.00 0.00 C ATOM 900 C GLU A 61 3.003 -2.848 -5.556 1.00 0.00 C ATOM 901 O GLU A 61 4.176 -2.989 -5.225 1.00 0.00 O ATOM 902 CB GLU A 61 1.724 -4.900 -4.806 1.00 0.00 C ATOM 903 CG GLU A 61 1.516 -5.398 -6.246 1.00 0.00 C ATOM 904 CD GLU A 61 0.961 -6.823 -6.244 1.00 0.00 C ATOM 905 OE1 GLU A 61 1.699 -7.779 -5.924 1.00 0.00 O ATOM 906 OE2 GLU A 61 -0.262 -6.994 -6.478 1.00 0.00 O ATOM 0 H GLU A 61 -0.123 -3.385 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 61 2.173 -3.137 -3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.612 -5.382 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.877 -5.223 -4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.829 -4.734 -6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.462 -5.370 -6.787 1.00 0.00 H new ATOM 913 N GLU A 62 2.660 -2.237 -6.690 1.00 0.00 N ATOM 914 CA GLU A 62 3.610 -1.672 -7.644 1.00 0.00 C ATOM 915 C GLU A 62 4.094 -0.275 -7.225 1.00 0.00 C ATOM 916 O GLU A 62 5.077 0.214 -7.778 1.00 0.00 O ATOM 917 CB GLU A 62 2.984 -1.669 -9.052 1.00 0.00 C ATOM 918 CG GLU A 62 1.635 -0.940 -9.153 1.00 0.00 C ATOM 919 CD GLU A 62 1.056 -1.042 -10.563 1.00 0.00 C ATOM 920 OE1 GLU A 62 0.345 -2.027 -10.866 1.00 0.00 O ATOM 921 OE2 GLU A 62 1.340 -0.160 -11.403 1.00 0.00 O ATOM 0 H GLU A 62 1.688 -2.119 -6.976 1.00 0.00 H new ATOM 0 HA GLU A 62 4.500 -2.301 -7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.685 -1.205 -9.746 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.849 -2.701 -9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.933 -1.368 -8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.764 0.109 -8.885 1.00 0.00 H new ATOM 928 N LEU A 63 3.443 0.360 -6.245 1.00 0.00 N ATOM 929 CA LEU A 63 3.789 1.699 -5.753 1.00 0.00 C ATOM 930 C LEU A 63 4.530 1.630 -4.414 1.00 0.00 C ATOM 931 O LEU A 63 4.868 2.674 -3.843 1.00 0.00 O ATOM 932 CB LEU A 63 2.515 2.552 -5.567 1.00 0.00 C ATOM 933 CG LEU A 63 1.510 2.531 -6.736 1.00 0.00 C ATOM 934 CD1 LEU A 63 0.261 3.335 -6.366 1.00 0.00 C ATOM 935 CD2 LEU A 63 2.087 3.070 -8.047 1.00 0.00 C ATOM 0 H LEU A 63 2.644 -0.050 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 63 4.441 2.156 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.002 2.212 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.816 3.585 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 63 1.260 1.484 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.444 3.315 -7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.206 2.897 -5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.542 4.366 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.325 3.025 -8.825 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.403 4.104 -7.908 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.944 2.465 -8.343 1.00 0.00 H new ATOM 947 N VAL A 64 4.768 0.429 -3.879 1.00 0.00 N ATOM 948 CA VAL A 64 5.438 0.245 -2.604 1.00 0.00 C ATOM 949 C VAL A 64 6.543 -0.804 -2.675 1.00 0.00 C ATOM 950 O VAL A 64 6.487 -1.767 -3.438 1.00 0.00 O ATOM 951 CB VAL A 64 4.403 -0.068 -1.500 1.00 0.00 C ATOM 952 CG1 VAL A 64 3.529 1.148 -1.151 1.00 0.00 C ATOM 953 CG2 VAL A 64 3.480 -1.231 -1.844 1.00 0.00 C ATOM 0 H VAL A 64 4.496 -0.445 -4.328 1.00 0.00 H new ATOM 0 HA VAL A 64 5.936 1.180 -2.347 1.00 0.00 H new ATOM 0 HB VAL A 64 5.011 -0.346 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.819 0.874 -0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.162 1.961 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.985 1.472 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.780 -1.395 -1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.926 -0.999 -2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.073 -2.132 -2.000 1.00 0.00 H new ATOM 963 N ASP A 65 7.575 -0.566 -1.875 1.00 0.00 N ATOM 964 CA ASP A 65 8.756 -1.384 -1.723 1.00 0.00 C ATOM 965 C ASP A 65 8.474 -2.538 -0.773 1.00 0.00 C ATOM 966 O ASP A 65 7.511 -2.522 0.006 1.00 0.00 O ATOM 967 CB ASP A 65 9.873 -0.546 -1.079 1.00 0.00 C ATOM 968 CG ASP A 65 11.239 -1.200 -1.254 1.00 0.00 C ATOM 969 OD1 ASP A 65 11.531 -1.700 -2.360 1.00 0.00 O ATOM 970 OD2 ASP A 65 12.047 -1.178 -0.300 1.00 0.00 O ATOM 0 H ASP A 65 7.604 0.261 -1.278 1.00 0.00 H new ATOM 0 HA ASP A 65 9.046 -1.754 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.886 0.448 -1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.665 -0.416 -0.017 1.00 0.00 H new